-
1
-
-
21544474149
-
Structural biology and drug discovery
-
A very thorough review and up-to-date description of the utility of structural biology in drug discovery.
-
Congreve M., Murray C.W., and Blundell T.L. Structural biology and drug discovery. Drug Discov Today 10 (2005) 895-907. A very thorough review and up-to-date description of the utility of structural biology in drug discovery.
-
(2005)
Drug Discov Today
, vol.10
, pp. 895-907
-
-
Congreve, M.1
Murray, C.W.2
Blundell, T.L.3
-
2
-
-
31144467558
-
The impact of structural genomics: expectations and outcomes
-
A quantitative evaluation of the impact of structural genomics on structural biology.
-
Chandonia J.M., and Brenner S.E. The impact of structural genomics: expectations and outcomes. Science 311 (2006) 347-351. A quantitative evaluation of the impact of structural genomics on structural biology.
-
(2006)
Science
, vol.311
, pp. 347-351
-
-
Chandonia, J.M.1
Brenner, S.E.2
-
3
-
-
37249076974
-
The scientific impact of the Structural Genomics Consortium: a protein family and ligand-centered approach to medically-relevant human proteins
-
Gileadi O., Knapp S., Lee W.H., Marsden B.D., Muller S., Niesen F.H., Kavanagh K.L., Ball L.J., von Delft F., Doyle D.A., et al. The scientific impact of the Structural Genomics Consortium: a protein family and ligand-centered approach to medically-relevant human proteins. J Struct Funct Genomics 8 (2007) 107-119
-
(2007)
J Struct Funct Genomics
, vol.8
, pp. 107-119
-
-
Gileadi, O.1
Knapp, S.2
Lee, W.H.3
Marsden, B.D.4
Muller, S.5
Niesen, F.H.6
Kavanagh, K.L.7
Ball, L.J.8
von Delft, F.9
Doyle, D.A.10
-
4
-
-
33846045025
-
RIKEN aids international structural genomics efforts
-
Yokoyama S., Terwilliger T.C., Kuramitsu S., Moras D., and Sussman J.L. RIKEN aids international structural genomics efforts. Nature 445 (2007) 21
-
(2007)
Nature
, vol.445
, pp. 21
-
-
Yokoyama, S.1
Terwilliger, T.C.2
Kuramitsu, S.3
Moras, D.4
Sussman, J.L.5
-
5
-
-
34249891085
-
Protein structure initiative: getting into gear
-
Matthews B.W. Protein structure initiative: getting into gear. Nat Struct Mol Biol 14 (2007) 459-460
-
(2007)
Nat Struct Mol Biol
, vol.14
, pp. 459-460
-
-
Matthews, B.W.1
-
6
-
-
36749069744
-
Structural genomics as an approach towards understanding the biology of tuberculosis
-
Baker E.N. Structural genomics as an approach towards understanding the biology of tuberculosis. J Struct Funct Genomics 8 (2007) 57-65
-
(2007)
J Struct Funct Genomics
, vol.8
, pp. 57-65
-
-
Baker, E.N.1
-
7
-
-
40849115207
-
-
Coutard B, Gorbalenya S, Snijder E, Leontovich A, Poupon A, De Lamballerie X, Charrel R, Gould E, Gunther S, Norder H, et al.: The VIZIER project: preparedness against pathogenic RNA viruses. Antiviral Res 2007, Nov 29 [Epub ahead of print]
-
Coutard B, Gorbalenya S, Snijder E, Leontovich A, Poupon A, De Lamballerie X, Charrel R, Gould E, Gunther S, Norder H, et al.: The VIZIER project: preparedness against pathogenic RNA viruses. Antiviral Res 2007, Nov 29 [Epub ahead of print]. Description of the gene family approach as applied to known and emerging human viral pathogens. This project focuses on conserved viral replicases using structural biology and pre-lead discovery to propose active scaffolds for antiviral compounds.
-
-
-
-
8
-
-
12844269343
-
Structure-based drug discovery for Plasmodium falciparum
-
Mehlin C. Structure-based drug discovery for Plasmodium falciparum. Comb Chem High Throughput Screen 8 (2005) 5-14
-
(2005)
Comb Chem High Throughput Screen
, vol.8
, pp. 5-14
-
-
Mehlin, C.1
-
9
-
-
33845482665
-
Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms
-
Vedadi M., Lew J., Artz J., Amani M., Zhao Y., Dong A., Wasney G.A., Gao M., Hills T., Brokx S., et al. Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol Biochem Parasitol 151 (2007) 100-110
-
(2007)
Mol Biochem Parasitol
, vol.151
, pp. 100-110
-
-
Vedadi, M.1
Lew, J.2
Artz, J.3
Amani, M.4
Zhao, Y.5
Dong, A.6
Wasney, G.A.7
Gao, M.8
Hills, T.9
Brokx, S.10
-
10
-
-
35348922285
-
Fragment-based screening using X-ray crystallography and NMR spectroscopy
-
This review describes current developments in fragment-based screening, an approach that relies heavily on structural information as well as structural genomics technologies, as a tool for drug discovery.
-
Jhoti H., Cleasby A., Verdonk M., and Williams G. Fragment-based screening using X-ray crystallography and NMR spectroscopy. Curr Opin Chem Biol 11 (2007) 485-493. This review describes current developments in fragment-based screening, an approach that relies heavily on structural information as well as structural genomics technologies, as a tool for drug discovery.
-
(2007)
Curr Opin Chem Biol
, vol.11
, pp. 485-493
-
-
Jhoti, H.1
Cleasby, A.2
Verdonk, M.3
Williams, G.4
-
11
-
-
33644876210
-
DrugBank: a comprehensive resource for in silico drug discovery and exploration
-
Wishart D.S., Knox C., Guo A.C., Shrivastava S., Hassanali M., Stothard P., Chang Z., and Woolsey J. DrugBank: a comprehensive resource for in silico drug discovery and exploration. Nucleic Acids Res 34 (2006) D668-D672
-
(2006)
Nucleic Acids Res
, vol.34
-
-
Wishart, D.S.1
Knox, C.2
Guo, A.C.3
Shrivastava, S.4
Hassanali, M.5
Stothard, P.6
Chang, Z.7
Woolsey, J.8
-
12
-
-
32344452680
-
Disseminating structural genomics data to the public: from a data dump to an animated story
-
Abagyan R., Lee W.H., Raush E., Budagyan L., Totrov M., Sundstrom M., and Marsden B.D. Disseminating structural genomics data to the public: from a data dump to an animated story. Trends Biochem Sci 31 (2006) 76-78
-
(2006)
Trends Biochem Sci
, vol.31
, pp. 76-78
-
-
Abagyan, R.1
Lee, W.H.2
Raush, E.3
Budagyan, L.4
Totrov, M.5
Sundstrom, M.6
Marsden, B.D.7
-
13
-
-
33846021632
-
Amino-terminal dimerization, NRDP1-rhodanese interaction, and inhibited catalytic domain conformation of the ubiquitin-specific protease 8 (USP8)
-
Avvakumov G.V., Walker J.R., Xue S., Finerty Jr. P.J., Mackenzie F., Newman E.M., and Dhe-Paganon S. Amino-terminal dimerization, NRDP1-rhodanese interaction, and inhibited catalytic domain conformation of the ubiquitin-specific protease 8 (USP8). J Biol Chem 281 (2006) 38061-38070
-
(2006)
J Biol Chem
, vol.281
, pp. 38061-38070
-
-
Avvakumov, G.V.1
Walker, J.R.2
Xue, S.3
Finerty Jr., P.J.4
Mackenzie, F.5
Newman, E.M.6
Dhe-Paganon, S.7
-
14
-
-
33846303512
-
Structure of aspartoacylase, the brain enzyme impaired in Canavan disease
-
Bitto E., Bingman C.A., Wesenberg G.E., McCoy J.G., and Phillips Jr. G.N. Structure of aspartoacylase, the brain enzyme impaired in Canavan disease. Proc Natl Acad Sci U S A 104 (2007) 456-461
-
(2007)
Proc Natl Acad Sci U S A
, vol.104
, pp. 456-461
-
-
Bitto, E.1
Bingman, C.A.2
Wesenberg, G.E.3
McCoy, J.G.4
Phillips Jr., G.N.5
-
15
-
-
28144464847
-
Structural basis of inhibitor specificity of the human protooncogene proviral insertion site in moloney murine leukemia virus (PIM-1) kinase
-
A prime example of highly significant information being provided by structural genomics. This paper contains a description of the structure of a key target and its interaction with inhibitors.
-
Bullock A.N., Debreczeni J.E., Fedorov O.Y., Nelson A., Marsden B.D., and Knapp S. Structural basis of inhibitor specificity of the human protooncogene proviral insertion site in moloney murine leukemia virus (PIM-1) kinase. J Med Chem 48 (2005) 7604-7614. A prime example of highly significant information being provided by structural genomics. This paper contains a description of the structure of a key target and its interaction with inhibitors.
-
(2005)
J Med Chem
, vol.48
, pp. 7604-7614
-
-
Bullock, A.N.1
Debreczeni, J.E.2
Fedorov, O.Y.3
Nelson, A.4
Marsden, B.D.5
Knapp, S.6
-
16
-
-
35148827468
-
Structural and functional characterization of the human protein kinase ASK1
-
Bunkoczi G., Salah E., Filippakopoulos P., Fedorov O., Muller S., Sobott F., Parker S.A., Zhang H., Min W., Turk B.E., et al. Structural and functional characterization of the human protein kinase ASK1. Structure 15 (2007) 1215-1226
-
(2007)
Structure
, vol.15
, pp. 1215-1226
-
-
Bunkoczi, G.1
Salah, E.2
Filippakopoulos, P.3
Fedorov, O.4
Muller, S.5
Sobott, F.6
Parker, S.A.7
Zhang, H.8
Min, W.9
Turk, B.E.10
-
17
-
-
17144408302
-
The crystal structure of Rv1347c, a putative antibiotic resistance protein from Mycobacterium tuberculosis, reveals a GCN5-related fold and suggests an alternative function in siderophore biosynthesis
-
This structure of this protein indicates an alternative annotation and suggests it may be a good TB target.
-
Card G.L., Peterson N.A., Smith C.A., Rupp B., Schick B.M., and Baker E.N. The crystal structure of Rv1347c, a putative antibiotic resistance protein from Mycobacterium tuberculosis, reveals a GCN5-related fold and suggests an alternative function in siderophore biosynthesis. J Biol Chem 280 (2005) 13978-13986. This structure of this protein indicates an alternative annotation and suggests it may be a good TB target.
-
(2005)
J Biol Chem
, vol.280
, pp. 13978-13986
-
-
Card, G.L.1
Peterson, N.A.2
Smith, C.A.3
Rupp, B.4
Schick, B.M.5
Baker, E.N.6
-
18
-
-
33846268347
-
The crystal structures of human calpains 1 and 9 imply diverse mechanisms of action and auto-inhibition
-
Davis T.L., Walker J.R., Finerty Jr. P.J., Mackenzie F., Newman E.M., and Dhe-Paganon S. The crystal structures of human calpains 1 and 9 imply diverse mechanisms of action and auto-inhibition. J Mol Biol 366 (2007) 216-229
-
(2007)
J Mol Biol
, vol.366
, pp. 216-229
-
-
Davis, T.L.1
Walker, J.R.2
Finerty Jr., P.J.3
Mackenzie, F.4
Newman, E.M.5
Dhe-Paganon, S.6
-
19
-
-
28644431836
-
Structural basis for UTP specificity of RNA editing TUTases from Trypanosoma brucei
-
Deng J., Ernst N.L., Turley S., Stuart K.D., and Hol W.G. Structural basis for UTP specificity of RNA editing TUTases from Trypanosoma brucei. EMBO J 24 (2005) 4007-4017
-
(2005)
EMBO J
, vol.24
, pp. 4007-4017
-
-
Deng, J.1
Ernst, N.L.2
Turley, S.3
Stuart, K.D.4
Hol, W.G.5
-
20
-
-
33846818859
-
Crystal Structures of the p21-activated kinases PAK4, PAK5, and PAK6 reveal catalytic domain plasticity of active group II PAKs
-
Eswaran J., Lee W.H., Debreczeni J.E., Filippakopoulos P., Turnbull A., Fedorov O., Deacon S.W., Peterson J.R., and Knapp S. Crystal Structures of the p21-activated kinases PAK4, PAK5, and PAK6 reveal catalytic domain plasticity of active group II PAKs. Structure 15 (2007) 201-213
-
(2007)
Structure
, vol.15
, pp. 201-213
-
-
Eswaran, J.1
Lee, W.H.2
Debreczeni, J.E.3
Filippakopoulos, P.4
Turnbull, A.5
Fedorov, O.6
Deacon, S.W.7
Peterson, J.R.8
Knapp, S.9
-
21
-
-
33646269261
-
Crystal structures and inhibitor identification for PTPN5, PTPRR and PTPN7: a family of human MAPK-specific protein tyrosine phosphatases
-
Eswaran J., von Kries J.P., Marsden B., Longman E., Debreczeni J.E., Ugochukwu E., Turnbull A., Lee W.H., Knapp S., and Barr A.J. Crystal structures and inhibitor identification for PTPN5, PTPRR and PTPN7: a family of human MAPK-specific protein tyrosine phosphatases. Biochem J 395 (2006) 483-491
-
(2006)
Biochem J
, vol.395
, pp. 483-491
-
-
Eswaran, J.1
von Kries, J.P.2
Marsden, B.3
Longman, E.4
Debreczeni, J.E.5
Ugochukwu, E.6
Turnbull, A.7
Lee, W.H.8
Knapp, S.9
Barr, A.J.10
-
22
-
-
34948897631
-
Crystal structures of human pantothenate kinases. Insights into allosteric regulation and mutations linked to a neurodegeneration disorder
-
Hong B.S., Senisterra G., Rabeh W.M., Vedadi M., Leonardi R., Zhang Y.M., Rock C.O., Jackowski S., and Park H.W. Crystal structures of human pantothenate kinases. Insights into allosteric regulation and mutations linked to a neurodegeneration disorder. J Biol Chem 282 (2007) 27984-27993
-
(2007)
J Biol Chem
, vol.282
, pp. 27984-27993
-
-
Hong, B.S.1
Senisterra, G.2
Rabeh, W.M.3
Vedadi, M.4
Leonardi, R.5
Zhang, Y.M.6
Rock, C.O.7
Jackowski, S.8
Park, H.W.9
-
23
-
-
23844434045
-
Structure of pyrR (Rv1379) from Mycobacterium tuberculosis: a persistence gene and protein drug target
-
Kantardjieff K.A., Vasquez C., Castro P., Warfel N.M., Rho B.S., Lekin T., Kim C.Y., Segelke B.W., Terwilliger T.C., and Rupp B. Structure of pyrR (Rv1379) from Mycobacterium tuberculosis: a persistence gene and protein drug target. Acta Crystallogr D Biol Crystallogr 61 (2005) 355-364
-
(2005)
Acta Crystallogr D Biol Crystallogr
, vol.61
, pp. 355-364
-
-
Kantardjieff, K.A.1
Vasquez, C.2
Castro, P.3
Warfel, N.M.4
Rho, B.S.5
Lekin, T.6
Kim, C.Y.7
Segelke, B.W.8
Terwilliger, T.C.9
Rupp, B.10
-
24
-
-
33746836518
-
The crystal structure of human geranylgeranyl pyrophosphate synthase reveals a novel hexameric arrangement and inhibitory product binding
-
Kavanagh K.L., Dunford J.E., Bunkoczi G., Russell R.G., and Oppermann U. The crystal structure of human geranylgeranyl pyrophosphate synthase reveals a novel hexameric arrangement and inhibitory product binding. J Biol Chem 281 (2006) 22004-22012
-
(2006)
J Biol Chem
, vol.281
, pp. 22004-22012
-
-
Kavanagh, K.L.1
Dunford, J.E.2
Bunkoczi, G.3
Russell, R.G.4
Oppermann, U.5
-
25
-
-
33646725498
-
The molecular mechanism of nitrogen-containing bisphosphonates as antiosteoporosis drugs
-
This paper concerns the structural interpretation of the inhibitory mechanism of a drug class, and provides clues for future development.
-
Kavanagh K.L., Guo K., Dunford J.E., Wu X., Knapp S., Ebetino F.H., Rogers M.J., Russell R.G., and Oppermann U. The molecular mechanism of nitrogen-containing bisphosphonates as antiosteoporosis drugs. Proc Natl Acad Sci U S A 103 (2006) 7829-7834. This paper concerns the structural interpretation of the inhibitory mechanism of a drug class, and provides clues for future development.
-
(2006)
Proc Natl Acad Sci U S A
, vol.103
, pp. 7829-7834
-
-
Kavanagh, K.L.1
Guo, K.2
Dunford, J.E.3
Wu, X.4
Knapp, S.5
Ebetino, F.H.6
Rogers, M.J.7
Russell, R.G.8
Oppermann, U.9
-
26
-
-
34547231214
-
Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
-
This paper reveals multiple binding modes for identical inhibitors with the same enzyme and across related enzymes.
-
Guo R.T., Cao R., Liang P.H., Ko T.P., Chang T.H., Hudock M.P., Jeng W.Y., Chen C.K., Zhang Y., Song Y., et al. Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases. Proc Natl Acad Sci U S A 104 (2007) 10022-10027. This paper reveals multiple binding modes for identical inhibitors with the same enzyme and across related enzymes.
-
(2007)
Proc Natl Acad Sci U S A
, vol.104
, pp. 10022-10027
-
-
Guo, R.T.1
Cao, R.2
Liang, P.H.3
Ko, T.P.4
Chang, T.H.5
Hudock, M.P.6
Jeng, W.Y.7
Chen, C.K.8
Zhang, Y.9
Song, Y.10
-
27
-
-
36349018892
-
Crystal structures of mammalian glutamine synthetases illustrate substrate-induced conformational changes and provide opportunities for drug and herbicide design
-
The structure of the human enzyme complements earlier work on the TB and maize enzymes, and provides a framework that can be utilized to develop TB specific drugs and/or non-toxic herbicides.
-
Krajewski W.W., Collins R., Holmberg-Schiavone L., Jones T.A., Karlberg T., and Mowbray S.L. Crystal structures of mammalian glutamine synthetases illustrate substrate-induced conformational changes and provide opportunities for drug and herbicide design. J Mol Biol 375 1 (2007) 217-228. The structure of the human enzyme complements earlier work on the TB and maize enzymes, and provides a framework that can be utilized to develop TB specific drugs and/or non-toxic herbicides.
-
(2007)
J Mol Biol
, vol.375
, Issue.1
, pp. 217-228
-
-
Krajewski, W.W.1
Collins, R.2
Holmberg-Schiavone, L.3
Jones, T.A.4
Karlberg, T.5
Mowbray, S.L.6
-
28
-
-
33745699187
-
Structure of the synthetase domain of human CTP synthetase, a target for anticancer therapy
-
Kursula P., Flodin S., Ehn M., Hammarstrom M., Schuler H., Nordlund P., and Stenmark P. Structure of the synthetase domain of human CTP synthetase, a target for anticancer therapy. Acta Crystallogr Sect F Struct Biol Cryst Commun 62 (2006) 613-617
-
(2006)
Acta Crystallogr Sect F Struct Biol Cryst Commun
, vol.62
, pp. 613-617
-
-
Kursula, P.1
Flodin, S.2
Ehn, M.3
Hammarstrom, M.4
Schuler, H.5
Nordlund, P.6
Stenmark, P.7
-
29
-
-
33750324298
-
Structures of the hydrolase domain of human 10-formyltetrahydrofolate dehydrogenase and its complex with a substrate analogue
-
Kursula P., Schuler H., Flodin S., Nilsson-Ehle P., Ogg D.J., Savitsky P., Nordlund P., and Stenmark P. Structures of the hydrolase domain of human 10-formyltetrahydrofolate dehydrogenase and its complex with a substrate analogue. Acta Crystallogr D Biol Crystallogr 62 (2006) 1294-1299
-
(2006)
Acta Crystallogr D Biol Crystallogr
, vol.62
, pp. 1294-1299
-
-
Kursula, P.1
Schuler, H.2
Flodin, S.3
Nilsson-Ehle, P.4
Ogg, D.J.5
Savitsky, P.6
Nordlund, P.7
Stenmark, P.8
-
30
-
-
35348920605
-
Virtual screening and bioassay study of novel inhibitors for dengue virus mRNA cap (nucleoside-2′O)-methyltransferase
-
Luzhkov V.B., Selisko B., Nordqvist A., Peyrane F., Decroly E., Alvarez K., Karlen A., Canard B., and Qvist J. Virtual screening and bioassay study of novel inhibitors for dengue virus mRNA cap (nucleoside-2′O)-methyltransferase. Bioorg Med Chem 15 (2007) 7795-7802
-
(2007)
Bioorg Med Chem
, vol.15
, pp. 7795-7802
-
-
Luzhkov, V.B.1
Selisko, B.2
Nordqvist, A.3
Peyrane, F.4
Decroly, E.5
Alvarez, K.6
Karlen, A.7
Canard, B.8
Qvist, J.9
-
31
-
-
34548161650
-
Activation of inhibitors by sortase triggers irreversible modification of the active site
-
Maresso A.W., Wu R., Kern J.W., Zhang R., Janik D., Missiakas D.M., Duban M.E., Joachimiak A., and Schneewind O. Activation of inhibitors by sortase triggers irreversible modification of the active site. J Biol Chem 282 (2007) 23129-23139
-
(2007)
J Biol Chem
, vol.282
, pp. 23129-23139
-
-
Maresso, A.W.1
Wu, R.2
Kern, J.W.3
Zhang, R.4
Janik, D.5
Missiakas, D.M.6
Duban, M.E.7
Joachimiak, A.8
Schneewind, O.9
-
32
-
-
34447133035
-
Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity
-
Histone demethylases are a newly recognized potential target family. The authors describe the structure of a ternary complex of a human demethylase which reveals why it reacts with a specific methyl mark, and serves as a template for future screening or drug design programs.
-
Ng S.S., Kavanagh K.L., McDonough M.A., Butler D., Pilka E.S., Lienard B.M., Bray J.E., Savitsky P., Gileadi O., von Delft F., et al. Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity. Nature 448 (2007) 87-91. Histone demethylases are a newly recognized potential target family. The authors describe the structure of a ternary complex of a human demethylase which reveals why it reacts with a specific methyl mark, and serves as a template for future screening or drug design programs.
-
(2007)
Nature
, vol.448
, pp. 87-91
-
-
Ng, S.S.1
Kavanagh, K.L.2
McDonough, M.A.3
Butler, D.4
Pilka, E.S.5
Lienard, B.M.6
Bray, J.E.7
Savitsky, P.8
Gileadi, O.9
von Delft, F.10
-
33
-
-
34247375933
-
Structure and regulation of the human Nek2 centrosomal kinase
-
Rellos P., Ivins F.J., Baxter J.E., Pike A., Nott T.J., Parkinson D.M., Das S., Howell S., Fedorov O., Shen Q.Y., et al. Structure and regulation of the human Nek2 centrosomal kinase. J Biol Chem 282 (2007) 6833-6842
-
(2007)
J Biol Chem
, vol.282
, pp. 6833-6842
-
-
Rellos, P.1
Ivins, F.J.2
Baxter, J.E.3
Pike, A.4
Nott, T.J.5
Parkinson, D.M.6
Das, S.7
Howell, S.8
Fedorov, O.9
Shen, Q.Y.10
-
34
-
-
31944445647
-
Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Plasmodium falciparum at 2.25 Å resolution reveals intriguing extra electron density in the active site
-
Robien M.A., Bosch J., Buckner F.S., Van Voorhis W.C., Worthey E.A., Myler P., Mehlin C., Boni E.E., Kalyuzhniy O., Anderson L., et al. Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Plasmodium falciparum at 2.25 Å resolution reveals intriguing extra electron density in the active site. Proteins 62 (2006) 570-577
-
(2006)
Proteins
, vol.62
, pp. 570-577
-
-
Robien, M.A.1
Bosch, J.2
Buckner, F.S.3
Van Voorhis, W.C.4
Worthey, E.A.5
Myler, P.6
Mehlin, C.7
Boni, E.E.8
Kalyuzhniy, O.9
Anderson, L.10
-
35
-
-
33847635635
-
Structural basis of inhibition of the human NAD+-dependent deacetylase SIRT5 by suramin
-
Schuetz A., Min J., Antoshenko T., Wang C.L., Allali-Hassani A., Dong A., Loppnau P., Vedadi M., Bochkarev A., Sternglanz R., et al. Structural basis of inhibition of the human NAD+-dependent deacetylase SIRT5 by suramin. Structure 15 (2007) 377-389
-
(2007)
Structure
, vol.15
, pp. 377-389
-
-
Schuetz, A.1
Min, J.2
Antoshenko, T.3
Wang, C.L.4
Allali-Hassani, A.5
Dong, A.6
Loppnau, P.7
Vedadi, M.8
Bochkarev, A.9
Sternglanz, R.10
-
36
-
-
34047247010
-
Crystal structure of human inosine triphosphatase. Substrate binding and implication of the inosine triphosphatase deficiency mutation P32T
-
Stenmark P., Kursula P., Flodin S., Graslund S., Landry R., Nordlund P., and Schuler H. Crystal structure of human inosine triphosphatase. Substrate binding and implication of the inosine triphosphatase deficiency mutation P32T. J Biol Chem 282 (2007) 3182-3187
-
(2007)
J Biol Chem
, vol.282
, pp. 3182-3187
-
-
Stenmark, P.1
Kursula, P.2
Flodin, S.3
Graslund, S.4
Landry, R.5
Nordlund, P.6
Schuler, H.7
-
38
-
-
34547124338
-
Crystal structure of human cytosolic 5′-nucleotidase II: insights into allosteric regulation and substrate recognition
-
Wallden K., Stenmark P., Nyman T., Flodin S., Graslund S., Loppnau P., Bianchi V., and Nordlund P. Crystal structure of human cytosolic 5′-nucleotidase II: insights into allosteric regulation and substrate recognition. J Biol Chem 282 (2007) 17828-17836
-
(2007)
J Biol Chem
, vol.282
, pp. 17828-17836
-
-
Wallden, K.1
Stenmark, P.2
Nyman, T.3
Flodin, S.4
Graslund, S.5
Loppnau, P.6
Bianchi, V.7
Nordlund, P.8
-
39
-
-
34447554595
-
Structure and mechanism of spermidine synthases
-
Wu H., Min J., Ikeguchi Y., Zeng H., Dong A., Loppnau P., Pegg A.E., and Plotnikov A.N. Structure and mechanism of spermidine synthases. Biochemistry 46 (2007) 8331-8339
-
(2007)
Biochemistry
, vol.46
, pp. 8331-8339
-
-
Wu, H.1
Min, J.2
Ikeguchi, Y.3
Zeng, H.4
Dong, A.5
Loppnau, P.6
Pegg, A.E.7
Plotnikov, A.N.8
-
40
-
-
26444498493
-
Design of wide-spectrum inhibitors targeting coronavirus main proteases
-
Yang H., Xie W., Xue X., Yang K., Ma J., Liang W., Zhao Q., Zhou Z., Pei D., Ziebuhr J., et al. Design of wide-spectrum inhibitors targeting coronavirus main proteases. PLoS Biol 3 (2005) e324
-
(2005)
PLoS Biol
, vol.3
-
-
Yang, H.1
Xie, W.2
Xue, X.3
Yang, K.4
Ma, J.5
Liang, W.6
Zhao, Q.7
Zhou, Z.8
Pei, D.9
Ziebuhr, J.10
-
41
-
-
38049155899
-
-
Federov O, Marsden B, Pogacic V, Rellos P, Muller S, Bullock AN, Schwaller J, Sundstrom M, Knapp S. A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases. Proc Natl Acad Sci U S A 2007, 104:20523-20528.
-
Federov O, Marsden B, Pogacic V, Rellos P, Muller S, Bullock AN, Schwaller J, Sundstrom M, Knapp S. A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases. Proc Natl Acad Sci U S A 2007, 104:20523-20528. This paper demonstrates the synergy between chemogenomic approaches for drug discovery and the family based approach to structural genomics. The availability of purified recombinant human protein kinases facilitated an in vitro profiling experiment of binding of a large test set of kinase directed compounds, revealing inhibitor and protein promiscuities, as well as patterns of cross reactivity.
-
-
-
-
42
-
-
0037013858
-
An RNA cap (nucleoside-2′-O-)-methyltransferase in the flavivirus RNA polymerase NS5: crystal structure and functional characterization
-
Egloff M.P., Benarroch D., Selisko B., Romette J.L., and Canard B. An RNA cap (nucleoside-2′-O-)-methyltransferase in the flavivirus RNA polymerase NS5: crystal structure and functional characterization. EMBO J 21 (2002) 2757-2768
-
(2002)
EMBO J
, vol.21
, pp. 2757-2768
-
-
Egloff, M.P.1
Benarroch, D.2
Selisko, B.3
Romette, J.L.4
Canard, B.5
-
43
-
-
33744541159
-
Characterization of human DHRS6, an orphan short chain dehydrogenase/reductase enzyme: a novel, cytosolic type 2 R-beta-hydroxybutyrate dehydrogenase
-
Guo K., Lukacik P., Papagrigoriou E., Meier M., Lee W.H., Adamski J., and Oppermann U. Characterization of human DHRS6, an orphan short chain dehydrogenase/reductase enzyme: a novel, cytosolic type 2 R-beta-hydroxybutyrate dehydrogenase. J Biol Chem 281 (2006) 10291-10297
-
(2006)
J Biol Chem
, vol.281
, pp. 10291-10297
-
-
Guo, K.1
Lukacik, P.2
Papagrigoriou, E.3
Meier, M.4
Lee, W.H.5
Adamski, J.6
Oppermann, U.7
-
44
-
-
35648939287
-
Nicotinamide riboside kinase structures reveal new pathways to NAD+
-
Tempel W., Rabeh W.M., Bogan K.L., Belenky P., Wojcik M., Seidle H.F., Nedyalkova L., Yang T., Sauve A.A., Park H.W., et al. Nicotinamide riboside kinase structures reveal new pathways to NAD+. PLoS Biol 5 (2007) e263
-
(2007)
PLoS Biol
, vol.5
-
-
Tempel, W.1
Rabeh, W.M.2
Bogan, K.L.3
Belenky, P.4
Wojcik, M.5
Seidle, H.F.6
Nedyalkova, L.7
Yang, T.8
Sauve, A.A.9
Park, H.W.10
-
45
-
-
33847780368
-
A potent, covalent inhibitor of orotidine 5′-monophosphate decarboxylase with antimalarial activity
-
Bello A.M., Poduch E., Fujihashi M., Amani M., Li Y., Crandall I., Hui R., Lee P.I., Kain K.C., Pai E.F., et al. A potent, covalent inhibitor of orotidine 5′-monophosphate decarboxylase with antimalarial activity. J Med Chem 50 (2007) 915-921
-
(2007)
J Med Chem
, vol.50
, pp. 915-921
-
-
Bello, A.M.1
Poduch, E.2
Fujihashi, M.3
Amani, M.4
Li, Y.5
Crandall, I.6
Hui, R.7
Lee, P.I.8
Kain, K.C.9
Pai, E.F.10
-
46
-
-
3142649047
-
Structures of sortase B from Staphylococcus aureus and Bacillus anthracis reveal catalytic amino acid triad in the active site
-
Zhang R., Wu R., Joachimiak G., Mazmanian S.K., Missiakas D.M., Gornicki P., Schneewind O., and Joachimiak A. Structures of sortase B from Staphylococcus aureus and Bacillus anthracis reveal catalytic amino acid triad in the active site. Structure 12 (2004) 1147-1156
-
(2004)
Structure
, vol.12
, pp. 1147-1156
-
-
Zhang, R.1
Wu, R.2
Joachimiak, G.3
Mazmanian, S.K.4
Missiakas, D.M.5
Gornicki, P.6
Schneewind, O.7
Joachimiak, A.8
-
47
-
-
33750470057
-
Chemical screening methods to identify ligands that promote protein stability, protein crystallization, and structure determination
-
This paper describes the usefulness of thermal stability screens to identify solution conditions that promote protein stability. Although the main focus of the paper is structure determination, the methods are clearly applicable to other purposes such as biochemical analysis and HTS-assay development, etc.
-
Vedadi M., Niesen F.H., Allali-Hassani A., Fedorov O.Y., Finerty Jr. P.J., Wasney G.A., Yeung R., Arrowsmith C., Ball L.J., Berglund H., et al. Chemical screening methods to identify ligands that promote protein stability, protein crystallization, and structure determination. Proc Natl Acad Sci U S A 103 (2006) 15835-15840. This paper describes the usefulness of thermal stability screens to identify solution conditions that promote protein stability. Although the main focus of the paper is structure determination, the methods are clearly applicable to other purposes such as biochemical analysis and HTS-assay development, etc.
-
(2006)
Proc Natl Acad Sci U S A
, vol.103
, pp. 15835-15840
-
-
Vedadi, M.1
Niesen, F.H.2
Allali-Hassani, A.3
Fedorov, O.Y.4
Finerty Jr., P.J.5
Wasney, G.A.6
Yeung, R.7
Arrowsmith, C.8
Ball, L.J.9
Berglund, H.10
-
48
-
-
33749525847
-
SPINE high-throughput crystallization, crystal imaging and recognition techniques: current state, performance analysis, new technologies and future aspects
-
Berry I., Dym O., Esnouf R., Harlos K., Meged R., Perrakis A., Sussman J., Walter T., Wilson J., and Messerschmidt A. SPINE high-throughput crystallization, crystal imaging and recognition techniques: current state, performance analysis, new technologies and future aspects. Acta Crystallogr D Biol Crystallogr 62 (2006) 1137-1149
-
(2006)
Acta Crystallogr D Biol Crystallogr
, vol.62
, pp. 1137-1149
-
-
Berry, I.1
Dym, O.2
Esnouf, R.3
Harlos, K.4
Meged, R.5
Perrakis, A.6
Sussman, J.7
Walter, T.8
Wilson, J.9
Messerschmidt, A.10
-
49
-
-
33749262286
-
Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase
-
Bosch J., Robien M.A., Mehlin C., Boni E., Riechers A., Buckner F.S., Van Voorhis W.C., Myler P.J., Worthey E.A., DeTitta G., et al. Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase. J Med Chem 49 (2006) 5939-5946
-
(2006)
J Med Chem
, vol.49
, pp. 5939-5946
-
-
Bosch, J.1
Robien, M.A.2
Mehlin, C.3
Boni, E.4
Riechers, A.5
Buckner, F.S.6
Van Voorhis, W.C.7
Myler, P.J.8
Worthey, E.A.9
DeTitta, G.10
-
50
-
-
1842532337
-
Chemogenomics: an emerging strategy for rapid target and drug discovery
-
Bredel M., and Jacoby E. Chemogenomics: an emerging strategy for rapid target and drug discovery. Nat Rev Genet 5 (2004) 262-275
-
(2004)
Nat Rev Genet
, vol.5
, pp. 262-275
-
-
Bredel, M.1
Jacoby, E.2
-
51
-
-
33748751182
-
Chemogenomics: structuring the drug discovery process to gene families
-
Harris C.J., and Stevens A.P. Chemogenomics: structuring the drug discovery process to gene families. Drug Discov Today 11 (2006) 880-888
-
(2006)
Drug Discov Today
, vol.11
, pp. 880-888
-
-
Harris, C.J.1
Stevens, A.P.2
-
52
-
-
34548317031
-
Chemogenomic approaches to rational drug design
-
Rognan D. Chemogenomic approaches to rational drug design. Br J Pharmacol 152 (2007) 38-52
-
(2007)
Br J Pharmacol
, vol.152
, pp. 38-52
-
-
Rognan, D.1
-
53
-
-
40949151046
-
-
Marsden BD, Knapp S: Doing more than just the structure - Structural Genomics in kinase drug discovery. Curr Opin Chem Biol 2008, in press, doi:10.1016/j.cbpa.2008.01.042.
-
Marsden BD, Knapp S: Doing more than just the structure - Structural Genomics in kinase drug discovery. Curr Opin Chem Biol 2008, in press, doi:10.1016/j.cbpa.2008.01.042.
-
-
-
-
54
-
-
34249073088
-
Structural and chemical profiling of the human cytosolic sulfotransferases
-
An example of family wide profiling of protein-ligand interactions and their structural interpretation facilitated by structural genomics.
-
Allali-Hassani A., Pan P.W., Dombrovski L., Najmanovich R., Tempel W., Dong A., Loppnau P., Martin F., Thonton J., Edwards A.M., et al. Structural and chemical profiling of the human cytosolic sulfotransferases. PLoS Biol 5 (2007) e97. An example of family wide profiling of protein-ligand interactions and their structural interpretation facilitated by structural genomics.
-
(2007)
PLoS Biol
, vol.5
-
-
Allali-Hassani, A.1
Pan, P.W.2
Dombrovski, L.3
Najmanovich, R.4
Tempel, W.5
Dong, A.6
Loppnau, P.7
Martin, F.8
Thonton, J.9
Edwards, A.M.10
-
55
-
-
33751547539
-
How many drug targets are there?
-
An analysis of current and potential drug targets. The conclusions underline the importance of the gene family and chemogenomic approach.
-
Overington J.P., Al-Lazikani B., and Hopkins A.L. How many drug targets are there?. Nat Rev Drug Discov 5 (2006) 993-996. An analysis of current and potential drug targets. The conclusions underline the importance of the gene family and chemogenomic approach.
-
(2006)
Nat Rev Drug Discov
, vol.5
, pp. 993-996
-
-
Overington, J.P.1
Al-Lazikani, B.2
Hopkins, A.L.3
|