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5IBH
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Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26h
Descriptor: 4,4'-(5-{[(1H-imidazol-4-yl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.0201 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
5IBG
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BU of 5ibg by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 25b
Descriptor: 3'-amino-5-[5-amino-3-(4-hydroxyphenyl)-1H-pyrazol-4-yl][1,1'-biphenyl]-2-ol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
5IBF
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Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 19a
Descriptor: 4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-5-amine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
1Z10
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BU of 1z10 by Molmil
Crystal Structure of Human Microsomal P450 2A6 with Coumarin Bound
Descriptor: COUMARIN, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Yano, J.K, Hsu, M.H, Griffin, K.J, Stout, C.D, Johnson, E.F.
Deposit date:2005-03-02
Release date:2005-08-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of human microsomal cytochrome P450 2A6 complexed with coumarin and methoxsalen
Nat.Struct.Mol.Biol., 12, 2005
5IKI
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BU of 5iki by Molmil
CYP106A2 WITH SUBSTRATE ABIETIC ACID
Descriptor: Abietic acid, Cytochrome P450(MEG), PROTOPORPHYRIN IX CONTAINING FE
Authors:Janocha, S, Carius, Y, Bernhardt, R, Lancaster, C.R.D.
Deposit date:2016-03-03
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of CYP106A2 in Substrate-Free and Substrate-Bound Form.
Chembiochem, 17, 2016
2PG7
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BU of 2pg7 by Molmil
Crystal Structure of Human Microsomal P450 2A6 N297Q/I300V
Descriptor: Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sansen, S, Hsu, M.H, Stout, C.D, Johnson, E.F.
Deposit date:2007-04-06
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insight into the altered substrate specificity of human cytochrome P450 2A6 mutants.
Arch.Biochem.Biophys., 464, 2007
5FYG
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BU of 5fyg by Molmil
Structure of CYP153A from Marinobacter aquaeolei in complex with hydroxydodecanoic acid
Descriptor: 12-HYDROXYDODECANOIC ACID, CYTOCHROME P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Danesh-Azari, H.-R, Spandolf, C, Hoffman, S.M, Weissenborn, M, Hauer, B, Grogan, G.
Deposit date:2016-03-07
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structure-Guided Redesign of CYP153AM.aqfor the Improved Terminal Hydroxylation of Fatty Acids
Chemcatchem, 2016
5IBD
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BU of 5ibd by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 24a
Descriptor: 4-(3'-amino[1,1'-biphenyl]-3-yl)-3-(4-methoxyphenyl)-1H-pyrazol-5-amine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
1ZOA
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BU of 1zoa by Molmil
Crystal Structure Of A328V Mutant Of The Heme Domain Of P450Bm-3 With N-Palmitoylglycine
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450:NADPH-P450 reductase, GLYCEROL, ...
Authors:Hegda, A, Chen, B, Haines, D.C, Bondlela, M, Mullin, D, Graham, S.E, Tomchick, D.R, Machius, M, Peterson, J.A.
Deposit date:2005-05-12
Release date:2006-08-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:A single active-site mutation of P450BM-3 dramatically enhances substrate binding and rate of product formation.
Biochemistry, 50, 2011
2Q9G
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Crystal structure of human cytochrome P450 46A1
Descriptor: Cytochrome P450 46A1, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
Authors:White, M.A, Mast, N.V, Johnson, E.F, Stout, C.D, Pikuleva, I.A.
Deposit date:2007-06-12
Release date:2008-06-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of substrate-bound and substrate-free cytochrome P450 46A1, the principal cholesterol hydroxylase in the brain.
Proc.Natl.Acad.Sci.Usa, 105, 2008
5IT1
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BU of 5it1 by Molmil
Streptomyces peucetius CYP105P2 complex with biphenyl compound
Descriptor: 4,4'-PROPANE-2,2-DIYLDIPHENOL, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450
Authors:Lee, C.W, Lee, J.H.
Deposit date:2016-03-16
Release date:2016-06-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Cytochrome P450 (CYP105P2) from Streptomyces peucetius and Its Conformational Changes in Response to Substrate Binding
Int J Mol Sci, 17, 2016
1FAG
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BU of 1fag by Molmil
STRUCTURE OF CYTOCHROME P450
Descriptor: CYTOCHROME P450 BM-3, PALMITOLEIC ACID, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, H.Y, Poulos, T.L.
Deposit date:1996-08-01
Release date:1997-02-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structure of the cytochrome p450BM-3 haem domain complexed with the fatty acid substrate, palmitoleic acid.
Nat.Struct.Biol., 4, 1997
2QBO
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BU of 2qbo by Molmil
Crystal structure of the P450cam G248V mutant in the cyanide bound state
Descriptor: CAMPHOR, CYANIDE ION, Cytochrome P450-cam, ...
Authors:von Koenig, K, Makris, T.M, Sligar, S.D, Schlichting, I.
Deposit date:2007-06-18
Release date:2007-12-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Alteration of P450 Distal Pocket Solvent Leads to Impaired Proton Delivery and Changes in Heme Geometry.
Biochemistry, 46, 2007
5X23
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BU of 5x23 by Molmil
Crystal structure of CYP2C9 genetic variant A477T (*30) in complex with multiple losartan molecules
Descriptor: Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Maekawa, K, Adachi, M, Shah, M.B.
Deposit date:2017-01-30
Release date:2017-10-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9
Biochemistry, 56, 2017
1ZO4
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BU of 1zo4 by Molmil
Crystal Structure Of A328S Mutant Of The Heme Domain Of P450BM-3
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450:NADPH-P450 reductase, GLYCEROL, ...
Authors:Hegda, A, Chen, B, Haines, D.C, Bondlela, M, Mullin, D, Graham, S.E, Tomchick, D.R, Machius, M, Peterson, J.A.
Deposit date:2005-05-12
Release date:2006-08-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:A single active-site mutation of P450BM-3 dramatically enhances substrate binding and rate of product formation.
Biochemistry, 50, 2011
5WP2
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BU of 5wp2 by Molmil
1.44 Angstrom crystal structure of CYP121 from Mycobacterium tuberculosis in complex with substrate and CN
Descriptor: (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, CYANIDE ION, Mycocyclosin synthase, ...
Authors:Fielding, A, Dornevil, K, Liu, A.
Deposit date:2017-08-03
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.439 Å)
Cite:Probing Ligand Exchange in the P450 Enzyme CYP121 from Mycobacterium tuberculosis: Dynamic Equilibrium of the Distal Heme Ligand as a Function of pH and Temperature.
J. Am. Chem. Soc., 139, 2017
5IRV
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BU of 5irv by Molmil
Human cytochrome P450 17A1 bound to inhibitor VT-464
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase, VT-464
Authors:Scott, E.E, Petrunak, E.M.
Deposit date:2016-03-14
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.098 Å)
Cite:Structural and Functional Evaluation of Clinically Relevant Inhibitors of Steroidogenic Cytochrome P450 17A1.
Drug Metab. Dispos., 45, 2017
5WBG
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BU of 5wbg by Molmil
Crystal Structure of human Cytochrome P450 2B6 (Y226H/K262R) in complex with an analog of a drug Efavirenz
Descriptor: (2R,4S)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, 5-cyclohexylpentan-1-ol, ...
Authors:Shah, M.B, Halpert, J.R.
Deposit date:2017-06-29
Release date:2018-05-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Crystal Structure of CYP2B6 in Complex with an Efavirenz Analog.
Int J Mol Sci, 19, 2018
5IBE
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BU of 5ibe by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 25a
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[5-amino-4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-3-yl]phenol, Mycocyclosin synthase, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.624 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
5IBI
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BU of 5ibi by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26a
Descriptor: 4,4'-(5-{[(4-hydroxyphenyl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
5XA3
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BU of 5xa3 by Molmil
Crystal Structure of P450BM3 with Benzyloxycarbonyl-L-prolyl-L-phenylalanine
Descriptor: Bifunctional cytochrome P450/NADPH-P450 reductase, DIMETHYL SULFOXIDE, PHENYLALANINE, ...
Authors:Shoji, O, Yanagisawa, S, Stanfield, J.K, Suzuki, K, Kasai, C, Cong, Z, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:2017-03-10
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Direct Hydroxylation of Benzene to Phenol by Cytochrome P450BM3 Triggered by Amino Acid Derivatives.
Angew. Chem. Int. Ed. Engl., 56, 2017
1IO8
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BU of 1io8 by Molmil
Thermophilic cytochrome P450 (CYP119) from sulfolobus solfataricus: High resolution structural origin of its thermostability and functional properties
Descriptor: CYTOCHROME P450 CYP119, PROTOPORPHYRIN IX CONTAINING FE
Authors:Park, S.-Y, Yamane, K, Adachi, S, Shiro, Y, Sligar, S.G, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2001-02-08
Release date:2001-03-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Thermophilic cytochrome P450 (CYP119) from Sulfolobus solfataricus: high resolution structure and functional properties
J.Inorg.Biochem., 91, 2002
2A1M
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BU of 2a1m by Molmil
Crystal structure of ferrous dioxygen complex of wild-type cytochrome P450cam
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Cytochrome P450-cam, ...
Authors:Nagano, S, Poulos, T.L.
Deposit date:2005-06-20
Release date:2005-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic study on the dioxygen complex of wild-type and mutant cytochrome P450cam. Implications for the dioxygen activation mechanism
J.Biol.Chem., 280, 2005
5VCC
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BU of 5vcc by Molmil
Crystal structure of human CYP3A4 bound to glycerol
Descriptor: 1,2-ETHANEDIOL, Cytochrome P450 3A4, GLYCEROL, ...
Authors:Sevrioukova, I.
Deposit date:2017-03-31
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High-Level Production and Properties of the Cysteine-Depleted Cytochrome P450 3A4.
Biochemistry, 56, 2017
1FAH
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BU of 1fah by Molmil
STRUCTURE OF CYTOCHROME P450
Descriptor: CYTOCHROME P450 BM-3, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, H.Y, Poulos, T.L.
Deposit date:1996-08-01
Release date:1997-02-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The role of Thr268 in oxygen activation of cytochrome P450BM-3.
Biochemistry, 34, 1995

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