1PHG
 
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1PHD
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1PHE
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1PHF
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6CCP
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6CP4
 | | P450CAM D251N MUTANT | | Descriptor: | CAMPHOR, CYTOCHROME P450CAM, GLYCEROL, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 1998-05-28 | | Release date: | 1998-09-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Understanding the role of the essential Asp251 in cytochrome p450cam using site-directed mutagenesis, crystallography, and kinetic solvent isotope effect.
Biochemistry, 37, 1998
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4WYF
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4XIS
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2C2C
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4CCP
 | | X-RAY STRUCTURES OF RECOMBINANT YEAST CYTOCHROME C PEROXIDASE AND THREE HEME-CLEFT MUTANTS PREPARED BY SITE-DIRECTED MUTAGENESIS | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, YEAST CYTOCHROME C PEROXIDASE | | Authors: | Wang, J, Mauro, J.M, Edwards, S.L, Oatley, S.J, Fishel, L.A, Ashford, V.A, Xuong, N.-H, Kraut, J. | | Deposit date: | 1990-02-28 | | Release date: | 1991-07-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-ray structures of recombinant yeast cytochrome c peroxidase and three heme-cleft mutants prepared by site-directed mutagenesis.
Biochemistry, 29, 1990
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2Q1L
 | | Design and Synthesis of Pyrrole-based, Hepatoselective HMG-CoA Reductase Inhibitors | | Descriptor: | (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | | Deposit date: | 2007-05-24 | | Release date: | 2007-07-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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1AK9
 | | SUBTILISIN MUTANT 8321 | | Descriptor: | CALCIUM ION, ISOPROPYL ALCOHOL, SODIUM ION, ... | | Authors: | Whitlow, M, Howard, A.J, Wood, J.F. | | Deposit date: | 1997-05-30 | | Release date: | 1997-11-12 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Large increases in general stability for subtilisin BPN' through incremental changes in the free energy of unfolding.
Biochemistry, 28, 1989
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1AQN
 | | SUBTILISIN MUTANT 8324 | | Descriptor: | CALCIUM ION, ISOPROPYL ALCOHOL, SUBTILISIN 8324, ... | | Authors: | Whitlow, M, Howard, A.J, Wood, J.F. | | Deposit date: | 1997-07-31 | | Release date: | 1998-01-14 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Large increases in general stabilityfor subtilisin BPN' through incremental changes in the free energy of unfolding
To be published
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1AU9
 | | SUBTILISIN BPN' MUTANT 8324 IN CITRATE | | Descriptor: | CALCIUM ION, ISOPROPYL ALCOHOL, SUBTILISIN BPN', ... | | Authors: | Whitlow, M, Howard, A.J, Wood, J.F. | | Deposit date: | 1997-09-12 | | Release date: | 1997-12-31 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Large increases in general stability for subtilisin BPN' through incremental changes in the free energy of unfolding.
Biochemistry, 28, 1989
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1BHQ
 | | MAC-1 I DOMAIN CADMIUM COMPLEX | | Descriptor: | ACETYL GROUP, CADMIUM ION, CD11B | | Authors: | Baldwin, E.T. | | Deposit date: | 1998-06-10 | | Release date: | 1998-11-04 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Cation binding to the integrin CD11b I domain and activation model assessment
Structure, 6, 1998
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1BHO
 | | MAC-1 I DOMAIN MAGNESIUM COMPLEX | | Descriptor: | CD11B, MAGNESIUM ION | | Authors: | Baldwin, E.T. | | Deposit date: | 1998-06-10 | | Release date: | 1998-11-04 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Cation binding to the integrin CD11b I domain and activation model assessment
Structure, 6, 1998
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1GJM
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1UYU
 | | Xenon COMPLEX OF wildtype P450CAM FROM PSEUDOMONAS PUTIDA | | Descriptor: | CAMPHOR, CYTOCHROME P450-CAM, POTASSIUM ION, ... | | Authors: | Wade, R.C, Winn, P.J, Schlichting, I, Sudarko, X. | | Deposit date: | 2004-03-02 | | Release date: | 2005-03-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Survey of Active Site Access Channels in Cytochromes P450
J.Inorg.Biochem., 98, 2004
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5KMC
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2PHB
 | | An Orally Efficacious Factor Xa Inhibitor | | Descriptor: | (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE, CALCIUM ION, Coagulation factor X, ... | | Authors: | Zhang, E, Kohrt, J.T, Bigge, C.F, Finzel, B.C. | | Deposit date: | 2007-04-10 | | Release date: | 2008-03-25 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The discovery of (2R,4R)-N-(4-chlorophenyl)-N- (2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-4-methoxypyrrolidine-1,2-dicarboxamide (PD 0348292), an orally efficacious factor Xa inhibitor
Chem.Biol.Drug Des., 70, 2007
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2Q6C
 | | Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors | | Descriptor: | (3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | | Deposit date: | 2007-06-04 | | Release date: | 2007-07-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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2PR3
 | | Factor XA inhibitor | | Descriptor: | (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[3-FLUORO-2'-(METHYLSULFONYL)BIPHENYL-4-YL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X, ... | | Authors: | Zhang, E, Kohrt, J.T, Bigge, C.F, Finzel, B.C. | | Deposit date: | 2007-05-03 | | Release date: | 2007-08-14 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-based drug design of pyrrolidine-1, 2-dicarboxamides as a novel series of orally bioavailable factor Xa inhibitors
Chem.Biol.Drug Des., 69, 2007
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2Q1J
 | | The discovery of glycine and related amino acid-based factor xa inhibitors | | Descriptor: | 1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]cyclopropanecarboxamide, Activated factor Xa heavy chain (EC 3.4.21.6), CALCIUM ION, ... | | Authors: | Kohrt, J.T, Filipski, K.J, Cody, W.L, Bigge, C.F, Zhang, E, Finzel, B.C. | | Deposit date: | 2007-05-24 | | Release date: | 2007-08-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Discovery of Glycine and Related Amino Acid-Based Factor Xa Inhibitors
BIOORG.MED.CHEM., 14, 2006
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2Q6B
 | | Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors | | Descriptor: | (3R,5R)-7-[3-(4-FLUOROPHENYL)-1-ISOPROPYL-8-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDROPYRROLO[2,3-C]AZEPIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | | Deposit date: | 2007-06-04 | | Release date: | 2007-07-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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2R4F
 | | Substituted Pyrazoles as Hepatselective HMG-COA reductase inhibitors | | Descriptor: | (3R,5R)-7-[1-(4-fluorophenyl)-4-(1-methylethyl)-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | | Deposit date: | 2007-08-31 | | Release date: | 2008-04-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxyheptanoic acid (PF-3052334) as a candidate for the treatment of hypercholesterolemia.
J.Med.Chem., 51, 2008
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