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2BPO
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BU of 2bpo by Molmil
Crystal structure of the yeast CPR triple mutant: D74G, Y75F, K78A.
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Yermalitskaya, L.V, Kim, Y, Waterman, M.R, Podust, L.M.
Deposit date:2005-04-21
Release date:2006-07-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of the Yeast Cpr Triple Mutant: D74G, Y75F, K78A.
To be Published
2BZ9
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BU of 2bz9 by Molmil
Ligand-free structure of sterol 14alpha-demethylase from Mycobacterium tuberculosis in P2(1) space group
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, STEROL 14ALPHA-DEMETHYLASE
Authors:Yermalitskaya, L.V, Waterman, M.R, Podust, L.M.
Deposit date:2005-08-12
Release date:2006-12-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography
Antimicrob.Agents Chemother., 51, 2007
1X8V
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BU of 1x8v by Molmil
Estriol-bound and ligand-free structures of sterol 14alpha-demethylase (CYP51)
Descriptor: Cytochrome P450 51, ESTRIOL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M, Yermalitskaya, L.V, Lepesheva, G.I, Podust, V.N, Dalmasso, E.A, Waterman, M.R.
Deposit date:2004-08-18
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Estriol Bound and Ligand-free Structures of Sterol 14alpha-Demethylase.
Structure, 12, 2004
1U13
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BU of 1u13 by Molmil
Crystal structure analysis of the C37L/C151T/C442A-triple mutant of CYP51 from Mycobacterium tuberculosis
Descriptor: Cytochrome P450 51, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M, Yermalitskaya, L.V, Kim, Y, Waterman, M.R.
Deposit date:2004-07-14
Release date:2004-07-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure analysis of the C37L/C151T/C442A-triple mutant of CYP51 from Mycobacterium tuberculosis
To be published
2BF4
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BU of 2bf4 by Molmil
A second FMN-binding site in yeast NADPH-cytochrome P450 reductase suggests a novel mechanism of electron transfer by diflavin reductases.
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Podust, L.M, Lepesheva, G.I, Kim, Y, Yermalitskaya, L.V, Yermalitsky, V.N, Lamb, D.C, Kelly, S.L, Waterman, M.R.
Deposit date:2004-12-03
Release date:2006-01-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:A Second Fmn-Binding Site in Yeast Nadph-Cytochrome P450 Reductase Suggests a Mechanism of Electron Transfer by Diflavin Reductases.
Structure, 14, 2006
2C6H
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BU of 2c6h by Molmil
Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1)
Descriptor: 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M.
Deposit date:2005-11-09
Release date:2006-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
2CI0
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BU of 2ci0 by Molmil
High throughput screening and x-ray crystallography assisted evaluation of small molecule scaffolds for CYP51 inhibitors
Descriptor: (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M, Kim, Y, Yermalitskaya, L.V, Von Kries, J.P, Waterman, M.R.
Deposit date:2006-03-16
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography
Antimicrob.Agents Chemother., 51, 2007
2C7X
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BU of 2c7x by Molmil
Crystal structure of narbomycin-bound cytochrome P450 PikC (CYP107L1)
Descriptor: CYTOCHROME P450 MONOOXYGENASE, NARBOMYCIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M.
Deposit date:2005-11-29
Release date:2006-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
2BVJ
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BU of 2bvj by Molmil
Ligand-free structure of cytochrome P450 PikC (CYP107L1)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-MERCAPTOETHANOL, CYTOCHROME P450 MONOOXYGENASE, ...
Authors:Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M.
Deposit date:2005-06-28
Release date:2006-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
2CIB
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BU of 2cib by Molmil
High throughput screening and x-ray crystallography assisted evaluation of small molecule scaffolds for CYP51 inhibitors
Descriptor: (2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-PHENYL-N-PYRIDIN-4-YLACETAMIDE, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M, Kim, Y, Yermalitskaya, L.V, Von Kries, J.P, Waterman, M.R.
Deposit date:2006-03-17
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography
Antimicrob.Agents Chemother., 51, 2007
2BN4
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BU of 2bn4 by Molmil
A second FMN-binding site in yeast NADPH-cytochrome P450 reductase suggests a novel mechanism of electron transfer by diflavin reductase
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Podust, L.M, Lepesheva, G.I, Kim, Y, Yermalitskaya, L.V, Yermalitsky, V.N, Lamb, D.C, Kelly, S.L, Waterman, M.R.
Deposit date:2005-03-18
Release date:2006-01-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:A Second Fmn-Binding Site in Yeast Nadph-Cytochrome P450 Reductase Suggests a Mechanism of Electron Transfer by Diflavin Reductases.
Structure, 14, 2006
1H5Z
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BU of 1h5z by Molmil
CYTOCHROME P450 14 ALPHA-STEROL DEMETHYLASE (CYP51) FROM MYCOBACTERIUM TUBERCULOSIS IN FERRIC LOW-SPIN STATE
Descriptor: CYTOCHROME P450 51, FE (II) ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M, Arase, M, Waterman, M.R.
Deposit date:2001-05-31
Release date:2003-10-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Estriol Bound and Ligand-Free Structures of Sterol 14Alpha-Demethylase.
Structure, 12, 2004
2CD8
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BU of 2cd8 by Molmil
Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1)
Descriptor: 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yermalitskaya, L.I, Kim, Y, Sherman, D.H, Waterman, M.R, Podust, L.M.
Deposit date:2006-01-20
Release date:2007-02-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
2W0B
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BU of 2w0b by Molmil
CYP51 OF M. TUBERCULOSIS BOUND TO AN INHIBITOR 3-{[(4-METHYLPHENYL)SULFONYL]AMINO}PROPYL PYRIDIN-4-YLCARBAMATE
Descriptor: 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M.
Deposit date:2008-08-12
Release date:2009-01-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Trypanosoma cruzi CYP51 inhibitor derived from a Mycobacterium tuberculosis screen hit.
Plos Negl Trop Dis, 3, 2009
2W09
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BU of 2w09 by Molmil
CYP51 OF M. TUBERCULOSIS BOUND TO AN INHIBITOR CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE
Descriptor: CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M.
Deposit date:2008-08-12
Release date:2009-01-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Trypanosoma Cruzi Cyp51 Inhibitor Derived from a Mycobacterium Tuberculosis Screen Hit.
Plos Negl Trop Dis, 3, 2009
2W0A
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BU of 2w0a by Molmil
CYP51 of M. tuberculosis bound to an inhibitor N-[(1S)-2-METHYL-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE
Descriptor: CYTOCHROME P450 51, N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M.
Deposit date:2008-08-12
Release date:2009-01-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Trypanosoma Cruzi Cyp51 Inhibitor Derived from a Mycobacterium Tuberculosis Screen Hit.
Plos Negl Trop Dis, 3, 2009

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