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3ZSN
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BU of 3zsn by Molmil
Structure of the mixed-function P450 MycG F286A mutant in complex with mycinamicin IV
Descriptor: BENZAMIDINE, GLYCEROL, MYCINAMICIN IV, ...
Authors:Li, S, Kells, P.M, Rutaganira, F.U, Anzai, Y, Kato, F, Sherman, D.H, Podust, L.M.
Deposit date:2011-06-29
Release date:2012-05-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
3ZKP
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BU of 3zkp by Molmil
Structure of a mutant of P450 EryK in complex with erythromycin B.
Descriptor: ERYTHROMYCIN C-12 HYDROXYLASE, Erythromycin B, PROTOPORPHYRIN IX CONTAINING FE
Authors:Montemiglio, L.C, Vallone, B, Savino, C.
Deposit date:2013-01-24
Release date:2013-05-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Redirecting P450 Eryk Specificity by Rational Site-Directed Mutagenesis.
Biochemistry, 52, 2013
3ZG3
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BU of 3zg3 by Molmil
STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH THE PYRIDINE INHIBITOR N-(1-(5-(trifluoromethyl)(pyridin-2-yl)) piperidin-4yl)-N-(4-(trifluoromethyl)phenyl)pyridin-3-amine (EPL- BS967, UDD)
Descriptor: N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
Authors:Hargrove, T.Y, Wawrzak, Z, Keenan, M, Chatelain, E, Lepesheva, G.I.
Deposit date:2012-12-14
Release date:2013-09-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Complexes of Trypanosoma Cruzi Sterol 14Alpha-Demethylase (Cyp51) with Two Pyridine-Based Drug Candidates for Chagas Disease: Structural Basis for Pathogen-Selectivity
J.Biol.Chem., 288, 2013
6PRR
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BU of 6prr by Molmil
The crystal structure of 3-methylaminobenzoate-bound CYP199A4
Descriptor: 3-(methylamino)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bruning, J.B, Bell, S.G.
Deposit date:2019-07-11
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions.
J.Inorg.Biochem., 203, 2019
6PQ6
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BU of 6pq6 by Molmil
The crystal structure of 3-methoxybenzoate-bound CYP199A4
Descriptor: 3-methoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G, Bruning, J.B.
Deposit date:2019-07-08
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.658 Å)
Cite:Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions.
J.Inorg.Biochem., 203, 2019
2IJ7
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BU of 2ij7 by Molmil
Structure of Mycobacterium tuberculosis CYP121 in complex with the antifungal drug fluconazole
Descriptor: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE
Authors:Roujeinikova, A, Leys, D.
Deposit date:2006-09-29
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the Mycobacterium tuberculosis P450 CYP121-fluconazole complex reveals new azole drug-P450 binding mode.
J.Biol.Chem., 281, 2006
6PQS
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BU of 6pqs by Molmil
The crystal structure of 4-methylbenzoate-bound CYP199A4
Descriptor: 4-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 (1.6 Å)
Cite:Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions.
J.Inorg.Biochem., 203, 2019
2IJ2
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BU of 2ij2 by Molmil
Atomic structure of the heme domain of flavocytochrome P450-BM3
Descriptor: Cytochrome P450 BM3, PROTOPORPHYRIN IX CONTAINING FE
Authors:Helen, H.S, Leys, D.
Deposit date:2006-09-29
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural and spectroscopic characterization of P450 BM3 mutants with unprecedented P450 heme iron ligand sets. New heme ligation states influence conformational equilibria in P450 BM3.
J.Biol.Chem., 282, 2007
6PRS
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BU of 6prs by Molmil
The crystal structure of 3-ethoxybenzoate-bound CYP199A4
Descriptor: 3-ethoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bruning, J.B, Bell, S.G.
Deposit date:2019-07-11
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.373 Å)
Cite:Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions.
J.Inorg.Biochem., 203, 2019
8Q5J
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BU of 8q5j by Molmil
Cytochrome P450 monooxygenase from Streptomyces scabiei (SscaCYP)
Descriptor: Cytochrome P450 107B1, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Opperman, D.J, Ebrecht, A.C.
Deposit date:2023-08-09
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Natural alternative heme-environments allow efficient peroxygenase activity by cytochrome P450 monooxygenases
Catalysis Science And Technology, 13, 2023
8QZE
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BU of 8qze by Molmil
Heme-domain BM3 variant 21B3_F87V-A328F
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, IMIDAZOLE, ...
Authors:Opperman, D.J, Ebrecht, A.C, Aschenbrenner, J.C.
Deposit date:2023-10-27
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Revisiting strategies and their combinatorial effect for introducing peroxygenase activity in CYP102A1 (P450BM3)
Mol Catal, 557, 2024
8QZF
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BU of 8qzf by Molmil
Heme-domain BM3 mutant T268E
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, DI(HYDROXYETHYL)ETHER, ...
Authors:Opperman, D.J, Ebrecht, A.C, Aschenbrenner, J.C.
Deposit date:2023-10-27
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Revisiting strategies and their combinatorial effect for introducing peroxygenase activity in CYP102A1 (P450BM3)
Mol Catal, 557, 2024
6T0H
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BU of 6t0h by Molmil
Crystal structure of CYP124 in complex with 1-alpha-hydroxy-vitamin D3
Descriptor: 1-alpha-hydroxy-vitamin D3, CHLORIDE ION, CYP124 in complex with inhibitor carbethoxyhexyl imidazole, ...
Authors:Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V.
Deposit date:2019-10-03
Release date:2020-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis.
J.Mol.Biol., 433, 2021
6T0G
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BU of 6t0g by Molmil
Crystal structure of CYP124 in complex with vitamin D3
Descriptor: (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLI DENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL, MAGNESIUM ION, Methyl-branched lipid omega-hydroxylase, ...
Authors:Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V.
Deposit date:2019-10-03
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis.
J.Mol.Biol., 433, 2021
8AMO
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BU of 8amo by Molmil
Crystal structure of M. tuberculosis CYP143
Descriptor: CHLORIDE ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Bukhdruker, S, Varaksa, T, Grudo, A, Marin, E, Kapranov, I, Shevtsov, M, Gilep, A, Strushkevich, N, Borshchevskiy, V.
Deposit date:2022-08-03
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural insights into 3Fe-4S ferredoxins diversity in M. tuberculosis highlighted by a first redox complex with P450.
Front Mol Biosci, 9, 2022
6T0J
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BU of 6t0j by Molmil
Crystal structure of CYP124 in complex with SQ109
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, GLYCEROL, ...
Authors:Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V.
Deposit date:2019-10-03
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Hydroxylation of Antitubercular Drug Candidate, SQ109, by Mycobacterial Cytochrome P450.
Int J Mol Sci, 21, 2020
6T0K
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BU of 6t0k by Molmil
Crystal structure of CYP124 in complex with inhibitor carbethoxyhexyl imidazole
Descriptor: CHLORIDE ION, CYP124 in complex with inhibitor carbethoxyhexyl imidazole, GLYCEROL, ...
Authors:Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V.
Deposit date:2019-10-03
Release date:2020-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis.
J.Mol.Biol., 433, 2021
6T0F
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BU of 6t0f by Molmil
Crystal structure of CYP124 in complex with cholest-4-en-3-one
Descriptor: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, GLYCEROL, ...
Authors:Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V.
Deposit date:2019-10-03
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis.
J.Mol.Biol., 433, 2021
8AA7
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BU of 8aa7 by Molmil
Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme coordinated fragment
Descriptor: 2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, Cytochrome P450 protein, PROTOPORPHYRIN IX CONTAINING FE
Authors:Snee, M, Katariya, M, Levy, C, Leys, D.
Deposit date:2022-06-30
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme coordinated fragment
To Be Published
8ABS
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BU of 8abs by Molmil
Crystal structure of CYP109A2 from Bacillus megaterium bound with testosterone and putative ligand 4,6-dimethyloctanoic acid
Descriptor: (4~{S},6~{S})-4,6-dimethyloctanoic acid, Cytochrome P450, HEME B/C, ...
Authors:Jozwik, I.K, Rozeboom, H.J, Thunnissen, A.-M.W.H.
Deposit date:2022-07-04
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Regio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling.
Febs J., 290, 2023
8ABR
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BU of 8abr by Molmil
Crystal structure of CYP109A2 from Bacillus megaterium bound with putative ligands hexanoic acid and octanoic acid
Descriptor: Cytochrome P450, HEME B/C, HEXANOIC ACID, ...
Authors:Jozwik, I.K, Rozeboom, H.J, Thunnissen, A.-M.W.H.
Deposit date:2022-07-04
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Regio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling.
Febs J., 290, 2023
7TEF
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BU of 7tef by Molmil
Cytochrome P450 14 alpha-sterol demethylase CYP51 from Mycobacterium marinum
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 51B1 Cyp51B1, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Mohamed, H.A, Bruning, J.B, Bell, S.G.
Deposit date:2022-01-04
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A comparison of the bacterial CYP51 cytochrome P450 enzymes from Mycobacterium marinum and Mycobacterium tuberculosis.
J.Steroid Biochem.Mol.Biol., 221, 2022
8AE8
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BU of 8ae8 by Molmil
Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment
Descriptor: 1~{H}-indol-5-ylmethanamine, Cytochrome P450 protein, PROTOPORPHYRIN IX CONTAINING FE
Authors:Snee, M, Katariya, M.
Deposit date:2022-07-12
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment
To Be Published
8ADR
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BU of 8adr by Molmil
Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a fragment
Descriptor: Cytochrome P450 protein, PROTOPORPHYRIN IX CONTAINING FE, pyridin-3-ylboronic acid
Authors:Snee, M, Katariya, M, Levy, C.
Deposit date:2022-07-11
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a fragment
To Be Published
8JNC
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BU of 8jnc by Molmil
Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-maltophilin
Descriptor: (1Z,3E,5S,8R,9S,10S,11R,13R,15R,16S,18Z,24S,25S)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-7,20,27,28-tetraone, Cytochrome P450, FORMIC ACID, ...
Authors:Zhang, Y.L, Zhang, L.P, Zhang, C.S.
Deposit date:2023-06-06
Release date:2023-11-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023

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PDB entries from 2024-06-26

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