6ATV
 
 | | The molecular mechanisms by which NS1 of the 1918 Spanish influenza A virus hijack host protein-protein interactions | | 分子名称: | Adapter molecule crk, proline-rich motif in IAV-NS1 | | 著者 | Shen, Q, Zeng, D, Zhao, B, Li, P, Cho, J.H. | | 登録日 | 2017-08-29 | | 公開日 | 2018-08-08 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.751 Å) | | 主引用文献 | Molecular Mechanisms of Tight Binding through Fuzzy Interactions.
Biophys. J., 114, 2018
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7K2V
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7K1W
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7K1Y
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7WQY
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7W3S
 | | The complex structure of Larg1-ADPr from Legionella pneumophila | | 分子名称: | Type IV secretion protein Dot, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | 著者 | Ouyang, S, Guan, H, Li, P. | | 登録日 | 2021-11-26 | | 公開日 | 2022-04-06 | | 最終更新日 | 2022-05-18 | | 実験手法 | X-RAY DIFFRACTION (2.324 Å) | | 主引用文献 | Legionella pneumophila temporally regulates the activity of ADP/ATP translocases by reversible ADP-ribosylation.
mLife, 2022
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5KEV
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5KEW
 | | Vibrio parahaemolyticus VtrA/VtrC complex bound to the bile salt taurodeoxycholate | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, SULFATE ION, ... | | 著者 | Tomchick, D.R, Orth, K, Rivera-Cancel, G. | | 登録日 | 2016-06-10 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.103 Å) | | 主引用文献 | Bile salt receptor complex activates a pathogenic type III secretion system.
Elife, 5, 2016
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5B25
 | | Crystal structure of human PDE1B with inhibitor 3 | | 分子名称: | (11R,15S)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, GLYCEROL, ... | | 著者 | Ida, K, Lane, W, Snell, G, Sogabe, S. | | 登録日 | 2016-01-07 | | 公開日 | 2016-02-03 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of Potent and Selective Inhibitors of Phosphodiesterase 1 for the Treatment of Cognitive Impairment Associated with Neurodegenerative and Neuropsychiatric Diseases
J.Med.Chem., 59, 2016
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4XVC
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7LUK
 | | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692) IN COMPLEX WITH AN AZATRICYCLIC RORGT INVERSE AGONIST | | 分子名称: | (2S)-N-[(6aS,7R,9aS)-9a-[(4-fluorophenyl)sulfonyl]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6,6a,7,8,9,9a-hexahydro-5H-cyclopenta[f]quinolin-7-yl]-2-hydroxy-2-methyl-3-(methylsulfonyl)propanamide, Nuclear receptor ROR-gamma | | 著者 | Sack, J.S. | | 登録日 | 2021-02-22 | | 公開日 | 2021-05-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.087 Å) | | 主引用文献 | Azatricyclic Inverse Agonists of ROR gamma t That Demonstrate Efficacy in Models of Rheumatoid Arthritis and Psoriasis.
Acs Med.Chem.Lett., 12, 2021
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6U25
 | | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS- RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC INVERSE AGONIST | | 分子名称: | GLYCEROL, NUCLEAR RECEPTOR COACTIVATOR 1 CHIMERA, trans-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid | | 著者 | Sack, J. | | 登録日 | 2019-08-19 | | 公開日 | 2019-11-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Rationally Designed, Conformationally Constrained Inverse Agonists of ROR gamma t-Identification of a Potent, Selective Series with Biologic-Like in Vivo Efficacy.
J.Med.Chem., 62, 2019
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6KZ5
 | | Crystal Structure Analysis of the Csn-B-bounded NUR77 Ligand binding Domain | | 分子名称: | Nuclear receptor subfamily 4 group A member 1, ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate | | 著者 | Hong, W, Chen, H, Wu, Q, Lin, T. | | 登録日 | 2019-09-23 | | 公開日 | 2020-10-14 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (4.45 Å) | | 主引用文献 | Blocking PPAR gamma interaction facilitates Nur77 interdiction of fatty acid uptake and suppresses breast cancer progression.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5S9R
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMS-986158, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol | | 分子名称: | 1,2-ETHANEDIOL, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4, ... | | 著者 | Sheriff, S. | | 登録日 | 2021-04-01 | | 公開日 | 2021-09-29 | | 最終更新日 | 2021-11-17 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design.
J.Med.Chem., 64, 2021
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5S9P
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide | | 分子名称: | 1,2-ETHANEDIOL, 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide, Bromodomain-containing protein 4 | | 著者 | Sheriff, S. | | 登録日 | 2021-04-01 | | 公開日 | 2021-09-29 | | 最終更新日 | 2021-11-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design.
J.Med.Chem., 64, 2021
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5S9O
 | | CRYSTAL STRUCTURE OF THE HUMAN BRD2 BD1 BROMODOMAIN IN COMPLEX WITH 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide | | 分子名称: | 1,2-ETHANEDIOL, 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide, Bromodomain-containing protein 2 | | 著者 | Sheriff, S. | | 登録日 | 2021-04-01 | | 公開日 | 2021-09-29 | | 最終更新日 | 2021-11-17 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design.
J.Med.Chem., 64, 2021
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5S9Q
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide | | 分子名称: | 1,2-ETHANEDIOL, 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide, Bromodomain-containing protein 4 | | 著者 | Sheriff, S. | | 登録日 | 2021-04-01 | | 公開日 | 2021-09-29 | | 最終更新日 | 2021-11-17 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design.
J.Med.Chem., 64, 2021
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7T9V
 | | Crystal structure of hSTING with the agonist, SHR171032 | | 分子名称: | (3S,4S)-4-(3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazol-1-yl}propyl)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein | | 著者 | Chowdhury, R, Miller, M. | | 登録日 | 2021-12-20 | | 公開日 | 2022-12-21 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis.
Sci Rep, 12, 2022
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7T9U
 | | Crystal structure of hSTING with an agonist (SHR169224) | | 分子名称: | (3S,4S)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4-(prop-2-en-1-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein | | 著者 | Chowdhury, R, Miller, M. | | 登録日 | 2021-12-20 | | 公開日 | 2022-12-21 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis.
Sci Rep, 12, 2022
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8GSP
 | | Complex of FMDV A/WH/CHA/09 and bovine neutralizing scFv antibody W2 | | 分子名称: | A/WH/CHA/09 VP1, A/WH/CHA/09 VP2, A/WH/CHA/09 VP3, ... | | 著者 | He, Y, Li, K. | | 登録日 | 2022-09-06 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-12-06 | | 実験手法 | ELECTRON MICROSCOPY (3.75 Å) | | 主引用文献 | Conserved antigen structures and antibody-driven variations on foot-and-mouth disease virus serotype A revealed by bovine neutralizing monoclonal antibodies.
Plos Pathog., 19, 2023
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8TXG
 | | Crystal structure of KRAS G12D in complex with GDP and compound 8 | | 分子名称: | (4M)-4-(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)-7-fluoro-1,3-benzothiazol-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 (1.5 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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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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8GRR
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6WO6
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