-
1
-
-
0025965047
-
Structure-function studies of human aromatase by site-directed mutagenesis: Kinetic properties of mutants Pro-308 → Phe, Tyr-361 → Phe, Tyr-361 → Leu and Phe-406 →
-
Zhuo D, Pompon D, Chen S (1991) Structure-function studies of human aromatase by site-directed mutagenesis: Kinetic properties of mutants Pro-308 → Phe, Tyr-361 → Phe, Tyr-361 → Leu and Phe-406 → Arg. Proc Natl Acad Sci USA 88:410-414.
-
(1991)
Arg. Proc Natl Acad Sci USA
, vol.88
, pp. 410-414
-
-
Zhuo, D.1
Pompon, D.2
Chen, S.3
-
2
-
-
11144236653
-
The structure of the unique sulfotranferase retinol dehydratase with product and inhibitors provide insight into enzyme mechanism and inhibition
-
Pakhomova S, Buck J, Newcomer ME (2005) The structure of the unique sulfotranferase retinol dehydratase with product and inhibitors provide insight into enzyme mechanism and inhibition. Protein Sci 14:176-182.
-
(2005)
Protein Sci
, vol.14
, pp. 176-182
-
-
Pakhomova, S.1
Buck, J.2
Newcomer, M.E.3
-
3
-
-
0347134669
-
Nature of the ligand-binding pocket of estrogen receptor α and β: The search for subtype-selective ligands and implications for the prediction of estrogenic activity
-
Katzenellenbogen JA, Muthyala R, Katzenellenbogen BS (2003) Nature of the ligand-binding pocket of estrogen receptor α and β: The search for subtype-selective ligands and implications for the prediction of estrogenic activity. Pure Appl Chem 75:2397-2403.
-
(2003)
Pure Appl Chem
, vol.75
, pp. 2397-2403
-
-
Katzenellenbogen, J.A.1
Muthyala, R.2
Katzenellenbogen, B.S.3
-
4
-
-
63649135796
-
Ent-Steroids: Novel tools for studies of signaling pathways
-
Covey DF (2009) ent-Steroids: Novel tools for studies of signaling pathways. Steroids 74:577-585.
-
(2009)
Steroids
, vol.74
, pp. 577-585
-
-
Covey, D.F.1
-
5
-
-
36849052318
-
Progesterone binding to the α1-subunit of the Na/K-ATPase on the cell surface: Insights from computational modelling
-
Morrill GA, Kostellow AB, Askari A (2008) Progesterone binding to the α1-subunit of the Na/K-ATPase on the cell surface: Insights from computational modelling. Steroids 73:27-40.
-
(2008)
Steroids
, vol.73
, pp. 27-40
-
-
Morrill, G.A.1
Kostellow, A.B.2
Askari, A.3
-
6
-
-
58149339806
-
Structural basis for androgen specificity and oestrogen synthesis in human aromatase
-
Ghosh D, Griswold J, Erman M, Pangborn W (2009) Structural basis for androgen specificity and oestrogen synthesis in human aromatase. Nature 457:219-224.
-
(2009)
Nature
, vol.457
, pp. 219-224
-
-
Ghosh, D.1
Griswold, J.2
Erman, M.3
Pangborn, W.4
-
7
-
-
0030667676
-
Molecular basis of agonism and antagonism in the oestrogen receptor
-
Brzozowski AM, et al. (1997) Molecular basis of agonism and antagonism in the oestrogen receptor. Nature 389:753-758.
-
(1997)
Nature
, vol.389
, pp. 753-758
-
-
Brzozowski, A.M.1
-
8
-
-
0031059270
-
The estradiol pharmacophore: Ligand structure-estrogen receptor binding affinity relationships and a model for the receptor binding site
-
Anstead GM, Carlson KE, Katzenellenbogen JA (1997) The estradiol pharmacophore: Ligand structure-estrogen receptor binding affinity relationships and a model for the receptor binding site. Steroids 62:268-303.
-
(1997)
Steroids
, vol.62
, pp. 268-303
-
-
Anstead, G.M.1
Carlson, K.E.2
Katzenellenbogen, J.A.3
-
9
-
-
33847640899
-
Terahertz time-domain spectroscopy and the quantitative monitoring of mechanochemical cocrystal formation
-
Nguyen KL, Friščić T, Day GM, Gladden LF, Jones W (2007) Terahertz time-domain spectroscopy and the quantitative monitoring of mechanochemical cocrystal formation. Nat Mater 6:206-209.
-
(2007)
Nat Mater
, vol.6
, pp. 206-209
-
-
Nguyen, K.L.1
Friščić, T.2
Day, G.M.3
Gladden, L.F.4
Jones, W.5
-
10
-
-
27944495541
-
Selective steroid recognition by a partially bridged resorcin[4]arene cavitand
-
Cacciarini M, Azov VA, Seiler P, Diederich F (2005) Selective steroid recognition by a partially bridged resorcin[4]arene cavitand. Chem Commun 5269-5271.
-
(2005)
Chem Commun
, pp. 5269-5271
-
-
Cacciarini, M.1
Azov, V.A.2
Seiler, P.3
Diederich, F.4
-
13
-
-
33845204296
-
Screening for inclusion compounds and systematic construction of three-component solids via liquid-assisted grinding
-
Friščić T, Trask AV, Jones W, Motherwell WDS (2006) Screening for inclusion compounds and systematic construction of three-component solids via liquid-assisted grinding. Angew Chem Int Edit 45:7546-7550.
-
(2006)
Angew Chem Int Edit
, vol.45
, pp. 7546-7550
-
-
Friščić, T.1
Trask, A.V.2
Jones, W.3
Motherwell, W.D.S.4
-
14
-
-
85023290986
-
Self-organization of adenine and thymine in the solid state
-
Etter MC, Reutzel SM, Choo CG (1993) Self-organization of adenine and thymine in the solid state. J Am Chem Soc 115:4411-4412.
-
(1993)
J Am Chem Soc
, vol.115
, pp. 4411-4412
-
-
Etter, M.C.1
Reutzel, S.M.2
Choo, C.G.3
-
15
-
-
60849119998
-
Guest-directed assembly of caffeine and succinic acid into topologically different heteromolecular host networks upon grinding
-
Friščić T, Trask AV, Jones W, Motherwell WDS (2008) Guest-directed assembly of caffeine and succinic acid into topologically different heteromolecular host networks upon grinding. Cryst Growth Des 8:1605-1609.
-
(2008)
Cryst Growth des
, vol.8
, pp. 1605-1609
-
-
Friščić, T.1
Trask, A.V.2
Jones, W.3
Motherwell, W.D.S.4
-
16
-
-
0027377110
-
Three-dimensional model for the hormone binding domains of steroid receptors
-
Goldstein RA, Katzenellenbogen JA, Luthey-Schulten ZA, Seielstad DA, Wolynes PG (1993) Three-dimensional model for the hormone binding domains of steroid receptors. Proc Natl Acad Sci USA 90:9949-9953.
-
(1993)
Proc Natl Acad Sci USA
, vol.90
, pp. 9949-9953
-
-
Goldstein, R.A.1
Katzenellenbogen, J.A.2
Luthey-Schulten, Z.A.3
Seielstad, D.A.4
Wolynes, P.G.5
-
17
-
-
0035801532
-
"Total synthesis" supramolecular style: Design and hydrogen-bond-directed assembly of ternary supermolecules
-
Aakeröy CB, Beatty AM, Hilfrich BA (2001) "Total synthesis" supramolecular style: Design and hydrogen-bond-directed assembly of ternary supermolecules. Angew Chem Int Edit 40:3240-3242.
-
(2001)
Angew Chem Int Edit
, vol.40
, pp. 3240-3242
-
-
Aakeröy, C.B.1
Beatty, A.M.2
Hilfrich, B.A.3
-
19
-
-
53849093843
-
Cocrystal screening of stanolone and mestanolone using slurry crystallization
-
Takata N, Shiraki K, Takano R, Hayashi Y, Terada K (2008) Cocrystal screening of stanolone and mestanolone using slurry crystallization. Cryst Growth Des 8:3032-3037.
-
(2008)
Cryst Growth des
, vol.8
, pp. 3032-3037
-
-
Takata, N.1
Shiraki, K.2
Takano, R.3
Hayashi, Y.4
Terada, K.5
-
21
-
-
70350342771
-
Improving mechanical properties of crystalline solids by cocrystal formation: New compressible forms of paracetamol
-
Karki S, et al. (2009) Improving mechanical properties of crystalline solids by cocrystal formation: New compressible forms of paracetamol. Adv Mater 21:3905-3909.
-
(2009)
Adv Mater
, vol.21
, pp. 3905-3909
-
-
Karki, S.1
-
22
-
-
0013842899
-
Androgenic steroid complexes with p-Bromophenol
-
Eger C, Norton DA (1965) Androgenic steroid complexes with p-Bromophenol. Nature 208:997-999.
-
(1965)
Nature
, vol.208
, pp. 997-999
-
-
Eger, C.1
Norton, D.A.2
-
23
-
-
56549125682
-
Co-crystal formation and the determination of absolute configuration
-
Bhatt PM, Desiraju GR (2008) Co-crystal formation and the determination of absolute configuration. CrystEngComm 10:1747-1749.
-
(2008)
CrystEngComm
, vol.10
, pp. 1747-1749
-
-
Bhatt, P.M.1
Desiraju, G.R.2
-
24
-
-
84923649224
-
Néhány szterin-molekulavegyület vizsgálata
-
Kádárné PJ (1964) Néhány szterin-molekulavegyület vizsgálata. Magy Kem Foly 70:325-327.
-
(1964)
Magy Kem Foly
, vol.70
, pp. 325-327
-
-
Kádárné, P.J.1
-
25
-
-
34250870110
-
An overview of pharmaceutical cocrystals as intellectual property
-
Trask AV (2007) An overview of pharmaceutical cocrystals as intellectual property. Mol Pharm 4:301-309.
-
(2007)
Mol Pharm
, vol.4
, pp. 301-309
-
-
Trask, A.V.1
-
26
-
-
65249148409
-
Cambridge Structural Database analysis of molecular complementarity in cocrystals
-
Fábián L (2009) Cambridge Structural Database analysis of molecular complementarity in cocrystals. Cryst Growth Des 9:1436-1443.
-
(2009)
Cryst Growth des
, vol.9
, pp. 1436-1443
-
-
Fábián, L.1
-
27
-
-
27744518934
-
Achieving polymorphic and stoichiometric diversity in cocrystal formation: Importance of solid-state grinding, powder X-ray structure determination, and seeding
-
Trask AV, van de Streek J, Motherwell WDS, Jones W (2005) Achieving polymorphic and stoichiometric diversity in cocrystal formation: Importance of solid-state grinding, powder X-ray structure determination, and seeding. Cryst Growth Des 5:2233-2241.
-
(2005)
Cryst Growth des
, vol.5
, pp. 2233-2241
-
-
Trask, A.V.1
Van De Streek, J.2
Motherwell, W.D.S.3
Jones, W.4
-
28
-
-
4544344125
-
CH/π hydrogen bonds in crystals
-
Nishio M (2004) CH/π hydrogen bonds in crystals. CrystEngComm 6:130-158.
-
(2004)
CrystEngComm
, vol.6
, pp. 130-158
-
-
Nishio, M.1
-
29
-
-
75749112887
-
Distributed multipole analysis: Stability for large basis sets
-
Stone AJ (2005) Distributed multipole analysis: Stability for large basis sets. J Chem Theory Comput 1:1128-1132.
-
(2005)
J Chem Theory Comput
, vol.1
, pp. 1128-1132
-
-
Stone, A.J.1
-
31
-
-
33751572344
-
Racemic progesterone: Predicted in silico and produced in the solid state
-
Lancaster RW, et al. (2006) Racemic progesterone: Predicted in silico and produced in the solid state. Chem Commun 4921-4923.
-
(2006)
Chem Commun
, pp. 4921-4923
-
-
Lancaster, R.W.1
-
32
-
-
61849114738
-
Computed crystal energy landscapes for understanding and predicting organic crystal structures and polymorphism
-
Price SL (2009) Computed crystal energy landscapes for understanding and predicting organic crystal structures and polymorphism. Acc Chem Res 42:117-126.
-
(2009)
Acc Chem Res
, vol.42
, pp. 117-126
-
-
Price, S.L.1
-
33
-
-
0019810053
-
Conformation of progesterone side cha Conflict between X-ray data and force-field calculations
-
Duax WL, Griffin JF, Rohrer DC (1981) Conformation of progesterone side chain: Conflict between X-ray data and force-field calculations. J Am Chem Soc 103:6705-6712.
-
(1981)
J Am Chem Soc
, vol.103
, pp. 6705-6712
-
-
Duax, W.L.1
Griffin, J.F.2
Rohrer, D.C.3
-
34
-
-
0000888847
-
On the isostructural molecular compound formation of a steroid with α- and β-naphthols
-
Böcskei Z, Simon K, Ambrus G, Ilköy É (1995) On the isostructural molecular compound formation of a steroid with α- and β-naphthols. Acta Crystallogr C51:1319-1322.
-
(1995)
Acta Crystallogr
, vol.C51
, pp. 1319-1322
-
-
Böcskei, Z.1
Simon, K.2
Ambrus, G.3
Ilköy, É.4
-
35
-
-
0032575057
-
Atomic structure of progesterone complexed with its receptor
-
Williams SP, Sigler PB (1998) Atomic structure of progesterone complexed with its receptor. Nature 393:392-396.
-
(1998)
Nature
, vol.393
, pp. 392-396
-
-
Williams, S.P.1
Sigler, P.B.2
-
36
-
-
67650803266
-
Estrogen and progesterone receptors: From molecular structures to clinical targets
-
Ellmann S, et al. (2009) Estrogen and progesterone receptors: From molecular structures to clinical targets. Cell Mol Life Sci 66:2405-2426.
-
(2009)
Cell Mol Life Sci
, vol.66
, pp. 2405-2426
-
-
Ellmann, S.1
-
37
-
-
0034714276
-
Structural evidence for ligand specificity in the binding domain of the human androgen receptor
-
Matias PM, et al. (2000) Structural evidence for ligand specificity in the binding domain of the human androgen receptor. J Biol Chem 275:26164-26171.
-
(2000)
J Biol Chem
, vol.275
, pp. 26164-26171
-
-
Matias, P.M.1
-
38
-
-
33748907733
-
1-acid glycoprotein
-
1-acid glycoprotein. Carbohyd Res 341:2557-2564.
-
(2006)
Carbohyd Res
, vol.341
, pp. 2557-2564
-
-
Albani, J.R.1
-
39
-
-
60849106279
-
The role of solvent in mechanochemical and sonochemical cocrystal formation: A solubility-based approach for predicting cocrystallisation outcome
-
Friščić T, Childs SL, Rizvi SAA, Jones W (2009) The role of solvent in mechanochemical and sonochemical cocrystal formation: A solubility-based approach for predicting cocrystallisation outcome. CrystEngComm 11:418-426.
-
(2009)
CrystEngComm
, vol.11
, pp. 418-426
-
-
Friščić, T.1
Childs, S.L.2
Rizvi, S.A.A.3
Jones, W.4
-
40
-
-
13444301354
-
Ab initio crystal structure prediction - I Rigid molecules
-
Karamertzanis PG, Pantelides CC (2005) Ab initio crystal structure prediction - I Rigid molecules. J Comput Chem 26:304-324.
-
(2005)
J Comput Chem
, vol.26
, pp. 304-324
-
-
Karamertzanis, P.G.1
Pantelides, C.C.2
-
41
-
-
84986513567
-
Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformation analysis
-
Breneman CM, Wiberg KB (1990) Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformation analysis. J Comp Chem 11:361-373.
-
(1990)
J Comp Chem
, vol.11
, pp. 361-373
-
-
Breneman, C.M.1
Wiberg, K.B.2
-
42
-
-
0343815838
-
Role of electrostatic interactions in determining crystal structures of polar organic molecules: A distributed multipole study
-
Coombes DS, Price SL, Willock DJ, Leslie M (1996) Role of electrostatic interactions in determining crystal structures of polar organic molecules: A distributed multipole study. J Phys Chem 100:7352-7360.
-
(1996)
J Phys Chem
, vol.100
, pp. 7352-7360
-
-
Coombes, D.S.1
Price, S.L.2
Willock, D.J.3
Leslie, M.4
-
44
-
-
13844308682
-
COMPACK: A program for identifying crystal structure similarity using distances
-
Chisholm JA, Motherwell S (2005) COMPACK: A program for identifying crystal structure similarity using distances. J Appl Crystallogr 38:228-231.
-
(2005)
J Appl Crystallogr
, vol.38
, pp. 228-231
-
-
Chisholm, J.A.1
Motherwell, S.2
-
45
-
-
79954538854
-
CrystalOptimizer: An Efficient Algorithm for Lattice Energy Minimisation of Organic Crystals Using Isolated-Molecule Quantum Mechanical Calculations
-
Process Systems Engineering eds CS Adjiman and A Galindo (Wiley VCH, Weinheim)
-
Kazantsev AV, Karamertzanis PG, Pantelides CC, Adjiman CS (2010) CrystalOptimizer: An Efficient Algorithm for Lattice Energy Minimisation of Organic Crystals Using Isolated-Molecule Quantum Mechanical Calculations. Process Systems Engineering Volume 6: Molecular Systems Engineering, eds CS Adjiman and A Galindo (Wiley VCH, Weinheim).
-
(2010)
Molecular Systems Engineering
, vol.6
-
-
Kazantsev, A.V.1
Karamertzanis, P.G.2
Pantelides, C.C.3
Adjiman, C.S.4
-
46
-
-
33749375613
-
Energy minimization of crystal structures containing flexible molecules
-
Karamertzanis PG, Price SL (2006) Energy minimization of crystal structures containing flexible molecules. J Comp Theor Comp 2:1184-1199.
-
(2006)
J Comp Theor Comp
, vol.2
, pp. 1184-1199
-
-
Karamertzanis, P.G.1
Price, S.L.2
|