8KGQ
| Structure of African swine fever virus topoisomerase II in complex with dsDNA | Descriptor: | DNA (38-MER), DNA topoisomerase 2 | Authors: | Cong, J, Xin, Y, Li, X, Chen, Y. | Deposit date: | 2023-08-19 | Release date: | 2024-04-03 | Last modified: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (5.6 Å) | Cite: | Structural insights into the DNA topoisomerase II of the African swine fever virus. Nat Commun, 15, 2024
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4F20
| Crystal structures reveal the multi-ligand binding mechanism of the Staphylococcus aureus ClfB | Descriptor: | Clumping factor B, MAGNESIUM ION, peptide from Dermokine | Authors: | Yang, M.J, Xiang, H, Wang, J.W, Liu, B, Chen, Y.G, Liu, L, Deng, X.M, Feng, Y. | Deposit date: | 2012-05-07 | Release date: | 2012-08-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Crystal Structures Reveal the Multi-Ligand Binding Mechanism of Staphylococcus aureus ClfB Plos Pathog., 8, 2012
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4F12
| Crystal structure of the extracellular domain of human GABA(B) receptor GBR2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid type B receptor subunit 2 | Authors: | Geng, Y, Xiong, D, Mosyak, L, Malito, D.L, Kniazeff, J, Chen, Y, Burmakina, S, Quick, M, Bush, M, Javitch, J.A, Pin, J.-P, Fan, Q.R. | Deposit date: | 2012-05-05 | Release date: | 2012-06-06 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Structure and functional interaction of the extracellular domain of human GABA(B) receptor GBR2. Nat.Neurosci., 15, 2012
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3GQQ
| Crystal structure of the human retinal protein 4 (unc-119 homolog A). Northeast Structural Genomics Consortium target HR3066a | Descriptor: | Protein unc-119 homolog A, UNKNOWN LIGAND | Authors: | Vorobiev, S.M, Chen, Y, Seetharaman, J, Shastry, R, Foote, E.L, Ciccosanti, C, Sahdev, S, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-03-24 | Release date: | 2009-04-07 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (1.945 Å) | Cite: | Crystal structure of the human retinal protein 4 (unc-119 homolog A). To be Published
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3TEF
| Crystal Structure of the Periplasmic Catecholate-Siderophore Binding Protein VctP from Vibrio Cholerae | Descriptor: | Iron(III) ABC transporter, periplasmic iron-compound-binding protein | Authors: | Liu, X, Wang, Z, Liu, S, Li, N, Chen, Y, Zhu, C, Zhu, D, Wei, T, Huang, Y, Xu, S, Gu, L. | Deposit date: | 2011-08-13 | Release date: | 2012-08-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Crystal structure of periplasmic catecholate-siderophore binding protein VctP from Vibrio cholerae at 1.7 A resolution Febs Lett., 586, 2012
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6M7I
| Crystal structure of KPC-2 with compound 3 | Descriptor: | 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2018-08-20 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
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3HIX
| Crystal Structure of the Rhodanese_3 like domain from Anabaena sp Alr3790 protein. Northeast Structural Genomics Consortium Target NsR437i | Descriptor: | Alr3790 protein, MANGANESE (II) ION | Authors: | Vorobiev, S, Chen, Y, Forouhar, F, Maglaqui, M, Ciccosanti, C, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-05-20 | Release date: | 2009-05-26 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal Structure of the Rhodanese_3 like domain from Anabaena sp Alr3790 protein. To be Published
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4QSG
| Crystal structure of gas vesicle protein GvpF from Microcystis aeruginosa | Descriptor: | Gas vesicle protein | Authors: | Xu, B.Y, Dai, Y.N, Zhou, K, Ren, Y.M, Liu, Y.T, Chen, Y, Zhou, C.Z. | Deposit date: | 2014-07-03 | Release date: | 2014-11-12 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of the gas vesicle protein GvpF from the cyanobacterium Microcystis aeruginosa. Acta Crystallogr.,Sect.D, 70, 2014
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3SF5
| Crystal Structure of Helicobacter pylori Urease Accessory Protein UreF/H complex | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ... | Authors: | Fong, Y.H, Chen, Y.W, Wong, K.B. | Deposit date: | 2011-06-12 | Release date: | 2011-11-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.495 Å) | Cite: | Assembly of preactivation complex for urease maturation in Helicobacter pylori: crystal structure of UreF-UreH protein complex J.Biol.Chem., 286, 2011
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6MIA
| Crystal structure of CTX-M-14 with compound 6 | Descriptor: | 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Beta-lactamase | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2018-09-19 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.399 Å) | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
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8WZ9
| The crystal structure of Legionella pneumophila adenosylhomocysteinase Lpg2021 in ternary complex with NAD and adenine | Descriptor: | ADENINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Gao, Y.S, Xie, R, Chen, Y.N, Ma, J.M, Ge, H.H. | Deposit date: | 2023-11-01 | Release date: | 2024-11-06 | Method: | X-RAY DIFFRACTION (1.649 Å) | Cite: | The crystal structure of Legionella pneumophila adenosylhomocysteinase Lpg2021 in ternary complex with NAD and adenine To Be Published
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6JJ3
| BRD4 in complex with 138A | Descriptor: | 2-methoxy-N-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide, Bromodomain-containing protein 4 | Authors: | Xu, J, Chen, Y, Jiang, F, Zhu, J. | Deposit date: | 2019-02-25 | Release date: | 2020-01-22 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.718 Å) | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis. J.Med.Chem., 62, 2019
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6MLL
| Crystal structure of KPC-2 with compound 7 | Descriptor: | 1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2018-09-27 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
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4GM8
| Crystal structure of human WD repeat domain 5 with compound MM-102 | Descriptor: | MM-102, WD repeat-containing protein 5 | Authors: | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S. | Deposit date: | 2012-08-15 | Release date: | 2013-07-31 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | High-affinity, small-molecule peptidomimetic inhibitors of MLL1/WDR5 protein-protein interaction. J.Am.Chem.Soc., 135, 2013
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6MNP
| Crystal structure of KPC-2 with compound 6 | Descriptor: | 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2018-10-02 | Release date: | 2019-04-17 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
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6MZ1
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8HYK
| CD-NTase EfCdnE in complex with intermediate pppU[2'-5']p | Descriptor: | EfCdnE, MAGNESIUM ION, [[(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Authors: | Ko, T.-P, Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y. | Deposit date: | 2023-01-06 | Release date: | 2023-07-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.021 Å) | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases. Nat Commun, 14, 2023
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4GM9
| Crystal structure of human WD repeat domain 5 with compound MM-401 | Descriptor: | MM-401, WD repeat-containing protein 5 | Authors: | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Liu, L, Dou, Y, Lei, M, Wang, S. | Deposit date: | 2012-08-15 | Release date: | 2014-02-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of human WD repeat domain 5 with compound MM-401 To be Published
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8WZ8
| The crystal structure of Legionella pneumophila adenosylhomocysteinase Lpg2021(T67A,Q69A) complex with NAD | Descriptor: | Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | Authors: | Gao, Y.S, Xie, R, Chen, Y.N, Ma, J.M, Ge, H.H. | Deposit date: | 2023-11-01 | Release date: | 2024-11-06 | Method: | X-RAY DIFFRACTION (2.583 Å) | Cite: | The crystal structure of Legionella pneumophila adenosylhomocysteinase Lpg2021(T67A,Q69A) complex with NAD To Be Published
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4F11
| Crystal structure of the extracellular domain of human GABA(B) receptor GBR2 | Descriptor: | Gamma-aminobutyric acid type B receptor subunit 2 | Authors: | Geng, Y, Xiong, D, Mosyak, L, Malito, D.L, Kniazeff, J, Chen, Y, Burmakina, S, Quick, M, Bush, M, Javitch, J.A, Pin, J.-P, Fan, Q.R. | Deposit date: | 2012-05-05 | Release date: | 2012-06-06 | Last modified: | 2012-08-15 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structure and functional interaction of the extracellular domain of human GABA(B) receptor GBR2. Nat.Neurosci., 15, 2012
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7JRN
| Crystal structure of the wild type SARS-CoV-2 papain-like protease (PLPro) with inhibitor GRL0617 | Descriptor: | 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, SULFATE ION, ... | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | Deposit date: | 2020-08-12 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Discovery of SARS-CoV-2 Papain-like Protease Inhibitors through a Combination of High-Throughput Screening and a FlipGFP-Based Reporter Assay. Acs Cent.Sci., 7, 2021
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6JJB
| BRD4 in complex with ZZM1 | Descriptor: | 2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide, Bromodomain-containing protein 4 | Authors: | Xu, J, Chen, Y, Jiang, F, Zhu, J. | Deposit date: | 2019-02-25 | Release date: | 2020-01-22 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.508 Å) | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis. J.Med.Chem., 62, 2019
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4N6E
| Crystal structure of Amycolatopsis orientalis BexX/CysO complex | Descriptor: | Putative thiosugar synthase, SULFATE ION, ThiS/MoaD family protein | Authors: | Zhang, X, Zhang, Y, Kinsland, C, Sasaki, E, Sun, H.G, Lu, M.J, Liu, T, Ou, A, Li, J, Chen, Y, Liu, H, Ealick, S.E. | Deposit date: | 2013-10-11 | Release date: | 2014-05-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Co-opting sulphur-carrier proteins from primary metabolic pathways for 2-thiosugar biosynthesis. Nature, 509, 2014
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7D5O
| C-Src in complex with TAS-120 | Descriptor: | 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one, Proto-oncogene tyrosine-protein kinase Src | Authors: | Qu, L.Z, Chen, Y.H. | Deposit date: | 2020-09-27 | Release date: | 2021-12-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors Commun Chem, 5, 2022
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7VGH
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