5WA5
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor XMD11-50 | Descriptor: | 1,2-ETHANEDIOL, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2017-06-24 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.172 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
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6KA2
| Crystal structure of a Thebaine synthase from Papaver somniferum in complex with TBN | Descriptor: | (4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline, Thebaine synthase 2 | Authors: | Xue, J, Yu, X.J, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2019-06-20 | Release date: | 2020-06-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural insights into thebaine synthase 2 catalysis. Biochem.Biophys.Res.Commun., 529, 2020
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6KA3
| Crystal structure of a Thebaine synthase from Papaver somniferum | Descriptor: | PALMITIC ACID, SULFATE ION, Thebaine synthase 2 | Authors: | Xue, J, Yu, X.J, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2019-06-20 | Release date: | 2020-06-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.951 Å) | Cite: | Structural insights into thebaine synthase 2 catalysis. Biochem.Biophys.Res.Commun., 529, 2020
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5NJ2
| Crystal structure of BlaC from Mycobacterium tuberculosis bound to phosphate | Descriptor: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL, ACETATE ION, ... | Authors: | Tassoni, R, Pannu, N.S, Ubbink, M. | Deposit date: | 2017-03-27 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Phosphate Promotes the Recovery of Mycobacterium tuberculosis beta-Lactamase from Clavulanic Acid Inhibition. Biochemistry, 56, 2017
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5OYO
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6IJ1
| Crystal structure of a protein from Actinoplanes | Descriptor: | ACETATE ION, IMIDAZOLE, Prenylcyclase | Authors: | Yang, Z.Z, Zhang, L.L, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-10-08 | Release date: | 2019-09-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.521 Å) | Cite: | Crystal structure of TchmY from Actinoplanes teichomyceticus. Acta Crystallogr.,Sect.F, 75, 2019
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6CIS
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG047 | Descriptor: | 1,2-ETHANEDIOL, 11-cyclopentyl-5-methyl-2-({4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-[(propan-2-yl)oxy]phenyl}amino)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ... | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2018-02-25 | Release date: | 2018-08-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
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6CIY
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG069 | Descriptor: | 1,2-ETHANEDIOL, 11-cyclobutyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ... | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2018-02-25 | Release date: | 2018-08-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
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6CD4
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG046 | Descriptor: | 1,2-ETHANEDIOL, 2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2018-02-08 | Release date: | 2018-08-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
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7VQ6
| Structure of a specialized glyoxalase from Gossypium hirsutum | Descriptor: | Lactoylglutathione lyase, NICKEL (II) ION | Authors: | Li, H, Hu, Y.M, Dai, L.H, Chen, C.C, Huang, J.W, Liu, W.D, Guo, R.T. | Deposit date: | 2021-10-19 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Crystal structure and biochemical analysis of the specialized deoxynivalenol-detoxifying glyoxalase SPG from Gossypium hirsutum. Int.J.Biol.Macromol., 200, 2022
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6CD5
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor XMD17-26 | Descriptor: | 1,2-ETHANEDIOL, 11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ... | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2018-02-08 | Release date: | 2019-01-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
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6CJ2
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG056 | Descriptor: | 2-{[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2018-02-26 | Release date: | 2019-03-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. Acs Chem.Biol., 13, 2018
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6CJ1
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG071 | Descriptor: | 1,2-ETHANEDIOL, 11-[(2R)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, 11-[(2S)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, ... | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2018-02-25 | Release date: | 2018-08-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
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5ZNC
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5ZNI
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7FC0
| Reconstitution of MbnABC complex from Rugamonas rubra ATCC-43154 (GroupIII) | Descriptor: | FE (III) ION, Methanobactin biosynthesis cassette protein MbnB, Methanobactin biosynthesis cassette protein MbnC, ... | Authors: | Chao, D, Zhaolin, L, Shoujie, L, Li, Z, Dan, Z, Ying, J, Wei, C. | Deposit date: | 2021-07-13 | Release date: | 2022-03-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.643 Å) | Cite: | Crystal structure and catalytic mechanism of the MbnBC holoenzyme required for methanobactin biosynthesis. Cell Res., 32, 2022
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7DZ9
| MbnABC complex | Descriptor: | FE (III) ION, MbnA, MbnB, ... | Authors: | Chao, D, Dan, Z, Yijun, G, Wei, C. | Deposit date: | 2021-01-25 | Release date: | 2022-03-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure and catalytic mechanism of the MbnBC holoenzyme required for methanobactin biosynthesis. Cell Res., 32, 2022
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7CWQ
| Crystal structure of a novel cutinase from Burkhoderiales bacterium RIFCSPLOWO2_02_FULL_57_36 | Descriptor: | DLH domain-containing protein, SULFATE ION | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2020-08-30 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | General features to enhance enzymatic activity of poly(ethylene terephthalate) hydrolysis. Nat Catal, 4, 2021
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7CY0
| Crystal structure of S185H mutant PET hydrolase from Ideonella sakaiensis | Descriptor: | ACETIC ACID, Poly(ethylene terephthalate) hydrolase | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2020-09-03 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | General features to enhance enzymatic activity of poly(ethylene terephthalate) hydrolysis. Nat Catal, 4, 2021
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6IW5
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6IW1
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6ILN
| Cryo-EM structure of full Echovirus 6 particle at PH 5.5 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Gao, G.F, Liu, S, Zhao, X, Peng, R. | Deposit date: | 2018-10-19 | Release date: | 2019-05-15 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B. Cell, 177, 2019
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6IW4
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6ILL
| Cryo-EM structure of Echovirus 6 complexed with its uncoating receptor FcRn at PH 5.5 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Gao, G.F, Liu, S, Zhao, X, Peng, R. | Deposit date: | 2018-10-19 | Release date: | 2019-05-15 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B. Cell, 177, 2019
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6IVZ
| Crystal structure of 5A ScFv complexed with YFV-China sE in postfusion state | Descriptor: | Envelope protein, Heavy chain of monoclonal antibody 5A, Light chain of monoclonal antibody 5A | Authors: | Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F. | Deposit date: | 2018-12-04 | Release date: | 2019-02-13 | Last modified: | 2019-02-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope. Cell Rep, 26, 2019
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