3SQR
 
 | | Crystal structure of laccase from Botrytis aclada at 1.67 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, SULFATE ION, ... | | Authors: | Osipov, E.M, Polyakov, K.M, Tikhonova, T.V, Dorovatovsky, P.V, Ludwig, R, Kittl, R, Shleev, S.V, Popov, V.O. | | Deposit date: | 2011-07-06 | | Release date: | 2012-07-11 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Effect of the L499M mutation of the ascomycetous Botrytis aclada laccase on redox potential and catalytic properties.
Acta Crystallogr.,Sect.D, 70, 2014
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1SII
 | | AGAO in covalent complex with the inhibitor NOBA ("4-(2-naphthyloxy)-2-butyn-1-amine") | | Descriptor: | COPPER (II) ION, GLYCEROL, Phenylethylamine oxidase, ... | | Authors: | Guss, J.M, Langley, D.B, Duff, A.P. | | Deposit date: | 2004-02-29 | | Release date: | 2004-09-07 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Differential Inhibition of Six Copper Amine Oxidases by a Family of 4-(Aryloxy)-2-butynamines: Evidence for a New Mode of Inactivation.
Biochemistry, 43, 2004
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1SIH
 | | AGAO in covalent complex with the inhibitor MOBA ("4-(4-methylphenoxy)-2-butyn-1-amine") | | Descriptor: | COPPER (II) ION, GLYCEROL, Phenylethylamine oxidase, ... | | Authors: | Guss, J.M, Langley, D.B, Duff, A.P. | | Deposit date: | 2004-02-29 | | Release date: | 2004-09-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Differential Inhibition of Six Copper Amine Oxidases by a Family of 4-(Aryloxy)-2-butynamines: Evidence for a New Mode of Inactivation.
Biochemistry, 43, 2004
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6CJG
 | | Human dihydroorotate dehydrogenase bound to napthyridine inhibitor 46 | | Descriptor: | 2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Petrunak, E.M, Stuckey, J.A. | | Deposit date: | 2018-02-26 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.851 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase.
J. Med. Chem., 61, 2018
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8A3H
 | | Cellobiose-derived imidazole complex of the endoglucanase cel5A from Bacillus agaradhaerens at 0.97 A resolution | | Descriptor: | (5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside, ACETATE ION, GLYCEROL, ... | | Authors: | Varrot, A, Schulein, M, Pipelier, M, Vasella, A, Davies, G.J. | | Deposit date: | 1999-01-20 | | Release date: | 2000-01-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Lateral Protonation of a Glycosidase Inhibitor. Structure of the Bacillus agaradhaerens Cel5A in Complex with a Cellobiose-Derived Imidazole at 0.97 A Resolution
J.Am.Chem.Soc., 121, 1999
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8HY5
 | | Structure of D-amino acid oxidase mutant R38H | | Descriptor: | 1,2-ETHANEDIOL, BENZOIC ACID, D-amino-acid oxidase, ... | | Authors: | Khan, S, Upadhyay, S, Dave, U, Kumar, A, Gomes, J. | | Deposit date: | 2023-01-05 | | Release date: | 2023-01-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and mechanistic insights into ALS patient derived mutations in D-amino acid oxidase.
Int.J.Biol.Macromol., 256, 2023
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8HFB
 | | Evolved variant of quercetin 2,4-dioxygenase from Bacillus subtilis | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, NICKEL (II) ION, ... | | Authors: | Eom, H, Song, W.J. | | Deposit date: | 2022-11-10 | | Release date: | 2023-03-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Underlying Role of Hydrophobic Environments in Tuning Metal Elements for Efficient Enzyme Catalysis.
J.Am.Chem.Soc., 145, 2023
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2MIQ
 | | Solution NMR Structure of PHD Type 1 Zinc Finger Domain 1 of Lysine-specific Demethylase Lid from Drosophila melanogaster, Northeast Structural Genomics Consortium (NESG) Target FR824J | | Descriptor: | Lysine-specific demethylase lid, ZINC ION | | Authors: | Xu, X, Eletsky, A, Shastry, R, Maglaqui, M, Janjua, H, Xiao, R, Everett, J.K, Sukumaran, D.K, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG), Chaperone-Enabled Studies of Epigenetic Regulation Enzymes (CEBS) | | Deposit date: | 2013-12-17 | | Release date: | 2014-01-29 | | Last modified: | 2024-11-06 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of PHD Type 1 Zinc Finger Domain 1 from Lysine-specific Demethylase Lid from Drosophila melanogaster, Northeast Structural Genomics Consortium (NESG) Target FR824J
To be Published
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4XDO
 | | Crystal structure of human KDM4C catalytic domain with OGA | | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, Lysine-specific demethylase 4C, ... | | Authors: | Swinger, K.K, Boriack-Sjodin, P.A. | | Deposit date: | 2014-12-19 | | Release date: | 2015-03-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | A High-Throughput Mass Spectrometry Assay Coupled with Redox Activity Testing Reduces Artifacts and False Positives in Lysine Demethylase Screening.
J Biomol Screen, 20, 2015
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6JMD
 | | Crystal structure of human DHODH in complex with inhibitor 1223 | | Descriptor: | 3-[3,5-bis(fluoranyl)-4-[3-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Yu, Y, Chen, Q. | | Deposit date: | 2019-03-08 | | Release date: | 2020-03-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.781 Å) | | Cite: | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production.
J.Med.Chem., 63, 2020
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6JME
 | | Crystal structure of human DHODH in complex with inhibitor 0946 | | Descriptor: | 3-[3,5-bis(fluoranyl)-4-(2-fluorophenyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Yu, Y, Chen, Q. | | Deposit date: | 2019-03-08 | | Release date: | 2020-03-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production.
J.Med.Chem., 63, 2020
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4XDD
 | | Apo [FeFe]-Hydrogenase CpI | | Descriptor: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ... | | Authors: | Esselborn, J, Hofmann, E, Kurisu, G, Happe, T. | | Deposit date: | 2014-12-19 | | Release date: | 2015-11-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.599 Å) | | Cite: | A structural view of synthetic cofactor integration into [FeFe]-hydrogenases.
Chem Sci, 7, 2016
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4XDG
 | | Crystal Structure of Quinone Reductase II in complex with 2-(4-aminophenyl)-5-methoxy-1-oxy-indol-3-one molecule | | Descriptor: | (2S)-2-(4-aminophenyl)-1-hydroxy-5-methoxy-1,2-dihydro-3H-indol-3-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | Authors: | Sirigu, S, Nepveu, F, Vuillard, L, Ferry, G, Isabet, T, Thompson, A, Boutin, J.A. | | Deposit date: | 2014-12-19 | | Release date: | 2016-01-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Role of Quinone Reductase 2 in the Antimalarial Properties of Indolone-Type Derivatives.
Molecules, 22, 2017
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9KW4
 | | Crystal structure of CYP105A1 R84A and miconazole complex | | Descriptor: | 1-[(2S)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Hirano, Y, Yoneda, S, Yasuda, K, Takimoto-Kamimura, M, Sakaki, T, Tamada, T. | | Deposit date: | 2024-12-05 | | Release date: | 2025-05-21 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Cooperative inhibition in cytochrome P450 between a substrate and an apparent noncompetitive inhibitor.
J.Biol.Chem., 301, 2025
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6JLP
 | | XFEL structure of cyanobacterial photosystem II (3F state, dataset2) | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Suga, M, Shen, J.R. | | Deposit date: | 2019-03-06 | | Release date: | 2019-10-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
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6JLN
 | | XFEL structure of cyanobacterial photosystem II (1F state, dataset2) | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Suga, M, Shen, J.R. | | Deposit date: | 2019-03-06 | | Release date: | 2019-10-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
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6JLJ
 | | XFEL structure of cyanobacterial photosystem II (dark state, dataset1) | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Suga, M, Shen, J.R. | | Deposit date: | 2019-03-06 | | Release date: | 2019-10-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
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6JLM
 | | XFEL structure of cyanobacterial photosystem II (dark state, dataset2) | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Suga, M, Shen, J.R. | | Deposit date: | 2019-03-06 | | Release date: | 2019-10-16 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
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6JLK
 | | XFEL structure of cyanobacterial photosystem II (1F state, dataset1) | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Suga, M, Shen, J.R. | | Deposit date: | 2019-03-06 | | Release date: | 2019-10-16 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
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6JLO
 | | XFEL structure of cyanobacterial photosystem II (2F state, dataset2) | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Suga, M, Shen, J.R. | | Deposit date: | 2019-03-06 | | Release date: | 2019-10-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
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4WJY
 | | Esherichia coli nitrite reductase NrfA H264N | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cytochrome c-552, ... | | Authors: | Clarke, T.A, Edwards, M.J, Lockwood, C.W.J. | | Deposit date: | 2014-10-01 | | Release date: | 2015-03-11 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Resolution of key roles for the distal pocket histidine in cytochrome C nitrite reductases.
J.Am.Chem.Soc., 137, 2015
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4WMH
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4URA
 | | Crystal structure of human JMJD2A in complex with compound 14a | | Descriptor: | 1,2-ETHANEDIOL, 2-(2H-1,2,3-triazol-4-yl)pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | | Authors: | Krojer, T, England, K.S, Vollmar, M, Crawley, L, Williams, E, Riesebos, E, Szykowska, A, Burgess-Brown, N, Oppermann, U, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2014-06-27 | | Release date: | 2015-06-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11) inhibitor.
Medchemcomm, 5, 2014
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4WET
 | | Crystal structure of E.Coli DsbA in complex with compound 16 | | Descriptor: | 1,2-ETHANEDIOL, N-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-tyrosine, SODIUM ION, ... | | Authors: | Ilyichova, O.V, Scanlon, M.J. | | Deposit date: | 2014-09-11 | | Release date: | 2015-01-21 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4WF5
 | | Crystal structure of E.Coli DsbA soaked with compound 4 | | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid, COPPER (II) ION, ... | | Authors: | Adams, L.A, Sharma, P, Mohanty, B, Ilyichova, O.V, Mulcair, M.D, Williams, M.L, Gleeson, E.C, Totsika, M, Doak, B.C, Caria, S, Rimmer, K, Shouldice, S.R, Vazirani, M, Headey, S.J, Plumb, B.R, Martin, J.L, Heras, B, Simpson, J.S, Scanlon, M.J. | | Deposit date: | 2014-09-12 | | Release date: | 2015-01-21 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA.
Angew.Chem.Int.Ed.Engl., 54, 2015
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