4MW5
 
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea (Chem 1415) | | Descriptor: | 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea, 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 (2.347 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
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3T3Q
 | | Human Cytochrome P450 2A6 I208S/I300F/G301A/S369G in complex with Pilocarpine | | Descriptor: | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | DeVore, N.M, Scott, E.E. | | Deposit date: | 2011-07-25 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine.
Febs J., 279, 2012
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3SQ7
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5WXZ
 | | Crystal structure of Microcystis aeruginosa PCC 7806 aspartate racemase in complex with D-aspartate | | Descriptor: | D-ASPARTIC ACID, McyF | | Authors: | Cao, D.D, Zhou, K, Jiang, Y.L, Zhou, C.Z. | | Deposit date: | 2017-01-09 | | Release date: | 2018-01-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural insights into the catalysis and substrate specificity of cyanobacterial aspartate racemase McyF.
Biochem.Biophys.Res.Commun., 514, 2019
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4OUR
 | | Crystal structure of Arabidopsis thaliana phytochrome B photosensory module | | Descriptor: | 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, GLYCEROL, Phytochrome B, ... | | Authors: | Sethe Burgie, E, Bussell, A.N, Walker, J.M, Dubiel, K, Vierstra, R.D. | | Deposit date: | 2014-02-18 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Crystal structure of the photosensing module from a red/far-red light-absorbing plant phytochrome.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4OFY
 | | Crystal Structure of the Complex of SYG-1 D1-D2 and SYG-2 D1-D4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ETHYL MERCURY ION, ... | | Authors: | Ozkan, E, Garcia, K.C. | | Deposit date: | 2014-01-15 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Extracellular Architecture of the SYG-1/SYG-2 Adhesion Complex Instructs Synaptogenesis.
Cell(Cambridge,Mass.), 156, 2014
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6JXS
 | | Crystal Structure of Indigo reductase (Y151F) from Bacillus smithii type strain DSM 4216 | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase | | Authors: | Yoneda, K, Sakuraba, H, Ohshima, T. | | Deposit date: | 2019-04-24 | | Release date: | 2020-04-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and biochemical characterization of an extremely thermostable FMN-dependent NADH-indigo reductase from Bacillus smithii.
Int.J.Biol.Macromol., 164, 2020
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3U7I
 | | The crystal structure of FMN-dependent NADH-azoreductase 1 (GBAA0966) from Bacillus anthracis str. Ames Ancestor | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FMN-dependent NADH-azoreductase 1, ... | | Authors: | Zhang, R, Gu, M, Tan, K, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-10-13 | | Release date: | 2011-11-09 | | Last modified: | 2015-12-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The crystal structure of FMN-dependent NADH-azoreductase 1 (GBAA0966) from Bacillus anthracis str. Ames Ancestor
To be Published
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4OF0
 | | Crystal Structure of SYG-1 D1-D2, refolded | | Descriptor: | Protein SYG-1, isoform b | | Authors: | Ozkan, E, Garcia, K.C. | | Deposit date: | 2014-01-14 | | Release date: | 2014-02-19 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Extracellular Architecture of the SYG-1/SYG-2 Adhesion Complex Instructs Synaptogenesis.
Cell(Cambridge,Mass.), 156, 2014
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4OFK
 | | Crystal Structure of SYG-2 D4 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Ozkan, E, Borek, D, Otwinowski, Z, Garcia, K.C. | | Deposit date: | 2014-01-15 | | Release date: | 2014-02-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | Extracellular Architecture of the SYG-1/SYG-2 Adhesion Complex Instructs Synaptogenesis.
Cell(Cambridge,Mass.), 156, 2014
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6KYY
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6L7O
 | | cryo-EM structure of cyanobacteria Fd-NDH-1L complex | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, BETA-CAROTENE, ... | | Authors: | Zhang, C, Shuai, J, Wu, J, Lei, M. | | Deposit date: | 2019-11-02 | | Release date: | 2020-02-19 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insights into NDH-1 mediated cyclic electron transfer.
Nat Commun, 11, 2020
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3TBG
 | | Human cytochrome P450 2D6 with two thioridazines bound in active site | | Descriptor: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, Cytochrome P450 2D6, GLYCEROL, ... | | Authors: | Wang, A, Stout, C.D, Johnson, E.F. | | Deposit date: | 2011-08-05 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
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4OFI
 | | Crystal Structure of Duf (Kirre) D1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Kin of irre, isoform A, ... | | Authors: | Ozkan, E, Garcia, K.C. | | Deposit date: | 2014-01-14 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Extracellular Architecture of the SYG-1/SYG-2 Adhesion Complex Instructs Synaptogenesis.
Cell(Cambridge,Mass.), 156, 2014
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5TBI
 | | Crystal structure of mouse CARM1 in complex with inhibitor LH1427 | | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 4-[2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]ethylamino]-1-(methoxymethyl)pyrimidin-2-one, ... | | Authors: | Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2016-09-12 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.294 Å) | | Cite: | Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors.
Philos.Trans.R.Soc.Lond.B Biol.Sci., 373, 2018
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4OXP
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4MVY
 | | 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
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4MW1
 | | 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
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6ABI
 | | The apo-structure of D-lactate dehydrogenase from Fusobacterium nucleatum | | Descriptor: | D-lactate dehydrogenase, GLYCEROL, SULFATE ION | | Authors: | Furukawa, N, Miyanaga, A, Nakajima, M, Taguchi, H. | | Deposit date: | 2018-07-21 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis of Sequential Allosteric Transitions in Tetrameric d-Lactate Dehydrogenases from Three Gram-Negative Bacteria
Biochemistry, 57, 2018
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3UAS
 | | Cytochrome P450 2B4 covalently bound to the mechanism-based inactivator 9-ethynylphenanthrene | | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Gay, S.C, Zhang, H, Shah, M.B, Stout, C.D, Halpert, J.R, Hollenberg, P.F. | | Deposit date: | 2011-10-21 | | Release date: | 2013-01-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.939 Å) | | Cite: | Potent Mechanism-Based Inactivation of Cytochrome P450 2B4 by 9-Ethynylphenanthrene: Implications for Allosteric Modulation of Cytochrome P450 Catalysis.
Biochemistry, 52, 2013
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6I1P
 | | 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
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6A7A
 | | AKR1C1 complexed with new inhibitor with novel scaffold | | Descriptor: | (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zheng, X, Zhao, Y, Zhang, H, Chen, Y. | | Deposit date: | 2018-07-02 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
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4OF6
 | | Crystal Structure of SYG-1 D1, Crystal form 1 | | Descriptor: | 1,2-ETHANEDIOL, Protein SYG-1, isoform b, ... | | Authors: | Ozkan, E, Garcia, K.C. | | Deposit date: | 2014-01-14 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.696 Å) | | Cite: | Extracellular Architecture of the SYG-1/SYG-2 Adhesion Complex Instructs Synaptogenesis.
Cell(Cambridge,Mass.), 156, 2014
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1PR9
 | | Human L-Xylulose Reductase Holoenzyme | | Descriptor: | DIHYDROGENPHOSPHATE ION, L-XYLULOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | El-Kabbani, O, Ishikura, S, Darmanin, C, Carbone, V, Chung, R.P.-T, Usami, N, Hara, A. | | Deposit date: | 2003-06-20 | | Release date: | 2004-02-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Crystal structure of human L-xylulose reductase holoenzyme: probing the role of Asn107 with site-directed mutagenesis
Proteins, 55, 2004
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5VOZ
 | | Yeast V-ATPase in complex with Legionella pneumophila effector SidK (rotational state 3) | | Descriptor: | Uncharacterized protein, V-type proton ATPase catalytic subunit A,V-type proton ATPase catalytic subunit A, V-type proton ATPase subunit B, ... | | Authors: | Zhao, J. | | Deposit date: | 2017-05-03 | | Release date: | 2017-06-28 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (7.6 Å) | | Cite: | Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
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