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6BWW
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BU of 6bww by Molmil
Crystal structure of an acetate and Cymal-5 bound cytochrome P450 2B4 F429H mutant
Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, ACETATE ION, Cytochrome P450 2B4, ...
Authors:Yang, Y.T, Waskell, L.
Deposit date:2017-12-15
Release date:2018-12-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of cytochrome P450 2B4 with an acetate ligand and an active site hydrogen bond network similar to oxyferrous P450cam.
J.Inorg.Biochem., 185, 2018
4MVY
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BU of 4mvy by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea (Chem 1387)
Descriptor: 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.314 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
3G5H
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BU of 3g5h by Molmil
Crystallographic analysis of cytochrome P450 cyp121
Descriptor: (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Belin, P, Le Du, M.H, Gondry, M.
Deposit date:2009-02-05
Release date:2009-04-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Identification and structural basis of the reaction catalyzed by CYP121, an essential cytochrome P450 in Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 106, 2009
7RL2
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BU of 7rl2 by Molmil
Crystal Structure of the Human Cytochrome P450 2C9*8 (CYP2C9*8) Genetic Variant in Complex with the Drug Losartan
Descriptor: Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Shah, M.B.
Deposit date:2021-07-23
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Insights into the Genetic Variations of Human Cytochrome P450 2C9: Structural Analysis, Characterization and Comparison.
Int J Mol Sci, 22, 2021
4MW1
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BU of 4mw1 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1444)
Descriptor: 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.494 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
3G93
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BU of 3g93 by Molmil
Single ligand occupancy crystal structure of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole
Descriptor: 1-(biphenyl-4-ylmethyl)-1H-imidazole, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gay, S.C, Sun, L, Maekawa, K, Halpert, J.R, Stout, C.D.
Deposit date:2009-02-12
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structures of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole: ligand-induced structural response through alpha-helical repositioning.
Biochemistry, 48, 2009
4EJJ
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BU of 4ejj by Molmil
Human Cytochrome P450 2A6 in complex with nicotine
Descriptor: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE
Authors:DeVore, N.M, Scott, E.E.
Deposit date:2012-04-06
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Nicotine and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone binding and access channel in human cytochrome P450 2A6 and 2A13 enzymes.
J.Biol.Chem., 287, 2012
4LGB
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BU of 4lgb by Molmil
ABA-mimicking ligand N-(1-METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)-1-(4-METHYLPHENYL)METHANESULFONAMIDE in complex with ABA receptor PYL2 and PP2C HAB1
Descriptor: Abscisic acid receptor PYL2, MAGNESIUM ION, N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide, ...
Authors:Zhou, X.E, Gao, M, Liu, X, Zhang, Y, Xue, X, Melcher, K, Gao, P, Wang, F, Zeng, L, Zhao, Y, Zhao, Y, Deng, P, Zhong, D, Zhu, J.-K, Xu, Y, Xu, H.E.
Deposit date:2013-06-27
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants.
Cell Res., 23, 2013
5U1T
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BU of 5u1t by Molmil
Crystal structure of the Saccharomyces cerevisiae separase-securin complex at 2.6 angstrom resolution
Descriptor: Securin, Separin
Authors:Luo, S, Tong, L.
Deposit date:2016-11-29
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular mechanism for the regulation of yeast separase by securin.
Nature, 542, 2017
4LKP
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BU of 4lkp by Molmil
Crystal Structure of Apo Human Epidermal Fatty Acid Binding Protein (FABP5)
Descriptor: AMMONIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Armstrong, E.H, Ortlund, E.A.
Deposit date:2013-07-08
Release date:2014-03-26
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural basis for ligand regulation of the fatty acid-binding protein 5, peroxisome proliferator-activated receptor beta / delta (FABP5-PPAR beta / delta ) signaling pathway.
J.Biol.Chem., 289, 2014
6HUM
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BU of 6hum by Molmil
Structure of the photosynthetic complex I from Thermosynechococcus elongatus
Descriptor: 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, IRON/SULFUR CLUSTER, ...
Authors:Schuller, J.M, Schuller, S.K, Kurisu, G, Engel, B.D, Nowaczyk, M.M.
Deposit date:2018-10-09
Release date:2019-01-09
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Structural adaptations of photosynthetic complex I enable ferredoxin-dependent electron transfer.
Science, 363, 2019
6HFP
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BU of 6hfp by Molmil
Human dihydroorotase mutant F1563T co-crystallized with carbamoyl aspartate at pH 7.0
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
Authors:Ramon-Maiques, S, Grande Garcia, A.
Deposit date:2018-08-21
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.1982286 Å)
Cite:Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD.
J. Biol. Chem., 293, 2018
6HG3
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BU of 6hg3 by Molmil
Hybrid dihydroorotase domain of human CAD with E. coli flexible loop, bound to dihydroorotate
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
Authors:Ramon-Maiques, S, Del Cano-Ochoa, F.
Deposit date:2018-08-22
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD.
J. Biol. Chem., 293, 2018
4QUV
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BU of 4quv by Molmil
Structure of an integral membrane delta(14)-sterol reductase
Descriptor: Delta(14)-sterol reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Li, X, Blobel, G.
Deposit date:2014-07-12
Release date:2014-10-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.743 Å)
Cite:Structure of an integral membrane sterol reductase from Methylomicrobium alcaliphilum.
Nature, 517, 2015
5UZM
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BU of 5uzm by Molmil
Crystal structure of Glorund qRRM2 domain
Descriptor: AT27789p
Authors:Teramoto, T, Hall, T.M.T.
Deposit date:2017-02-27
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.552 Å)
Cite:The Drosophila hnRNP F/H Homolog Glorund Uses Two Distinct RNA-Binding Modes to Diversify Target Recognition.
Cell Rep, 19, 2017
4LGA
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BU of 4lga by Molmil
ABA-mimicking ligand N-(2-OXO-1-PROPYL-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)-1-PHENYLMETHANESULFONAMIDE in complex with ABA receptor PYL2 and PP2C HAB1
Descriptor: Abscisic acid receptor PYL2, MAGNESIUM ION, N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-phenylmethanesulfonamide, ...
Authors:Zhou, X.E, Gao, M, Liu, X, Zhang, Y, Xue, X, Melcher, K, Gao, P, Wang, F, Zeng, L, Zhao, Y, Zhao, Y, Deng, P, Zhong, D, Zhu, J.-K, Xu, Y, Xu, H.E.
Deposit date:2013-06-27
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants.
Cell Res., 23, 2013
6I1P
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BU of 6i1p by Molmil
Respiratory complex I from Thermus thermophilus with bound NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Gutierrez-Fernandez, J, Minhas, G.S, Sazanov, L.A.
Deposit date:2018-10-29
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.207 Å)
Cite:Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020
5UZG
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BU of 5uzg by Molmil
Crystal structure of Glorund qRRM1 domain
Descriptor: AT27789p, GLYCEROL, SULFATE ION
Authors:Teramoto, T, Hall, T.M.T.
Deposit date:2017-02-26
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.541 Å)
Cite:The Drosophila hnRNP F/H Homolog Glorund Uses Two Distinct RNA-Binding Modes to Diversify Target Recognition.
Cell Rep, 19, 2017
3CY1
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BU of 3cy1 by Molmil
Crystal structure of the cytochrome P450 CYP121 S279A mutant from M. tuberculosis
Descriptor: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Leys, D.
Deposit date:2008-04-25
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Characterisation of active site of cytochrome P450 CYP121
TO BE PUBLISHED
4P81
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BU of 4p81 by Molmil
Structure of ancestral PyrR protein (AncORANGEPyrR)
Descriptor: Ancestral PyrR protein (Orange), GLYCEROL, SULFATE ION
Authors:Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
Deposit date:2014-03-29
Release date:2014-12-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
3CZH
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BU of 3czh by Molmil
Crystal structure of CYP2R1 in complex with vitamin D2
Descriptor: (3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Cytochrome P450 2R1, ...
Authors:Strushkevich, N.V, Tempel, W, Gilep, A.A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2008-04-29
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of CYP2R1 in complex with vitamin D2.
To be Published
7RQD
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BU of 7rqd by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with protein Y, A-site deacylated tRNA analog CACCA, P-site MTI-tripeptidyl-tRNA analog ACCA-ITM, and chloramphenicol at 2.50A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
Authors:Syroegin, E.A, Flemmich, L, Klepacki, D, Vazquez-Laslop, N, Micura, R, Polikanov, Y.S.
Deposit date:2021-08-06
Release date:2022-01-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the context-specific action of the classic peptidyl transferase inhibitor chloramphenicol.
Nat.Struct.Mol.Biol., 29, 2022
7RQE
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BU of 7rqe by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with protein Y, A-site deacylated tRNA analog CACCA, P-site MAI-tripeptidyl-tRNA analog ACCA-IAM, and chloramphenicol at 2.40A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
Authors:Syroegin, E.A, Flemmich, L, Klepacki, D, Vazquez-Laslop, N, Micura, R, Polikanov, Y.S.
Deposit date:2021-08-06
Release date:2022-01-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the context-specific action of the classic peptidyl transferase inhibitor chloramphenicol.
Nat.Struct.Mol.Biol., 29, 2022
7RQA
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BU of 7rqa by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with protein Y, A-site aminoacyl-tRNA analog ACC-PMN, and P-site MTI-tripeptidyl-tRNA analog ACCA-ITM at 2.40A resolution
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, ...
Authors:Syroegin, E.A, Flemmich, L, Klepacki, D, Vazquez-Laslop, N, Micura, R, Polikanov, Y.S.
Deposit date:2021-08-06
Release date:2022-01-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the context-specific action of the classic peptidyl transferase inhibitor chloramphenicol.
Nat.Struct.Mol.Biol., 29, 2022
4M4R
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BU of 4m4r by Molmil
Epha4 ectodomain complex with ephrin a5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ephrin type-A receptor 4, ...
Authors:Xu, K, Tsvetkova-Robev, D, Xu, Y, Goldgur, Y, Chan, Y.-P, Himanen, J.P, Nikolov, D.B.
Deposit date:2013-08-07
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Insights into Eph receptor tyrosine kinase activation from crystal structures of the EphA4 ectodomain and its complex with ephrin-A5.
Proc.Natl.Acad.Sci.USA, 110, 2013

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