8TXH
 
 | | Crystal structure of KRAS G12D in complex with GDP and compound 14 | | 分子名称: | (4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Chen, P, Irimia, A, Yang, Z. | | 登録日 | 2023-08-23 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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8TXE
 | | Crystal structure of KRAS G12D in complex with GDP and compound 5 | | 分子名称: | (6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Chen, P, Irimia, A, Yang, Z. | | 登録日 | 2023-08-23 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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7XMN
 | | Structure of SARS-CoV-2 ORF8 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltodextrin-binding protein, ... | | 著者 | Chen, X, Xu, W. | | 登録日 | 2022-04-26 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Glycosylated, Lipid-Binding, CDR-Like Domains of SARS-CoV-2 ORF8 Indicate Unique Sites of Immune Regulation.
Microbiol Spectr, 11, 2023
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3DBN
 | | Crystal structure of the Streptoccocus suis serotype2 D-mannonate dehydratase in complex with its substrate | | 分子名称: | D-MANNONIC ACID, MANGANESE (II) ION, Mannonate dehydratase | | 著者 | Peng, H, Zhang, Q, Gao, F, Gao, G.F. | | 登録日 | 2008-06-02 | | 公開日 | 2009-06-23 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal structures of Streptococcus suis mannonate dehydratase (ManD) and its complex with substrate: genetic and biochemical evidence for a catalytic mechanism
J.Bacteriol., 191, 2009
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5WMA
 | | N-terminal bromodomain of BRD4 in complex with PLX5981 | | 分子名称: | 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, Bromodomain-containing protein 4 | | 著者 | Zhang, Y. | | 登録日 | 2017-07-28 | | 公開日 | 2018-08-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.401 Å) | | 主引用文献 | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor.
Cancer Discov, 8, 2018
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4GFG
 | | Crystal structure of spleen tyrosine kinase complexed with r9021 | | 分子名称: | 6-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(5,6-dimethylpyridin-2-yl)amino]pyridazine-3-carboxamide, Tyrosine-protein kinase SYK | | 著者 | Lukacs, C, Slade, M. | | 登録日 | 2012-08-03 | | 公開日 | 2013-08-14 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | A specific SYK inhibitor blocks B Cell Receptor, Fc Receptor, and Toll-like Receptor 9 pathways for the treatment of inflammatory diseases.
To be Published
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3MFQ
 | | A Glance into the Metal Binding Specificity of TroA: Where Elaborate Behaviors Occur in the Active Center | | 分子名称: | High-affinity zinc uptake system protein znuA, ZINC ION | | 著者 | Gao, G.F, Zheng, B, Zhang, Q, Gao, J, Han, H, Li, M. | | 登録日 | 2010-04-03 | | 公開日 | 2011-04-13 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.598 Å) | | 主引用文献 | Insight into the interaction of metal ions with TroA from Streptococcus suis
Plos One, 6, 2011
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4GGL
 | | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity | | 分子名称: | 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one, DNA gyrase subunit B, GLYCEROL | | 著者 | Bensen, D.C, Creighton, C.J, Tari, L.W. | | 登録日 | 2012-08-06 | | 公開日 | 2013-02-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
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4GNE
 | | Crystal Structure of NSD3 tandem PHD5-C5HCH domains complexed with H3 peptide 1-7 | | 分子名称: | Histone H3.3, Histone-lysine N-methyltransferase NSD3, ZINC ION | | 著者 | Li, F, He, C, Wu, J, Shi, Y. | | 登録日 | 2012-08-17 | | 公開日 | 2013-01-02 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | The methyltransferase NSD3 has chromatin-binding motifs, PHD5-C5HCH, that are distinct from other NSD (nuclear receptor SET domain) family members in their histone H3 recognition.
J.Biol.Chem., 288, 2013
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4GNF
 | | Crystal Structure of NSD3 tandem PHD5-C5HCH domains complexed with H3 peptide 1-15 | | 分子名称: | Histone H3.3, Histone-lysine N-methyltransferase NSD3, ZINC ION | | 著者 | Li, F, He, C, Wu, J, Shi, Y. | | 登録日 | 2012-08-17 | | 公開日 | 2013-01-02 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | The methyltransferase NSD3 has chromatin-binding motifs, PHD5-C5HCH, that are distinct from other NSD (nuclear receptor SET domain) family members in their histone H3 recognition.
J.Biol.Chem., 288, 2013
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4GND
 | | Crystal Structure of NSD3 tandem PHD5-C5HCH domains | | 分子名称: | Histone-lysine N-methyltransferase NSD3, ZINC ION | | 著者 | Li, F, He, C, Wu, J, Shi, Y. | | 登録日 | 2012-08-17 | | 公開日 | 2013-01-02 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | The methyltransferase NSD3 has chromatin-binding motifs, PHD5-C5HCH, that are distinct from other NSD (nuclear receptor SET domain) family members in their histone H3 recognition.
J.Biol.Chem., 288, 2013
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4PLJ
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5WA5
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor XMD11-50 | | 分子名称: | 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 | | 著者 | Xu, X, Blacklow, S.C. | | 登録日 | 2017-06-24 | | 公開日 | 2018-07-04 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.172 Å) | | 主引用文献 | 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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7SO7
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7SO5
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5WFK
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6CJ1
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG071 | | 分子名称: | 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, ... | | 著者 | Xu, X, Blacklow, S.C. | | 登録日 | 2018-02-25 | | 公開日 | 2018-08-29 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | 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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8XZH
 | | Cryo-EM structure of the MM07-bound human APLNR-Gi complex | | 分子名称: | Apelin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Wang, W, Ji, S, Zhang, Y. | | 登録日 | 2024-01-21 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
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8XZI
 | | Cryo-EM structure of the CMF-019-bound human APLNR-Gi complex | | 分子名称: | (3~{S})-5-methyl-3-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]carbonylamino]hexanoic acid, Apelin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Wang, W, Ji, S, Zhang, Y. | | 登録日 | 2024-01-21 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
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8XZG
 | | Cryo-EM structure of the [Pyr1]-apelin-13-bound human APLNR-Gi complex | | 分子名称: | Apelin receptor, Apelin-13, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Wang, W, Ji, S, Zhang, Y. | | 登録日 | 2024-01-21 | | 公開日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
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6POP
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6CFD
 | | ADEP4 bound to E. faecium ClpP | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit, N-[(6aS,12S,15aS,17R,21R,23aS)-17,21-dimethyl-6,11,15,20,23-pentaoxooctadecahydro-2H,6H,11H,15H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13]oxatetraazacyclohexadecin-12-yl]-3,5-difluoro-Nalpha-[(2E)-hept-2-enoyl]-L-phenylalaninamide | | 著者 | Lee, R.E, Griffith, E.C. | | 登録日 | 2018-02-14 | | 公開日 | 2018-05-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | In VivoandIn VitroEffects of a ClpP-Activating Antibiotic against Vancomycin-Resistant Enterococci.
Antimicrob. Agents Chemother., 62, 2018
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6PRM
 | | Crystal structure of apo PsS1_19B | | 分子名称: | CALCIUM ION, exo-4S-kappa carrageenan S1 sulfatase | | 著者 | Hettle, A.G, Boraston, A.B. | | 登録日 | 2019-07-10 | | 公開日 | 2019-09-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Commun Biol, 2, 2019
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5HMM
 | | Crystal Structure of T5 D15 Protein Co-crystallized with Metal Ions | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Exodeoxyribonuclease, ... | | 著者 | Flemming, C.S, Sedelnikova, S.E, Rafferty, J.B, Sayers, J.R, Artymiuk, P.J. | | 登録日 | 2016-01-16 | | 公開日 | 2016-06-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Direct observation of DNA threading in flap endonuclease complexes.
Nat.Struct.Mol.Biol., 23, 2016
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7T4E
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