1WIY
 
 | | Crystal Structure Analysis of a 6-coordinated Cytochorome P450 from Thermus thermophilus HB8 | | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kousumi, Y, Nakagawa, N, Kaneko, M, Yamamoto, H, Masui, R, Kuramitsu, S, Ueyama, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2004-05-28 | | Release date: | 2004-11-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure Analysis of Cytochrome P450 from Thermus thermophilus HB8
To be Published
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1N4G
 | | Structure of CYP121, a Mycobacterial P450, in Complex with Iodopyrazole | | Descriptor: | 4-IODOPYRAZOLE, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Leys, D, Mowat, C.G, McLean, K.J, Richmond, A, Chapman, S.K, Walkinshaw, M.D, Munro, A.W, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2002-10-31 | | Release date: | 2003-02-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Atomic structure of Mycobacterium tuberculosis CYP121 to 1.06 A reveals novel features of cytochrome P450.
J.Biol.Chem., 278, 2003
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1N40
 | | Atomic structure of CYP121, a mycobacterial P450 | | Descriptor: | Cytochrome P450 121, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Leys, D, Mowat, C.G, McLean, K.J, Richmond, A, Chapman, S.K, Walkinshaw, M.D, Munro, A.W, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2002-10-30 | | Release date: | 2003-02-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Atomic structure of Mycobacterium tuberculosis CYP121 to 1.06 A reveals novel features of cytochrome P450.
J.Biol.Chem., 278, 2003
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2RCL
 | | Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase (AOS, cytochrome P450 74A, CYP74A) Complexed with 12R,13S-Vernolic Acid at 2.4 A resolution | | Descriptor: | (9Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid, Cytochrome P450 74A, GLYCEROL, ... | | Authors: | Lee, D.S, Nioche, P, Raman, C.S. | | Deposit date: | 2007-09-20 | | Release date: | 2008-08-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes.
Nature, 455, 2008
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2RCM
 | | Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase variant (F137L) (At-AOS(F137L), cytochrome P450 74A) at 1.73 A Resolution | | Descriptor: | Cytochrome P450 74A, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lee, D.S, Nioche, P, Raman, C.S. | | Deposit date: | 2007-09-20 | | Release date: | 2008-08-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes.
Nature, 455, 2008
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4NKX
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4NKY
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4NKW
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7ANT
 | | Structure of CYP153A from Polaromonas sp. | | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450, HEME C | | Authors: | Zukic, E, Rowlinson, B, Sharma, M, Hoffman, S, Hauer, B, Grogan, G. | | Deposit date: | 2020-10-12 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Substrate Anchoring and Flexibility Reduction in CYP153AM.aq Leads to Highly Improved Efficiency toward Octanoic Acid
Acs Catalysis, 11, 2021
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7AO7
 | | Structure of CYP153A from Polaromonas sp. in complex with octan-1-ol | | Descriptor: | Cytochrome P450, OCTAN-1-OL, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Zukic, E, Rowlinson, B, Sharma, M, Hoffmann, S, Hauer, B, Grogan, G. | | Deposit date: | 2020-10-13 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Substrate Anchoring and Flexibility Reduction in CYP153AM.aq Leads to Highly Improved Efficiency toward Octanoic Acid
Acs Catalysis, 11, 2021
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7AYX
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8VFR
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8VFP
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8VL0
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7SHI
 | | Crystal Structure of Cytochrome P450 AmphL from Streptomyces nodosus and the Structural Basis for Substrate Selectivity in Macrolide Metabolizing P450s | | Descriptor: | (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,22E,33S,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,22-diene-36-carboxylic acid, AmphL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Amaya, J.A, Poulos, T.L. | | Deposit date: | 2021-10-08 | | Release date: | 2022-03-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.00002766 Å) | | Cite: | Structural analysis of P450 AmphL from Streptomyces nodosus provides insights into substrate selectivity of polyene macrolide antibiotic biosynthetic P450s.
J.Biol.Chem., 298, 2022
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5IUT
 | | STRUCTURE OF P450 2B4 F202W MUTANT | | Descriptor: | 3,6,9,12,15,18-hexaoxahexacosan-1-ol, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Jang, H.-H, Halpert, J.R, Shah, M.B. | | Deposit date: | 2016-03-18 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Effect of detergent binding on cytochrome P450 2B4 structure as analyzed by X-ray crystallography and deuterium-exchange mass spectrometry.
Biophys.Chem., 216, 2016
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8VKF
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4FB2
 | | Crystal Structure of Substrate-Free P450cin | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, P450cin, ... | | Authors: | Madrona, Y, Tripathi, S.M, Li, H, Poulos, T.L. | | Deposit date: | 2012-05-22 | | Release date: | 2012-07-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Crystal structures of substrate-free and nitrosyl cytochrome p450cin: implications for o(2) activation.
Biochemistry, 51, 2012
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5JKV
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7SMZ
 | | X-ray crystal structure of CYP142A3 from Mycobacterium Marinum in complex with 4-cholesten-3-one | | Descriptor: | (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, ACETATE ION, Cytochrome P450 142A3, ... | | Authors: | Ghith, A, Bruning, J.B, Bell, S.G. | | Deposit date: | 2021-10-27 | | Release date: | 2022-09-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | The Structures of the Steroid Binding CYP142 Cytochrome P450 Enzymes from Mycobacterium ulcerans and Mycobacterium marinum.
Acs Infect Dis., 8, 2022
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7OW9
 | | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with Cyclo-L-leucyl-L-leucine | | Descriptor: | (3S,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione, CYPX, NITRATE ION, ... | | Authors: | Snee, M, Levy, C, Leys, D, Katariya, M, Munro, A.W. | | Deposit date: | 2021-06-17 | | Release date: | 2021-08-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with Cyclo-L-leucyl-L-leucine
To Be Published
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7SH5
 | | Crystal structure of CYP142A3 from Mycobacterium ulcerans bound to Cholest-4-en-3-one | | Descriptor: | (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, ACETATE ION, Cytochrome P450 142A3, ... | | Authors: | Doherty, D.Z, Bell, S.G, Bruning, J. | | Deposit date: | 2021-10-08 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | The Structures of the Steroid Binding CYP142 Cytochrome P450 Enzymes from Mycobacterium ulcerans and Mycobacterium marinum.
Acs Infect Dis., 8, 2022
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7S3T
 | | NzeB Diketopiperazine Dimerase Mutant: Q68I-G87A-A89G-I90V | | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Harris, N.R, Shende, V.V, Sanders, J.N, Newmister, S.A, Khatri, Y, Movassaghi, M, Houk, K.N, Sherman, D.H. | | Deposit date: | 2021-09-08 | | Release date: | 2022-10-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases.
Angew.Chem.Int.Ed.Engl., 2023
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5JKW
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5JLC
 | | Structure of CYP51 from the pathogen Candida glabrata | | Descriptor: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, CHLORIDE ION, Lanosterol 14-alpha demethylase, ... | | Authors: | Keniya, M.V, Sabherwal, M, Wilson, R.K, Sagatova, A.A, Tyndall, J.D.A, Monk, B.C. | | Deposit date: | 2016-04-26 | | Release date: | 2016-05-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of Full-Length Lanosterol 14 alpha-Demethylases of Prominent Fungal Pathogens Candida albicans and Candida glabrata Provide Tools for Antifungal Discovery.
Antimicrob.Agents Chemother., 62, 2018
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