-
1
-
-
2542571016
-
Ultrahigh resolution drug design I: Details of interactions in human aldose reductase-inhibitor complex at 0.66 Å
-
DOI 10.1002/prot.20015
-
Howard EI, et al. (2004) Ultrahigh resolution drug design I: Details of interactions in human aldose reductase-inhibitor complex at 0.66 Å. Proteins 55:792-804. (Pubitemid 38702939)
-
(2004)
Proteins: Structure, Function and Genetics
, vol.55
, Issue.4
, pp. 792-804
-
-
Howard, E.I.1
Sanishvili, R.2
Cachau, R.E.3
Mitschler, A.4
Chevrier, B.5
Barth, P.6
Lamour, V.7
Van Zandt, M.8
Sibley, E.9
Bon, C.10
Moras, D.11
Schneider, T.R.12
Joachimiak, A.13
Podjarny, A.14
-
2
-
-
70449585313
-
Neutron macromolecular crystallography
-
Blakeley MP (2009) Neutron macromolecular crystallography. Crystallogr Rev 15:157-218.
-
(2009)
Crystallogr Rev
, vol.15
, pp. 157-218
-
-
Blakeley, M.P.1
-
3
-
-
0019889789
-
Direct determination of the protonation states of aspartic acid-102 and histidine-57 in the tetrahedral intermediate of the serine proteases: Neutron structure of trypsin
-
Kossiakoff AA, Spencer SA (1981) Direct determination of the protonation states of aspartic acid-102 and histidine-57 in the tetrahedral intermediate of the serine proteases: Neutron structure of trypsin. Biochemistry 20:6462-6474.
-
(1981)
Biochemistry
, vol.20
, pp. 6462-6474
-
-
Kossiakoff, A.A.1
Spencer, S.A.2
-
4
-
-
33845492587
-
Neutron diffraction studies of Escherichia coli dihydrofolate reductase complexed with methotrexate
-
DOI 10.1073/pnas.0604977103
-
Bennett B, et al. (2006) Complementary neutron and ultrahigh X-ray diffraction studies of Escherichia coli dihydrofolate reductase complexed with methotrexate. Proc Natl Acad Sci USA 103:18493-18498. (Pubitemid 44913438)
-
(2006)
Proceedings of the National Academy of Sciences of the United States of America
, vol.103
, Issue.49
, pp. 18493-18498
-
-
Bennett, B.1
Langan, P.2
Coates, L.3
Mustyakimov, M.4
Schoenborn, B.5
Howell, E.E.6
Dealwis, C.7
-
5
-
-
44949239669
-
The catalytic mechanism of an aspartic proteinase explored with neutron and X-ray diffraction
-
DOI 10.1021/ja801269x
-
Coates L, et al. (2008) The catalytic mechanism of an aspartic proteinase explored with neutron and X-ray diffraction. J Am Chem Soc 130:7235-7237. (Pubitemid 351813210)
-
(2008)
Journal of the American Chemical Society
, vol.130
, Issue.23
, pp. 7235-7237
-
-
Coates, L.1
Tuan, H.-F.2
Tomanicek, S.3
Kovalevsky, A.4
Mustyakimov, M.5
Erskine, P.6
Cooper, J.7
-
6
-
-
47649088568
-
Hydrogen location in stages of an enzyme-catalyzed reaction: Time-of-flight neutron structure of D-xylose isomerase with bound D-xylulose
-
DOI 10.1021/bi8005434
-
Kovalevsky AY, et al. (2008) Hydrogen location in stages of an enzyme-catalyzed reaction: Time-of-flight neutron structure of D-xylose isomerase with bound d-xylulose. Biochemistry 47:7595-7597. (Pubitemid 352019490)
-
(2008)
Biochemistry
, vol.47
, Issue.29
, pp. 7595-7597
-
-
Kovalevsky, A.Y.1
Katz, A.K.2
Carrell, H.L.3
Hanson, L.4
Mustyakimov, M.5
Zoe, F.S.6
Coates, L.7
Schoenborn, B.P.8
Bunick, G.J.9
Glusker, J.P.10
Langan, P.11
-
7
-
-
58849161928
-
Rapid determination of hydrogen positions and protonation states of diisopropyl fluorophosphatase by joint neutron and X-ray diffraction refinement
-
Blum M-M, et al. (2009) Rapid determination of hydrogen positions and protonation states of diisopropyl fluorophosphatase by joint neutron and X-ray diffraction refinement. Proc Natl Acad Sci USA 106:713-718.
-
(2009)
Proc Natl Acad Sci USA
, vol.106
, pp. 713-718
-
-
Blum, M.-M.1
-
8
-
-
74949121428
-
Neutron structure of human carbonic anhydrase II: Implications for proton transfer
-
Fisher Z, et al. (2010) Neutron structure of human carbonic anhydrase II: Implications for proton transfer. Biochemistry 49:415-421.
-
(2010)
Biochemistry
, vol.49
, pp. 415-421
-
-
Fisher, Z.1
-
9
-
-
77953546976
-
Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: A joint X-ray and neutron diffraction study
-
Kovalevsky AY, et al. (2010) Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: A joint X-ray and neutron diffraction study. Structure 18:688-699.
-
(2010)
Structure
, vol.18
, pp. 688-699
-
-
Kovalevsky, A.Y.1
-
10
-
-
80155203797
-
Neutron structure of human carbonic anhydrase II: A hydrogen-bonded water network "switch" is observed between pH 7.8 and 10.0
-
Fisher Z, et al. (2011) Neutron structure of human carbonic anhydrase II: A hydrogen-bonded water network "switch" is observed between pH 7.8 and 10.0. Biochemistry 50:9421-9423.
-
(2011)
Biochemistry
, vol.50
, pp. 9421-9423
-
-
Fisher, Z.1
-
11
-
-
79953791129
-
Neutron structure of type-III antifreeze protein allows the reconstruction of AFP-ice interface
-
Howard EI, et al. (2011) Neutron structure of type-III antifreeze protein allows the reconstruction of AFP-ice interface. J Mol Recognit 24:724-732.
-
(2011)
J Mol Recognit
, vol.24
, pp. 724-732
-
-
Howard, E.I.1
-
12
-
-
79952175807
-
X-ray and neutron protein crystallographic analysis of the trypsin-BPTI complex
-
Kawamura K, et al. (2011) X-ray and neutron protein crystallographic analysis of the trypsin-BPTI complex. Acta Crystallogr D 67:140-148.
-
(2011)
Acta Crystallogr D
, vol.67
, pp. 140-148
-
-
Kawamura, K.1
-
13
-
-
79961217081
-
Identification of the elusive hydronium ion exchanging roles with a proton in an enzyme at lower pH values
-
Kovalevsky AY, et al. (2011) Identification of the elusive hydronium ion exchanging roles with a proton in an enzyme at lower pH values. Angew Chem Int Ed 50:7520-7523.
-
(2011)
Angew Chem Int Ed
, vol.50
, pp. 7520-7523
-
-
Kovalevsky, A.Y.1
-
14
-
-
78651374505
-
The active site protonation states of perdeuterated Toho-1 b-lactamase determined by neutron diffraction support a role for Glu166 as the general base in acylation
-
Tomanicek S, et al. (2011) The active site protonation states of perdeuterated Toho-1 b-lactamase determined by neutron diffraction support a role for Glu166 as the general base in acylation. FEBS Lett 585:364-368.
-
(2011)
FEBS Lett
, vol.585
, pp. 364-368
-
-
Tomanicek, S.1
-
15
-
-
84857031868
-
Hydrogen-bond network and pH sensitivity in transthyretin: Neutron crystal structure of human transthyretin
-
Yokoyama T, et al. (2012) Hydrogen-bond network and pH sensitivity in transthyretin: Neutron crystal structure of human transthyretin. J Struct Biol 177:283-290.
-
(2012)
J Struct Biol
, vol.177
, pp. 283-290
-
-
Yokoyama, T.1
-
16
-
-
0021760668
-
Effect of protein packing structure on side-chain methyl rotor conformations
-
Kossiakoff AA, Shteyn S (1984) Effect of protein packing structure on side-chain methyl rotor conformations. Nature 311:582-583.
-
(1984)
Nature
, vol.311
, pp. 582-583
-
-
Kossiakoff, A.A.1
Shteyn, S.2
-
17
-
-
0031566067
-
Zero point motion of the librating methyl group in p-hydroxyacetanilide
-
Wilson CC (1997) Zero point motion of the librating methyl group in p-hydroxyacetanilide. Chem Phys Lett 280:531-534.
-
(1997)
Chem Phys Lett
, vol.280
, pp. 531-534
-
-
Wilson, C.C.1
-
18
-
-
0020488766
-
Protein dynamics investigated by the neutron diffraction-hydrogen exchange technique
-
Kossiakoff AA (1982) Protein dynamics investigated by the neutron diffraction-hydrogen exchange technique. Nature 296:713-721.
-
(1982)
Nature
, vol.296
, pp. 713-721
-
-
Kossiakoff, A.A.1
-
19
-
-
0027459475
-
Atomic resolution (0.83 Å) crystal structure of the hydrophobic protein crambin at 130 K
-
DOI 10.1006/jmbi.1993.1143
-
Teeter MM, Roe SM, Heo NH (1993) Atomic resolution (0.83 Å) crystal structure of the hydrophobic protein crambin at 130 K. J Mol Biol 230:292-311. (Pubitemid 23093564)
-
(1993)
Journal of Molecular Biology
, vol.230
, Issue.1
, pp. 292-311
-
-
Teeter, M.M.1
Roe, S.M.2
Heo, N.H.3
-
21
-
-
0034724422
-
Accurate protein crystallography at ultra-high resolution: Valence electron distribution in crambin
-
DOI 10.1073/pnas.97.7.3171
-
Jelsch C, et al. (2000) Accurate protein crystallography at ultra-high resolution: Valence electron distribution in crambin. Proc Natl Acad Sci USA 97:3171-3176. (Pubitemid 30183274)
-
(2000)
Proceedings of the National Academy of Sciences of the United States of America
, vol.97
, Issue.7
, pp. 3171-3176
-
-
Jelsch, C.1
Teeter, M.M.2
Lamzin, V.3
Pichon-Pesme, V.4
Blessing, R.H.5
Lecomte, C.6
-
23
-
-
66249139220
-
Generalized X-ray and neutron crystallographic analysis: More accurate and complete structures for biological macromolecules
-
Adams PD, Mustyakimov M, Afonine PV, Langan P (2009) Generalized X-ray and neutron crystallographic analysis: More accurate and complete structures for biological macromolecules. Acta Crystallogr D 65:567-573.
-
(2009)
Acta Crystallogr D
, vol.65
, pp. 567-573
-
-
Adams, P.D.1
Mustyakimov, M.2
Afonine, P.V.3
Langan, P.4
-
24
-
-
84863126254
-
Room temperature ultra-high resolution time-of-flight neutron and X-ray diffraction studies of H/D exchanged crambin
-
Chen JC-H, et al. (2012) Room temperature ultra-high resolution time-of-flight neutron and X-ray diffraction studies of H/D exchanged crambin. Acta Crystallogr F 68:119-123.
-
(2012)
Acta Crystallogr F
, vol.68
, pp. 119-123
-
-
Chen, J.C.-H.1
-
25
-
-
0022349985
-
Study of ethanol-lysozyme interactions using neutron diffraction
-
DOI 10.1021/bi00342a026
-
Lehmann MS, Mason SA, McIntyre GJ (1985) Study of ethanol-lysozyme interactions using neutron diffraction. Biochemistry 24:5862-5869. (Pubitemid 16203026)
-
(1985)
Biochemistry
, vol.24
, Issue.21
, pp. 5862-5869
-
-
Lehmann, M.S.1
Mason, S.A.2
McIntyre, G.J.3
-
26
-
-
0032954634
-
Neutron Laue diffraction studies of coenzyme cob(II)alamin
-
Langan P, Jogl G, Lehmann MS, Wilkinson C, Kratky C (1999) Laue neutron diffraction studies of coenzyme cob(II)alamin. Acta Crystallogr D 55:51-59. (Pubitemid 29053800)
-
(1999)
Acta Crystallographica Section D: Biological Crystallography
, vol.55
, Issue.1
, pp. 51-59
-
-
Langan, P.1
Lehmann, M.2
Wilkinson, C.3
Jogl, G.4
Kratky, C.5
-
27
-
-
79958022738
-
High-resolution neutron crystallographic studies of the hydration of the coenzyme cob(II)almin
-
Jogl G, et al. (2011) High-resolution neutron crystallographic studies of the hydration of the coenzyme cob(II)almin. Acta Crystallogr D 67:584-591.
-
(2011)
Acta Crystallogr D
, vol.67
, pp. 584-591
-
-
Jogl, G.1
-
28
-
-
78049479623
-
Joint X-ray and neutron refinement with phenix.refine
-
Afonine P, et al. (2010) Joint X-ray and neutron refinement with phenix.refine. Acta Crystallogr D 66:1153-1163.
-
(2010)
Acta Crystallogr D
, vol.66
, pp. 1153-1163
-
-
Afonine, P.1
-
29
-
-
78049460981
-
Neutron structure and mechanistic studies of diisopropyl fluorophosphatase (DFPase)
-
Chen JC-H, Mustyakimov M, Schoenborn BP, Langan P, Blum M-M (2010) Neutron structure and mechanistic studies of diisopropyl fluorophosphatase (DFPase). Acta Crystallogr D 66:1131-1138.
-
(2010)
Acta Crystallogr D
, vol.66
, pp. 1131-1138
-
-
Chen, J.C.-H.1
Mustyakimov, M.2
Schoenborn, B.P.3
Langan, P.4
Blum, M.-M.5
-
30
-
-
0035971221
-
Strength of the CαH-O hydrogen bond of amino acids
-
Scheiner S, Kar T, Gu Y (2001) Strength of the CαH-O hydrogen bond of amino acids. J Biol Chem 278:9832- 9837.
-
(2001)
J Biol Chem
, vol.278
, pp. 9832-9837
-
-
Scheiner, S.1
Kar, T.2
Gu, Y.3
-
31
-
-
25144502026
-
The hydration structure of a Z-DNA hexameric duplex determined by a neutron diffraction technique
-
DOI 10.1107/S0907444905015581
-
Chatake T, Tanaka I, Umino H, Arai S, Niimura N (2005) The hydration structure of a Z-DNA hexameric duplex determined by a neutron diffraction technique. Acta Crystallogr D 61:1088-1098. (Pubitemid 43958398)
-
(2005)
Acta Crystallographica Section D: Biological Crystallography
, vol.61
, Issue.8
, pp. 1088-1098
-
-
Chatake, T.1
Tanaka, I.2
Umino, H.3
Arai, S.4
Niimura, N.5
-
32
-
-
0042305020
-
High resolution neutron protein crystallography. Hydrogen and hydration in proteins
-
Niimura N, Chatake T, Ostermann A, Kurihara K, Tanaka I (2003) High resolution neutron protein crystallography. Hydrogen and hydration in proteins. Z Krist 218:96-107.
-
(2003)
Z Krist
, vol.218
, pp. 96-107
-
-
Niimura, N.1
Chatake, T.2
Ostermann, A.3
Kurihara, K.4
Tanaka, I.5
-
33
-
-
0031450506
-
Hydrogen bonds and salt bridges across protein-protein interfaces
-
Xu D, Tsai C-J, Nussinov R (1997) Hydrogen bonds and salt bridges across protein-protein interfaces. Protein Eng 10:999-1012. (Pubitemid 28004646)
-
(1997)
Protein Engineering
, vol.10
, Issue.9
, pp. 999-1012
-
-
Xu, D.1
Tsai, C.-J.2
Nussinov, R.3
-
34
-
-
61449124041
-
Lone pair...pi interactions between water oxygens and aromatic residues: Quantum chemical studies based on high-resolution protein structures and model compounds
-
Jain A, Ramanathan V, Sankararamakrishnan R (2009) Lone pair...pi interactions between water oxygens and aromatic residues: Quantum chemical studies based on high-resolution protein structures and model compounds. Protein Sci 18:595-605.
-
(2009)
Protein Sci
, vol.18
, pp. 595-605
-
-
Jain, A.1
Ramanathan, V.2
Sankararamakrishnan, R.3
-
35
-
-
77952040164
-
Unambiguous determination of H-atom positions: Comparing results from neutron and high-resolution X-ray crystallography
-
Gardberg AS, et al. (2010) Unambiguous determination of H-atom positions: Comparing results from neutron and high-resolution X-ray crystallography. Acta Crystallogr D 66:558-567.
-
(2010)
Acta Crystallogr D
, vol.66
, pp. 558-567
-
-
Gardberg, A.S.1
-
37
-
-
84857827085
-
Rapid visualization of hydrogen positions in protein neutron crystallographic structures
-
Munshi P, et al. (2012) Rapid visualization of hydrogen positions in protein neutron crystallographic structures. Acta Crystallogr D 68:35-41.
-
(2012)
Acta Crystallogr D
, vol.68
, pp. 35-41
-
-
Munshi, P.1
-
38
-
-
79953902483
-
Reintroducing electrostatics into macromolecular crystallographic refinement: Application to neutron crystallography and DNA hydration
-
Fenn T, et al. (2011) Reintroducing electrostatics into macromolecular crystallographic refinement: Application to neutron crystallography and DNA hydration. Structure 19:523-533.
-
(2011)
Structure
, vol.19
, pp. 523-533
-
-
Fenn, T.1
-
39
-
-
3543083781
-
A preliminary time-of-flight neutron diffraction study of Streptomyces rubiginosus D-xylose isomerase
-
DOI 10.1107/S0907444903025873
-
Hanson BL, et al. (2004) A preliminary time-of-flight neutron diffraction study of Streptomyces rubiginosus D-xylose isomerase. Acta Crystallogr D 60:241-249. (Pubitemid 41087618)
-
(2004)
Acta Crystallographica Section D: Biological Crystallography
, vol.60
, Issue.2
, pp. 241-249
-
-
Hanson, B.L.1
Langan, P.2
Katz, A.K.3
Li, X.4
Harp, J.M.5
Glusker, J.P.6
Schoenborn, B.P.7
Bunick, G.J.8
-
40
-
-
0033213239
-
The finer things in X-ray diffraction data collection
-
Pflugrath JW (1999) The finer things in X-ray diffraction data collection. Acta Crystallogr D 55:1718-1725.
-
(1999)
Acta Crystallogr D
, vol.55
, pp. 1718-1725
-
-
Pflugrath, J.W.1
-
41
-
-
3543087500
-
Protein crystallography with spallation neutrons: Collecting and processing wavelength-resolved Laue protein data
-
Langan P, Greene G (2004) Protein crystallography with spallation neutrons: Collecting and processing wavelength-resolved Laue protein data. J Appl Crystallogr 37:253-257.
-
(2004)
J Appl Crystallogr
, vol.37
, pp. 253-257
-
-
Langan, P.1
Greene, G.2
-
42
-
-
0001475908
-
The recording and analysis of synchrotron X-radiation Laue diffraction photographs
-
Helliwell JR, et al. (1989) The recording and analysis of synchrotron X-radiation Laue diffraction photographs. J Appl Crystallogr 22:483-497.
-
(1989)
J Appl Crystallogr
, vol.22
, pp. 483-497
-
-
Helliwell, J.R.1
-
43
-
-
0037779018
-
A graphical user interface to the CCP4 program suite
-
DOI 10.1107/S0907444903008126
-
Potterton E, Briggs P, Turkenburg M, Dodson E (2003) A graphical user interface to the CCP4 program suite. Acta Crystallogr D 59:1131-1137. (Pubitemid 36872348)
-
(2003)
Acta Crystallographica Section D: Biological Crystallography
, vol.59
, Issue.7
, pp. 1131-1137
-
-
Potterton, E.1
Briggs, P.2
Turkenburg, M.3
Dodson, E.4
|