7UFB
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![BU of 7ufb by Molmil](/molmil-images/mine/7ufb) | CYP3A4 bound to an inhibitor | Descriptor: | (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[2-(pyridin-3-yl)acetamido]propyl}sulfanyl)-N-[(pyridin-3-yl)methyl]propanamide, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I. | Deposit date: | 2022-03-22 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci, 23, 2022
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8FDA
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![BU of 8fda by Molmil](/molmil-images/mine/8fda) | Human Cytochrome P450 17A1 in complex with steroidal isonitrile inhibitor | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase, [(1~{R})-1-[(3~{S},5~{S},8~{R},9~{S},10~{S},13~{S},17~{R})-3-methanoyloxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-methylidyne-azanium | Authors: | Richard, A.M, Scott, E.E. | Deposit date: | 2022-12-02 | Release date: | 2023-08-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Selective steroidogenic cytochrome P450 haem iron ligation by steroid-derived isonitriles. Commun Chem, 6, 2023
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8HKD
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![BU of 8hkd by Molmil](/molmil-images/mine/8hkd) | |
8HGB
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![BU of 8hgb by Molmil](/molmil-images/mine/8hgb) | |
8HGE
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![BU of 8hge by Molmil](/molmil-images/mine/8hge) | |
8HGD
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![BU of 8hgd by Molmil](/molmil-images/mine/8hgd) | |
8HOO
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![BU of 8hoo by Molmil](/molmil-images/mine/8hoo) | |
8HOR
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![BU of 8hor by Molmil](/molmil-images/mine/8hor) | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Phe(4CH3)-Tyr | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, Im-C6-Phe(4CH3)-Tyr, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | Deposit date: | 2022-12-10 | Release date: | 2023-12-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase. Angew.Chem.Int.Ed.Engl., 62, 2023
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8HOS
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![BU of 8hos by Molmil](/molmil-images/mine/8hos) | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Phe(4NO2)-Tyr | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, Im-C6-Phe(4NO2)-Tyr, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | Deposit date: | 2022-12-10 | Release date: | 2023-12-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase. Angew.Chem.Int.Ed.Engl., 62, 2023
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8HOQ
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![BU of 8hoq by Molmil](/molmil-images/mine/8hoq) | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Phe(4CF3)-Tyr | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, Im-C6-Phe(4CF3)-Tyr, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | Deposit date: | 2022-12-10 | Release date: | 2023-12-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase. Angew.Chem.Int.Ed.Engl., 62, 2023
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8HOU
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![BU of 8hou by Molmil](/molmil-images/mine/8hou) | Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Im-N-C4-Phe-Phe | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, Im-N-C4-Phe-Phe, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | Deposit date: | 2022-12-10 | Release date: | 2023-12-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase. Angew.Chem.Int.Ed.Engl., 62, 2023
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8HOT
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8HOP
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![BU of 8hop by Molmil](/molmil-images/mine/8hop) | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Nap-Tyr | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, Im-C6-Nap-Tyr, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | Deposit date: | 2022-12-10 | Release date: | 2023-12-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase. Angew.Chem.Int.Ed.Engl., 62, 2023
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8HON
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![BU of 8hon by Molmil](/molmil-images/mine/8hon) | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Tyr-Tyr | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, Im-C6-Tyr-Tyr, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | Deposit date: | 2022-12-10 | Release date: | 2023-12-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase. Angew.Chem.Int.Ed.Engl., 62, 2023
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7UDF
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7UOR
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![BU of 7uor by Molmil](/molmil-images/mine/7uor) | Crystal structure of cytochrome P450 enzyme CYP119 in complex with methyliridium(III) mesoporphyrin. | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome, NICKEL (II) ION, ... | Authors: | Pereira, J.H, Bloomer, B.J, Hartwig, J.F, Adams, P.D. | Deposit date: | 2022-04-13 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.16 Å) | Cite: | Mechanistic and structural characterization of an iridium-containing cytochrome reveals kinetically relevant cofactor dynamics Nat Catal, 6, 2023
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8FID
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![BU of 8fid by Molmil](/molmil-images/mine/8fid) | Crystal Structure of Erwinia tracheiphila CYP114 in complex with ent-kaurenoic acid (Crystal Form 2) | Descriptor: | (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Stewart Jr, C.E, Nagel, R. | Deposit date: | 2022-12-16 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis. Proc.Natl.Acad.Sci.USA, 120, 2023
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8FIB
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![BU of 8fib by Molmil](/molmil-images/mine/8fib) | Crystal Structure of Erwinia tracheiphila CYP114 | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Stewart Jr, C.E, Nagel, R. | Deposit date: | 2022-12-16 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis. Proc.Natl.Acad.Sci.USA, 120, 2023
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7TLO
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![BU of 7tlo by Molmil](/molmil-images/mine/7tlo) | |
7UWP
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![BU of 7uwp by Molmil](/molmil-images/mine/7uwp) | Detergent-bound CYP51 from Acanthamoeba castellanii | Descriptor: | DODECYL-BETA-D-MALTOSIDE, PROTOPORPHYRIN IX CONTAINING FE, sterol 14a-demethylase | Authors: | Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | Deposit date: | 2022-05-03 | Release date: | 2023-04-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Identification of Potent and Selective Inhibitors of Acanthamoeba: Structural Insights into Sterol 14-Demethylase as a Key Drug Target J.Med.Chem., 2024
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2VE3
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![BU of 2ve3 by Molmil](/molmil-images/mine/2ve3) | Retinoic acid bound cyanobacterial CYP120A1 | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 120, RETINOIC ACID | Authors: | Kuhnel, K, Ke, N, Sligar, S.G, Schuler, M.A, Schlichting, I. | Deposit date: | 2007-10-15 | Release date: | 2008-04-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures of Substrate-Free and Retinoic Acid-Bound Cyanobacterial Cytochrome P450 Cyp120A1. Biochemistry, 47, 2008
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2VE4
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![BU of 2ve4 by Molmil](/molmil-images/mine/2ve4) | Substrate free cyanobacterial CYP120A1 | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 120 | Authors: | Kuhnel, K, Ke, N, Sligar, S.G, Schuler, M.A, Schlichting, I. | Deposit date: | 2007-10-16 | Release date: | 2008-04-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structures of Substrate-Free and Retinoic Acid-Bound Cyanobacterial Cytochrome P450 Cyp120A1. Biochemistry, 47, 2008
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2UUQ
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2WI9
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![BU of 2wi9 by Molmil](/molmil-images/mine/2wi9) | Selective oxidation of carbolide C-H bonds by engineered macrolide P450 monooxygenase | Descriptor: | CYCLODODECYL 3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSIDE, CYTOCHROME P450 HYDROXYLASE PIKC, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Li, S, Chaulagain, M.R, Knauff, A.R, Podust, L.M, Montgomery, J, Sherman, D.H. | Deposit date: | 2009-05-08 | Release date: | 2009-10-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Selective Oxidation of Carbolide C-H Bonds by an Engineered Macrolide P450 Mono-Oxygenase. Proc.Natl.Acad.Sci.USA, 106, 2009
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2UWH
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![BU of 2uwh by Molmil](/molmil-images/mine/2uwh) | Cytochrome P450 BM3 mutant in complex with palmitic acid | Descriptor: | BIFUNCTIONAL P-450: NADPH-P450 REDUCTASE, PALMITIC ACID, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Huang, W.-C, Joyce, M.G, Westlake, A.C.G, Roberts, G.C.K, Moody, P.C.E. | Deposit date: | 2007-03-21 | Release date: | 2007-08-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Filling a Hole in Cytochrome P450 Bm3 Improves Substrate Binding and Catalytic Efficiency. J.Mol.Biol., 373, 2007
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