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1PHG
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BU of 1phg by Molmil
CRYSTAL STRUCTURES OF METYRAPONE-AND PHENYLIMIDAZOLE-INHIBITED COMPLEXES OF CYTOCHROME P450-CAM
分子名称: CYTOCHROME P450-CAM, METYRAPONE, PROTOPORPHYRIN IX CONTAINING FE
著者Poulos, T.L.
登録日1992-07-27
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of metyrapone- and phenylimidazole-inhibited complexes of cytochrome P-450cam.
Biochemistry, 26, 1987
1PHD
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CRYSTAL STRUCTURES OF METYRAPONE-AND PHENYLIMIDAZOLE-INHIBITED COMPLEXES OF CYTOCHROME P450-CAM
分子名称: 1-phenyl-1H-imidazole, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
著者Poulos, T.L.
登録日1992-07-27
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of metyrapone- and phenylimidazole-inhibited complexes of cytochrome P-450cam.
Biochemistry, 26, 1987
1PHE
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CRYSTAL STRUCTURES OF METYRAPONE-AND PHENYLIMIDAZOLE-INHIBITED COMPLEXES OF CYTOCHROME P450-CAM
分子名称: 2-phenyl-1H-imidazole, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Poulos, T.L.
登録日1992-07-27
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of metyrapone- and phenylimidazole-inhibited complexes of cytochrome P-450cam.
Biochemistry, 26, 1987
1PHF
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BU of 1phf by Molmil
CRYSTAL STRUCTURES OF METYRAPONE-AND PHENYLIMIDAZOLE-INHIBITED COMPLEXES OF CYTOCHROME P450-CAM
分子名称: 4-PHENYL-1H-IMIDAZOLE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
著者Poulos, T.L.
登録日1992-07-27
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of metyrapone- and phenylimidazole-inhibited complexes of cytochrome P-450cam.
Biochemistry, 26, 1987
6CCP
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BU of 6ccp by Molmil
EFFECT OF ARGININE-48 REPLACEMENT ON THE REACTION BETWEEN CYTOCHROME C PEROXIDASE AND HYDROGEN PEROXIDE
分子名称: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
著者Wang, J, Miller, M.A, Kraut, J.
登録日1993-06-07
公開日1993-10-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Effect of arginine-48 replacement on the reaction between cytochrome c peroxidase and hydrogen peroxide.
Biochemistry, 32, 1993
6CP4
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P450CAM D251N MUTANT
分子名称: CAMPHOR, CYTOCHROME P450CAM, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日1998-05-28
公開日1998-09-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Understanding the role of the essential Asp251 in cytochrome p450cam using site-directed mutagenesis, crystallography, and kinetic solvent isotope effect.
Biochemistry, 37, 1998
4WYF
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BU of 4wyf by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a DSF fragment hit
分子名称: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, N-(1-oxo-1H-inden-5-yl)acetamide, PYRIDOXAL-5'-PHOSPHATE
著者Barry, C.F, Dai, R.
登録日2014-11-17
公開日2015-07-08
最終更新日2015-07-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA.
J.Med.Chem., 58, 2015
4XIS
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BU of 4xis by Molmil
A METAL-MEDIATED HYDRIDE SHIFT MECHANISM FOR XYLOSE ISOMERASE BASED ON THE 1.6 ANGSTROMS STREPTOMYCES RUBIGINOSUS STRUCTURES WITH XYLITOL AND D-XYLOSE
分子名称: D-xylose, MANGANESE (II) ION, XYLOSE ISOMERASE, ...
著者Whitlow, M, Howard, A.J.
登録日1991-03-25
公開日1992-07-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A metal-mediated hydride shift mechanism for xylose isomerase based on the 1.6 A Streptomyces rubiginosus structures with xylitol and D-xylose.
Proteins, 9, 1991
2C2C
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BU of 2c2c by Molmil
REFINEMENT OF THE CRYSTAL STRUCTURE OF OXIDIZED RHODOSPIRILLUM RUBRUM CYTOCHROME C2
分子名称: CYTOCHROME C2, HEME C
著者Bhatia, G, Finzel, B.C, Kraut, J.
登録日1983-11-03
公開日1984-02-02
最終更新日2021-03-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Refinement of the Crystal Structure of Oxidized Rhodospirillum Rubrum Cytochrome C2
Thesis, 1981
4CCP
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X-RAY STRUCTURES OF RECOMBINANT YEAST CYTOCHROME C PEROXIDASE AND THREE HEME-CLEFT MUTANTS PREPARED BY SITE-DIRECTED MUTAGENESIS
分子名称: PROTOPORPHYRIN IX CONTAINING FE, YEAST CYTOCHROME C PEROXIDASE
著者Wang, J, Mauro, J.M, Edwards, S.L, Oatley, S.J, Fishel, L.A, Ashford, V.A, Xuong, N.-H, Kraut, J.
登録日1990-02-28
公開日1991-07-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray structures of recombinant yeast cytochrome c peroxidase and three heme-cleft mutants prepared by site-directed mutagenesis.
Biochemistry, 29, 1990
2Q1L
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BU of 2q1l by Molmil
Design and Synthesis of Pyrrole-based, Hepatoselective HMG-CoA Reductase Inhibitors
分子名称: (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
著者Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C.
登録日2007-05-24
公開日2007-07-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
1AK9
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BU of 1ak9 by Molmil
SUBTILISIN MUTANT 8321
分子名称: CALCIUM ION, ISOPROPYL ALCOHOL, SODIUM ION, ...
著者Whitlow, M, Howard, A.J, Wood, J.F.
登録日1997-05-30
公開日1997-11-12
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Large increases in general stability for subtilisin BPN' through incremental changes in the free energy of unfolding.
Biochemistry, 28, 1989
1AQN
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BU of 1aqn by Molmil
SUBTILISIN MUTANT 8324
分子名称: CALCIUM ION, ISOPROPYL ALCOHOL, SUBTILISIN 8324, ...
著者Whitlow, M, Howard, A.J, Wood, J.F.
登録日1997-07-31
公開日1998-01-14
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Large increases in general stabilityfor subtilisin BPN' through incremental changes in the free energy of unfolding
To be published
1AU9
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BU of 1au9 by Molmil
SUBTILISIN BPN' MUTANT 8324 IN CITRATE
分子名称: CALCIUM ION, ISOPROPYL ALCOHOL, SUBTILISIN BPN', ...
著者Whitlow, M, Howard, A.J, Wood, J.F.
登録日1997-09-12
公開日1997-12-31
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Large increases in general stability for subtilisin BPN' through incremental changes in the free energy of unfolding.
Biochemistry, 28, 1989
1BHQ
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BU of 1bhq by Molmil
MAC-1 I DOMAIN CADMIUM COMPLEX
分子名称: ACETYL GROUP, CADMIUM ION, CD11B
著者Baldwin, E.T.
登録日1998-06-10
公開日1998-11-04
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cation binding to the integrin CD11b I domain and activation model assessment
Structure, 6, 1998
1BHO
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BU of 1bho by Molmil
MAC-1 I DOMAIN MAGNESIUM COMPLEX
分子名称: CD11B, MAGNESIUM ION
著者Baldwin, E.T.
登録日1998-06-10
公開日1998-11-04
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cation binding to the integrin CD11b I domain and activation model assessment
Structure, 6, 1998
1GJM
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BU of 1gjm by Molmil
Covalent attachment of an electroactive sulphydryl reagent in the active site of cytochrome P450cam
分子名称: CYTOCHROME P450-CAM, N-(2-FERROCENYLETHYL)MALEIMIDE, PROTOPORPHYRIN IX CONTAINING FE
著者Fulop, V.
登録日2001-07-26
公開日2001-07-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Covalent Attachment of an Electroactive Sulphydryl Reagent in the Active Site of Cytochrome P450Cam as Revealed by the Crystal Structure of the Modified Protein
J.Am.Chem.Soc., 120, 1998
1UYU
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Xenon COMPLEX OF wildtype P450CAM FROM PSEUDOMONAS PUTIDA
分子名称: CAMPHOR, CYTOCHROME P450-CAM, POTASSIUM ION, ...
著者Wade, R.C, Winn, P.J, Schlichting, I, Sudarko, X.
登録日2004-03-02
公開日2005-03-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Survey of Active Site Access Channels in Cytochromes P450
J.Inorg.Biochem., 98, 2004
5KMC
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Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) non-nucleotidic covalent intermediate complex
分子名称: Histidine triad nucleotide-binding protein 1, [2-(1~{H}-indol-3-yl)ethylamino]phosphonic acid
著者Maize, K.M, Finzel, B.C.
登録日2016-06-26
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural Biology for Drug Design: Applications in Two Systems
THESIS, University of Minnesota Digital Conservancy, 2016
2PHB
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An Orally Efficacious Factor Xa Inhibitor
分子名称: (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, ...
著者Zhang, E, Kohrt, J.T, Bigge, C.F, Finzel, B.C.
登録日2007-04-10
公開日2008-03-25
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
2Q6C
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Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors
分子名称: (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
著者Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C.
登録日2007-06-04
公開日2007-07-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2PR3
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Factor XA inhibitor
分子名称: (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, ...
著者Zhang, E, Kohrt, J.T, Bigge, C.F, Finzel, B.C.
登録日2007-05-03
公開日2007-08-14
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
2Q1J
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The discovery of glycine and related amino acid-based factor xa inhibitors
分子名称: 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, ...
著者Kohrt, J.T, Filipski, K.J, Cody, W.L, Bigge, C.F, Zhang, E, Finzel, B.C.
登録日2007-05-24
公開日2007-08-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Discovery of Glycine and Related Amino Acid-Based Factor Xa Inhibitors
BIOORG.MED.CHEM., 14, 2006
2Q6B
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Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors
分子名称: (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
著者Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C.
登録日2007-06-04
公開日2007-07-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2R4F
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Substituted Pyrazoles as Hepatselective HMG-COA reductase inhibitors
分子名称: (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
著者Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C.
登録日2007-08-31
公開日2008-04-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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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