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5IBF
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BU of 5ibf by Molmil
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
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
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
4KKY
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BU of 4kky by Molmil
Crystal structure of N-(1-Pyrene)acetamide labeled P450cam in substrate bound form.
Descriptor: CAMPHOR, Camphor 5-monooxygenase, N-(pyren-1-yl)acetamide, ...
Authors:Zhang, M, Goodin, D.B.
Deposit date:2013-05-06
Release date:2014-05-21
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:To be determined.
To be Published
4BMM
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BU of 4bmm by Molmil
Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-2',3, 5'-trifluoro-(1,1'-biphenyl)-4-carboxamide
Descriptor: 4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
Authors:Choi, J.Y, Calvet, C.M, Gunatilleke, S.S, Roush, W.R, McKerrow, J.H, Podust, L.M.
Deposit date:2013-05-09
Release date:2014-06-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency.
J.Med.Chem., 57, 2014
4C0C
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BU of 4c0c by Molmil
Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(2,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide.
Descriptor: 4-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Calvet, C.M, Vieira, D.F, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M.
Deposit date:2013-08-01
Release date:2014-08-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency.
J.Med.Chem., 57, 2014
8GZU
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BU of 8gzu by Molmil
Cryo-EM structure of Tetrahymena thermophila respiratory Megacomplex MC (IV2+I+III2+II)2
Descriptor: 2 iron, 2 sulfur cluster-binding protein, 2-oxoglutarate/malate carrier protein, ...
Authors:Wu, M.C, Hu, Y.Q, Han, F.Z, Zhou, L.
Deposit date:2022-09-27
Release date:2023-06-14
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.18 Å)
Cite:Structures of Tetrahymena thermophila respiratory megacomplexes on the tubular mitochondrial cristae.
Nat Commun, 14, 2023
8GYM
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BU of 8gym by Molmil
Cryo-EM structure of Tetrahymena thermophila respiratory mega-complex MC IV2+(I+III2+II)2
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ...
Authors:Wu, M.C, Hu, Y.Q, Han, F.Z, Zhou, L.
Deposit date:2022-09-23
Release date:2023-06-14
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Structures of Tetrahymena thermophila respiratory megacomplexes on the tubular mitochondrial cristae.
Nat Commun, 14, 2023
1R7S
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BU of 1r7s by Molmil
PUTIDAREDOXIN (Fe2S2 ferredoxin), C73G mutant
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin
Authors:Smith, N, Mayhew, M, Kelly, H, Robinson, H, Heroux, A, Holden, M.J, Gallagher, D.T.
Deposit date:2003-10-22
Release date:2004-04-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structure of C73G putidaredoxin from Pseudomonas putida.
Acta Crystallogr.,Sect.D, 60, 2004
8HKD
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BU of 8hkd by Molmil
Crystal structure of P450BSbeta-L78G/Q85F/F173S/G290I variant in complex with palmitoleic acid
Descriptor: DI(HYDROXYETHYL)ETHER, Fatty-acid peroxygenase, PALMITOLEIC ACID, ...
Authors:He, C, Wang, X, Li, F.
Deposit date:2022-11-25
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Biocatalytic enantioselective gamma-C-H lactonization of aliphatic carboxylic acids
Nat Synth, 2023
3LB8
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BU of 3lb8 by Molmil
Crystal structure of the covalent putidaredoxin reductase-putidaredoxin complex
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, Putidaredoxin, ...
Authors:Sevrioukova, I.F.
Deposit date:2010-01-07
Release date:2010-02-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the putidaredoxin reductase x putidaredoxin electron transfer complex.
J.Biol.Chem., 285, 2010
2IAG
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BU of 2iag by Molmil
Crystal structure of human prostacyclin synthase
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Prostacyclin synthase, SODIUM ION
Authors:Chiang, C.-W, Yeh, H.-C, Wang, L.-H, Chan, N.-L.
Deposit date:2006-09-08
Release date:2006-10-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of the Human Prostacyclin Synthase
J.Mol.Biol., 364, 2006
2WLB
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BU of 2wlb by Molmil
Adrenodoxin-like ferredoxin Etp1fd(516-618) of Schizosaccharomyces pombe mitochondria
Descriptor: ELECTRON TRANSFER PROTEIN 1, MITOCHONDRIAL, FE2/S2 (INORGANIC) CLUSTER
Authors:Mueller, J.J, Hannemann, F, Schiffler, B, Bernhardt, R, Heinemann, U.
Deposit date:2009-06-23
Release date:2010-08-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Thermodynamic Characterization of the Adrenodoxin-Like Domain of the Electron-Transfer Protein Etp1 from Schizosaccharomyces Pombe.
J.Inorg.Biochem., 105, 2011
1AYF
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BU of 1ayf by Molmil
BOVINE ADRENODOXIN (OXIDIZED)
Descriptor: ADRENODOXIN, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL
Authors:Mueller, A, Mueller, J.J, Heinemann, U.
Deposit date:1997-11-03
Release date:1998-12-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:New aspects of electron transfer revealed by the crystal structure of a truncated bovine adrenodoxin, Adx(4-108).
Structure, 6, 1998
1XLQ
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BU of 1xlq by Molmil
Crystal structure of reduced C73S putidaredoxin from Pseudomonas putida
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin
Authors:Sevrioukova, I.F.
Deposit date:2004-09-30
Release date:2005-10-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Redox-dependent Structural Reorganization in Putidaredoxin, a Vertebrate-type [2Fe-2S] Ferredoxin from Pseudomonas putida.
J.Mol.Biol., 347, 2005
1XLN
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BU of 1xln by Molmil
Crystal structure of oxidized C73S/C85S putidaredoxin, a [2Fe-2S] ferredoxin from Pseudomonas putida
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin
Authors:Sevrioukova, I.F.
Deposit date:2004-09-30
Release date:2005-10-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Redox-dependent Structural Reorganization in Putidaredoxin, a Vertebrate-type [2Fe-2S] Ferredoxin from Pseudomonas putida.
J.Mol.Biol., 347, 2005
1XLP
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BU of 1xlp by Molmil
Structure of oxidized C73S putidaredoxin from Pseudomonas putida
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin
Authors:Sevrioukova, I.F.
Deposit date:2004-09-30
Release date:2005-10-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Redox-dependent structural reorganization in putidaredoxin, a vertebrate-type [2Fe-2S] ferredoxin from Pseudomonas putida.
J.Mol.Biol., 347, 2005
1XLO
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BU of 1xlo by Molmil
Structure of reduced C73S/C85S putidaredoxin, a [2Fe-2S] ferredoxin from Pseudomonas putida
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin
Authors:Sevrioukova, I.F.
Deposit date:2004-09-30
Release date:2005-10-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Redox-dependent Structural Reorganization in Putidaredoxin, a Vertebrate-type [2Fe-2S] Ferredoxin from Pseudomonas putida.
J.Mol.Biol., 347, 2005
3FG2
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BU of 3fg2 by Molmil
Crystal Structure of Ferredoxin Reductase for the CYP199A2 System from Rhodopseudomonas palustris
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Putative rubredoxin reductase
Authors:Xu, F.
Deposit date:2008-12-04
Release date:2009-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a ferredoxin reductase for the CYP199A2 system from Rhodopseudomonas palustris
Proteins, 77, 2009
4CK9
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BU of 4ck9 by Molmil
STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH (S)-1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethyl 4- isopropylphenylcarbamate (LFT)
Descriptor: (1S)-1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethyl [4-(propan-2-yl)phenyl]carbamate, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
Authors:Friggeri, L, Wawrzak, Z, Tortorella, S, Lepesheva, G.I.
Deposit date:2013-12-31
Release date:2014-07-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma Cruzi Sterol 14Alpha-Demethylase: Two Regions of the Enzyme Molecule Potentiate its Inhibition.
J.Med.Chem., 57, 2014
4UVR
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BU of 4uvr by Molmil
Binding mode, selectivity and potency of N-indolyl-oxopyridinyl-4- amino-propanyl-based inhibitors targeting Trypanosoma cruzi CYP51
Descriptor: Nalpha-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-fluorobenzoyl}-N-pyridin-4-yl-D-tryptophanamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-DEMETHYLASE, ...
Authors:Vieira, D.F, Choi, J.Y, Calvet, C.M, Gut, J, Kellar, D, Siqueira-Neto, J.L, Johnston, J.B, McKerrow, J.H, Roush, W.R, Podust, L.M.
Deposit date:2014-08-08
Release date:2014-11-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Binding Mode and Potency of N-Indolyl-Oxopyridinyl-4-Amino-Propanyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51
J.Med.Chem., 57, 2014
8SBI
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BU of 8sbi by Molmil
Crystal structure of human sterol 14 alpha-demethylase (CYP51) in the ligand-free state
Descriptor: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
Deposit date:2023-04-03
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Structural dynamics of sterol 14 alpha demethylases upon catalysis
To Be Published
4COH
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BU of 4coh by Molmil
Crystal structure of Trypanosoma cruzi CYP51 bound to the sulfonamide derivative of the 4-aminopyridyl-based inhibitor
Descriptor: 2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
Authors:Vieira, D.F, Choi, J.Y, Roush, W.R, Podust, L.M.
Deposit date:2014-01-28
Release date:2014-04-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Expanding the Binding Envelope of Cyp51 Inhibitors Targeting Trypanosoma Cruzi with 4-Aminopyridyl-Based Sulfonamide Derivatives
Chembiochem, 15, 2014
7P5T
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BU of 7p5t by Molmil
Structure of CYP142 from Mycobacterium tuberculosis in complex with inhibitor MEK216
Descriptor: BROMIDE ION, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Snee, M, Kavanagh, M, Tunnicliffe, R, McLean, K, Levy, C, Munro, A.
Deposit date:2021-07-14
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of CYP142 from Mycobacterium tuberculosis in complex with inhibitor MEK216
To Be Published
6E8Q
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BU of 6e8q by Molmil
S. CEREVISIAE CYP51 COMPLEXED WITH Posaconazole
Descriptor: DODECYL-BETA-D-MALTOSIDE, Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, ...
Authors:Tyndall, J.D, Keniya, M.V, Sabherwal, M, Monk, B.C.
Deposit date:2018-07-30
Release date:2018-09-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Azole Resistance Reduces Susceptibility to the Tetrazole Antifungal VT-1161.
Antimicrob. Agents Chemother., 63, 2019

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