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1NOO
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CYTOCHROME P450-CAM COMPLEXED WITH 5-EXO-HYDROXYCAMPHOR
Descriptor: 5-EXO-HYDROXYCAMPHOR, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, H.Y, Poulos, T.L.
Deposit date:1995-12-02
Release date:1996-03-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Cytochrome P450-Cam Complexed with its Catalytic Product, 5-Exo-Hydroxycamphor
J.Am.Chem.Soc., 117, 1995
4R20
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BU of 4r20 by Molmil
Zebra fish cytochrome P450 17A2 with Abiraterone
Descriptor: Abiraterone, Cytochrome P450 family 17 polypeptide 2, MERCURY (II) ION, ...
Authors:Pallan, P.S, Egli, M.
Deposit date:2014-08-08
Release date:2014-12-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structural and Kinetic Basis of Steroid 17 alpha, 20-Lyase Activity in Teleost Fish Cytochrome P450 17A1 and Its Absence in Cytochrome P450 17A2.
J.Biol.Chem., 290, 2015
1OG2
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BU of 1og2 by Molmil
Structure of human cytochrome P450 CYP2C9
Descriptor: CYTOCHROME P450 2C9, HEME C
Authors:Williams, P.A, Cosme, J, Ward, A, Angove, H.C, Matak Vinkovic, D, Jhoti, H.
Deposit date:2003-04-23
Release date:2003-07-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Human Cytochrome P450 2C9 with Bound Warfarin
Nature, 424, 2003
4R21
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Zebra fish cytochrome P450 17A2 with Progesterone
Descriptor: Cytochrome P450 family 17 polypeptide 2, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pallan, P.S, Egli, M.
Deposit date:2014-08-08
Release date:2014-12-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and Kinetic Basis of Steroid 17 alpha, 20-Lyase Activity in Teleost Fish Cytochrome P450 17A1 and Its Absence in Cytochrome P450 17A2.
J.Biol.Chem., 290, 2015
2L8M
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BU of 2l8m by Molmil
Reduced and CO-bound cytochrome P450cam (CYP101A1)
Descriptor: CAMPHOR, CARBON MONOXIDE, CHLORIDE ION, ...
Authors:Pochapsky, T.C, Pochapsky, S.S, Dang, M, Asciutto, E, Madura, J.
Deposit date:2011-01-19
Release date:2011-02-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Experimentally Restrained Molecular Dynamics Simulations for Characterizing the Open States of Cytochrome P450(cam).
Biochemistry, 50, 2011
2LQD
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Reduced and CO-bound cytochrome P450cam (CYP101A1)
Descriptor: CARBON MONOXIDE, Camphor 5-monooxygenase, POTASSIUM ION, ...
Authors:Pochapsky, T.C, Pochapsky, S.S, Asciutto, E, Madura, J, Young, M.J.
Deposit date:2012-03-02
Release date:2012-05-09
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution Structural Ensembles of Substrate-Free Cytochrome P450(cam).
Biochemistry, 51, 2012
2J4S
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BU of 2j4s by Molmil
P450 BM3 heme domain in complex with DMSO
Descriptor: BIFUNCTIONAL P-450:NADPH-P450 REDUCTASE, DI(HYDROXYETHYL)ETHER, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kuper, J, Tuck-Seng, W, Roccatano, D, Wilmanns, M, Schwaneberg, U.
Deposit date:2006-09-05
Release date:2007-05-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Understanding a Mechanism of Organic Cosolvent Inactivation in Heme Monooxygenase P450 Bm-3.
J.Am.Chem.Soc., 129, 2007
2J1M
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P450 BM3 Heme domain in complex with DMSO
Descriptor: CYTOCHROME P450 102, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kuper, J, Tuck-Seng, W, Roccatano, D, Wilmanns, M, Schwaneberg, U.
Deposit date:2006-08-14
Release date:2007-05-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Understanding a Mechanism of Organic Cosolvent Inactivation in Heme Monooxygenase P450 Bm-3.
J.Am.Chem.Soc., 129, 2007
2J0D
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Crystal structure of human P450 3A4 in complex with erythromycin
Descriptor: CYTOCHROME P450 3A4, ERYTHROMYCIN A, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sjogren, T, Ekroos, M.
Deposit date:2006-08-02
Release date:2006-09-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural Basis for Ligand Promiscuity in Cytochrome P450 3A4
Proc.Natl.Acad.Sci.USA, 103, 2006
2JJN
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Structure of closed cytochrome P450 EryK
Descriptor: CYTOCHROME P450 113A1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Savino, C, Sciara, G, Miele, A.E, Kendrew, S.G, Vallone, B.
Deposit date:2008-04-15
Release date:2009-07-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Investigating the Structural Plasticity of a Cytochrome P450: Three-Dimensional Structures of P450 Eryk and Binding to its Physiological Substrate.
J.Biol.Chem., 284, 2009
2JJO
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Structure of cytochrome P450 EryK in complex with its natural substrate erD
Descriptor: CYTOCHROME P450 113A1, Erythromycin D, PROTOPORPHYRIN IX CONTAINING FE
Authors:Savino, C, Sciara, G, Miele, A.E, Kendrew, S.G, Vallone, B.
Deposit date:2008-04-15
Release date:2009-07-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Investigating the Structural Plasticity of a Cytochrome P450: Three-Dimensional Structures of P450 Eryk and Binding to its Physiological Substrate.
J.Biol.Chem., 284, 2009
2NNI
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CYP2C8dH complexed with montelukast
Descriptor: Cytochrome P450 2C8, MONTELUKAST, PALMITIC ACID, ...
Authors:Schoch, G.A, Yano, J.K, Stout, C.D, Johnson, E.F.
Deposit date:2006-10-24
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid.
J.Biol.Chem., 283, 2008
2JJP
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Structure of cytochrome P450 EryK in complex with inhibitor ketoconazole (KC)
Descriptor: 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE, CYTOCHROME P450 113A1, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Savino, C, Sciara, G, Miele, A.E, Kendrew, S.G, Vallone, B.
Deposit date:2008-04-15
Release date:2009-07-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Azole Drugs Trap Cytochrome P450 Eryk in Alternative Conformational States.
Biochemistry, 49, 2010
2NNH
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CYP2C8dH complexed with 2 molecules of 9-cis retinoic acid
Descriptor: (9cis)-retinoic acid, Cytochrome P450 2C8, PALMITIC ACID, ...
Authors:Schoch, G.A, Yano, J.K, Stout, C.D, Johnson, E.F.
Deposit date:2006-10-24
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid.
J.Biol.Chem., 283, 2008
2NNJ
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BU of 2nnj by Molmil
CYP2C8dH complexed with felodipine
Descriptor: Cytochrome P450 2C8, FELODIPINE, PALMITIC ACID, ...
Authors:Schoch, G.A, Yano, J.K, Stout, C.D, Johnson, E.F.
Deposit date:2006-10-24
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid.
J.Biol.Chem., 283, 2008
2NNB
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BU of 2nnb by Molmil
The Q403K mutant heme domain of flavocytochrome P450 BM3
Descriptor: Bifunctional P-450:NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Clark, J.P, Anderson, J.L.R, Miles, C.S, Mowat, C.G, Reid, G.A, Chapman, S.K.
Deposit date:2006-10-24
Release date:2007-09-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Q403K mutant heme domain of flavocytochrome P450 BM3
To be published
2NZA
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BU of 2nza by Molmil
Structure and Function Studies of Cytochrome P450 158A1 from Streptomyces coelicolor A3(2)
Descriptor: Cytochrome P450 CYP158A1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Zhao, B, Waterman, M.R.
Deposit date:2006-11-22
Release date:2007-07-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Different binding modes of two flaviolin substrate molecules in cytochrome P450 158A1 (CYP158A1) compared to CYP158A2.
Biochemistry, 46, 2007
2NZ5
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BU of 2nz5 by Molmil
Structure and Function Studies of Cytochrome P450 158A1 from Streptomyces coelicolor A3(2)
Descriptor: Cytochrome P450 CYP158A1, PROTOPORPHYRIN IX CONTAINING FE, naphthalene-1,2,4,5,7-pentol
Authors:Zhao, B, Lamb, D.C, Kelly, S.L, Waterman, M.R.
Deposit date:2006-11-22
Release date:2007-07-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Different binding modes of two flaviolin substrate molecules in cytochrome P450 158A1 (CYP158A1) compared to CYP158A2.
Biochemistry, 46, 2007
6PQD
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BU of 6pqd by Molmil
The crystal structure of 3-methylthiobenzoate-bound CYP199A4
Descriptor: 3-(methylsulfanyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bruning, J.B, Bell, S.G.
Deposit date:2019-07-09
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions.
J.Inorg.Biochem., 203, 2019
6PQW
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The crystal structure of 3-methylbenzoate-bound CYP199A4
Descriptor: 3-methylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bruning, J.B, Bell, S.G.
Deposit date:2019-07-10
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.679 Å)
Cite:Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions.
J.Inorg.Biochem., 203, 2019
6Q2T
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Human sterol 14a-demethylase (CYP51) in complex with the functionally irreversible inhibitor (R)-N-(1-(3-chloro-4'-fluoro-[1,1'-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-(3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl)-1,3,4-oxadiazol-2-yl)benzamide
Descriptor: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, Lanosterol 14-alpha demethylase, N-[(1R)-1-(3-chloro-4'-fluoro[1,1'-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl}benzamide, ...
Authors:Friggeri, L, Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
Deposit date:2019-08-08
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Validation of Human Sterol 14 alpha-Demethylase (CYP51) Druggability: Structure-Guided Design, Synthesis, and Evaluation of Stoichiometric, Functionally Irreversible Inhibitors.
J.Med.Chem., 62, 2019
6Q2C
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BU of 6q2c by Molmil
Domain-swapped dimer of Acanthamoeba castellanii CYP51
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Obtusifoliol 14alphademethylase, ...
Authors:Sharma, V, Podust, L.M.
Deposit date:2019-08-07
Release date:2020-10-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Domain-Swap Dimerization of Acanthamoeba castellanii CYP51 and a Unique Mechanism of Inactivation by Isavuconazole.
Mol.Pharmacol., 98, 2020
1DT6
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BU of 1dt6 by Molmil
STRUCTURE OF MAMMALIAN CYTOCHROME P450 2C5
Descriptor: CYTOCHROME P450 2C5, PROTOPORPHYRIN IX CONTAINING FE, SAMARIUM (III) ION, ...
Authors:Williams, P.A, Cosme, J, Sridhar, V, Johnson, E.F, McRee, D.E.
Deposit date:2000-01-11
Release date:2000-09-27
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mammalian microsomal cytochrome P450 monooxygenase: structural adaptations for membrane binding and functional diversity.
Mol.Cell, 5, 2000
1DZ4
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ferric p450cam from pseudomonas putida
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYTOCHROME P450-CAM, ...
Authors:Schlichting, I, Berendzen, J, Chu, K, Stock, A.M, Maves, S.A, Benson, D.E, Sweet, R.M, Ringe, D, Petsko, G.A, Sligar, S.G.
Deposit date:2000-02-16
Release date:2000-07-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Catalytic Pathway of Cytochrome P450Cam at Atomic Resolution
Science, 287, 2000
1DZ9
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Putative oxo complex of P450cam from Pseudomonas putida
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYTOCHROME P450-CAM, ...
Authors:Schlichting, I, Berendzen, J, Chu, K, Stock, A.M, Maves, S.A, Benson, D.E, Sweet, R.M, Ringe, D, Petsko, G.A, Sligar, S.G.
Deposit date:2000-02-18
Release date:2000-03-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Catalytic Pathway of Cytochrome P450Cam at Atomic Resolution
Science, 287, 2000

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