1DL7
 
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6RB9
 | | The pore structure of Clostridium perfringens epsilon toxin | | 分子名称: | Epsilon-toxin type B | | 著者 | Savva, C.G, Clark, A.R, Naylor, C.E, Popoff, M.R, Moss, D.S, Basak, A.K, Titball, R.W, Bokori-Brown, M. | | 登録日 | 2019-04-09 | | 公開日 | 2019-06-19 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | The pore structure of Clostridium perfringens epsilon toxin.
Nat Commun, 10, 2019
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6YBA
 | | HAdV-F41 Capsid | | 分子名称: | Hexon protein, Hexon-interlacing protein, Penton protein, ... | | 著者 | Perez Illana, M, Martinez, M, Mangroo, C, Brown, M, Marabini, R, San Martin, C. | | 登録日 | 2020-03-16 | | 公開日 | 2021-03-10 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Cryo-EM structure of enteric adenovirus HAdV-F41 highlights structural variations among human adenoviruses.
Sci Adv, 7, 2021
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1VZO
 | | The structure of the N-terminal kinase domain of MSK1 reveals a novel autoinhibitory conformation for a dual kinase protein | | 分子名称: | BETA-MERCAPTOETHANOL, RIBOSOMAL PROTEIN S6 KINASE ALPHA 5, SULFATE ION | | 著者 | Smith, K.J, Carter, P.S, Bridges, A, Horrocks, P, Lewis, C, Pettman, G, Clarke, A, Brown, M, Hughes, J, Wilkinson, M, Bax, B, Reith, A. | | 登録日 | 2004-05-21 | | 公開日 | 2004-06-11 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The Structure of Msk1 Reveals a Novel Autoinhibitory Conformation for a Dual Kinase Protein
Structure, 12, 2004
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5GAQ
 | | Cryo-EM structure of the Lysenin Pore | | 分子名称: | Lysenin | | 著者 | Savva, C.G, Bokori-Brown, M, Martin, T.G, Titball, R.W, Naylor, C.E, Basak, A.K. | | 登録日 | 2016-01-05 | | 公開日 | 2016-04-06 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Cryo-EM structure of lysenin pore elucidates membrane insertion by an aerolysin family protein
Nat Commun, 7, 2016
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4H56
 | | Crystal structure of the Clostridium perfringens NetB toxin in the membrane inserted form | | 分子名称: | Necrotic enteritis toxin B | | 著者 | Savva, C.G, Fernandes da Costa, S.P, Bokori-Brown, M, Naylor, C, Cole, A.R, Moss, D.S, Titball, R.W, Basak, A.K. | | 登録日 | 2012-09-18 | | 公開日 | 2012-12-26 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.9 Å) | | 主引用文献 | Molecular Architecture and Functional Analysis of NetB, a Pore-forming Toxin from Clostridium perfringens.
J.Biol.Chem., 288, 2013
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3JCA
 | | Core model of the Mouse Mammary Tumor Virus intasome | | 分子名称: | 5'-D(*AP*AP*TP*GP*CP*CP*GP*CP*AP*GP*TP*CP*GP*GP*CP*CP*GP*AP*CP*CP*TP*G)-3', 5'-D(*CP*AP*GP*GP*TP*CP*GP*GP*CP*CP*GP*AP*CP*TP*GP*CP*GP*GP*CP*A)-3', Integrase, ... | | 著者 | Lyumkis, D.L, Ballandras-Colas, A, Brown, M, Cook, N.J, Dewdney, T.G, Demeler, B, Cherepanov, P, Engelman, A.N. | | 登録日 | 2015-11-24 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (4.8 Å) | | 主引用文献 | Cryo-EM reveals a novel octameric integrase structure for betaretroviral intasome function.
Nature, 530, 2016
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4J5P
 | | Crystal Structure of a Covalently Bound alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to a Humanized Variant of Fatty Acid Amide Hydrolase | | 分子名称: | (1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Otrubova, K, Brown, M, McCormick, M.S, Han, G.W, O'Neal, S.T, Cravatt, B.F, Stevens, R.C, Lichtman, A.H, Boger, D.L. | | 登録日 | 2013-02-08 | | 公開日 | 2013-05-01 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Rational design of Fatty Acid amide hydrolase inhibitors that act by covalently bonding to two active site residues.
J.Am.Chem.Soc., 135, 2013
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3ZJX
 | | Clostridium perfringens epsilon toxin mutant H149A bound to octyl glucoside | | 分子名称: | EPSILON-TOXIN, PHOSPHATE ION, octyl beta-D-glucopyranoside | | 著者 | Bokori-Brown, M, Kokkinidou, M.C, Savva, C.G, Fernandes da Costa, S.P, Naylor, C.E, Cole, A.R, Basak, A.K, Titball, R.W. | | 登録日 | 2013-01-20 | | 公開日 | 2013-03-27 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Clostridium Perfringens Epsilon Toxin H149A Mutant as a Platform for Receptor Binding Studies.
Protein Sci., 22, 2013
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3RU0
 | | Cocrystal structure of human SMYD3 with inhibitor Sinefungin bound | | 分子名称: | SET and MYND domain-containing protein 3, SINEFUNGIN, ZINC ION | | 著者 | Foreman, K.W, Brown, M, Park, F, Emtage, S, Harriss, J, Das, C, Zhu, L, Crew, A, Arnold, L, Shaaban, S, Tucker, P. | | 登録日 | 2011-05-04 | | 公開日 | 2011-05-18 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.849 Å) | | 主引用文献 | Structural and Functional Profiling of the Human Histone Methyltransferase SMYD3.
Plos One, 6, 2011
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3U1Y
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4XI3
 | | Estrogen Receptor Alpha Ligand Binding Domain in Complex with Bazedoxifene | | 分子名称: | Bazedoxifene, Estrogen receptor | | 著者 | Fanning, S.W, Mayne, C.G, Toy, W, Carlson, K, Greene, B, Nowak, J, Walter, R, Panchamukhi, S, Tajhorshid, E, Nettles, K.W, Chandarlapaty, S, Katzenellenbogen, J, Greene, G.L. | | 登録日 | 2015-01-06 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.491 Å) | | 主引用文献 | The SERM/SERD bazedoxifene disrupts ESR1 helix 12 to overcome acquired hormone resistance in breast cancer cells.
Elife, 7, 2018
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3TUA
 | | Crystal Structure of the Burkholderia Lethal Factor 1 (BLF1) C94S mutant | | 分子名称: | Burkholderia Lethal Factor 1 (BLF1) | | 著者 | Cruz, A, Hautbergue, G.M, Artymiuk, P.J, Baker, P.J, Chang, C.T, Mahadi, N.M, Mobbs, G.W, Mohamed, R, Nathan, S, Partridge, L.J, Raih, M.F, Ruzheinikov, S.N, Sedelnikova, S.E, Wilson, S.A, Rice, D.W. | | 登録日 | 2011-09-16 | | 公開日 | 2011-11-30 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | | 主引用文献 | A Burkholderia pseudomallei toxin inhibits helicase activity of translation factor eIF4A.
Science, 334, 2011
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4FJY
 | | Crystal structure of PI3K-gamma in complex with quinoline-indoline inhibitor 24f | | 分子名称: | 4-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1H-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | | 登録日 | 2012-06-12 | | 公開日 | 2012-10-24 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors
J.Med.Chem., 55, 2012
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4FJZ
 | | Crystal structure of PI3K-gamma in complex with pyrrolo-pyridine inhibitor 63 | | 分子名称: | 1'-[7-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-yl]-6'-(morpholin-4-yl)-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine], Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | | 登録日 | 2012-06-12 | | 公開日 | 2012-10-24 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors
J.Med.Chem., 55, 2012
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6ZG4
 | | Structure of M1-StaR-T4L in complex with HTL0009936 at 2.35A | | 分子名称: | Muscarinic acetylcholine receptor M1,Endolysin,Muscarinic acetylcholine receptor M1, OLEIC ACID, PHOSPHATE ION, ... | | 著者 | Rucktooa, P, Cooke, R.M. | | 登録日 | 2020-06-18 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | From structure to clinic: Design of a muscarinic M1 receptor agonist with potential to treatment of Alzheimer's disease.
Cell, 184, 2021
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6ZFZ
 | | Structure of M1-StaR-T4L in complex with 77-LH-28-1 at 2.17A | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Rucktooa, P, Cooke, R.M. | | 登録日 | 2020-06-18 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | From structure to clinic: Design of a muscarinic M1 receptor agonist with potential to treatment of Alzheimer's disease.
Cell, 184, 2021
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6ZG9
 | | Structure of M1-StaR-T4L in complex with GSK1034702 at 2.5A | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 7-fluoranyl-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1~{H}-benzimidazol-2-one, Muscarinic acetylcholine receptor M1,Endolysin,Muscarinic acetylcholine receptor M1, ... | | 著者 | Rucktooa, P, Cooke, R.M. | | 登録日 | 2020-06-18 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | From structure to clinic: Design of a muscarinic M1 receptor agonist with potential to treatment of Alzheimer's disease.
Cell, 184, 2021
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4WWP
 | | Crystal structure of human PI3K-gamma in complex with pyridinylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine | | 分子名称: | GLYCEROL, N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, ... | | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | | 登録日 | 2014-11-11 | | 公開日 | 2014-12-17 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
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4WWN
 | | Crystal structure of human PI3K-gamma in complex with (S)-N-(1-(7-fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine AMG319 inhibitor | | 分子名称: | N-{(1S)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | | 登録日 | 2014-11-11 | | 公開日 | 2014-12-17 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
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4WWO
 | | Crystal structure of human PI3K-gamma in complex with phenylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine | | 分子名称: | N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | | 登録日 | 2014-11-11 | | 公開日 | 2014-12-17 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
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5X7V
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7NPL
 | | ALPHA-1 ANTITRYPSIN (C232S) COMPLEXED WITH cmpd 11 | | 分子名称: | Alpha-1-antitrypsin, GLYCEROL, N-((1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl)-2-oxoindoline-4-carboxamide | | 著者 | Chung, C. | | 登録日 | 2021-02-27 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | The development of highly potent and selective small molecule correctors of Z alpha 1 -antitrypsin misfolding.
Bioorg.Med.Chem.Lett., 41, 2021
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7NPK
 | | ALPHA-1 ANTITRYPSIN C232S COMPLEXED WITH CMPD3 | | 分子名称: | Alpha-1-antitrypsin, GLYCEROL, N-((1S,2R)-1-hydroxy-1-(o-tolyl)pentan-2-yl)-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxamide | | 著者 | Chung, C. | | 登録日 | 2021-02-27 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | The development of highly potent and selective small molecule correctors of Z alpha 1 -antitrypsin misfolding.
Bioorg.Med.Chem.Lett., 41, 2021
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7LKK
 | | Crystal structure of Helicobacter pylori aminofutalosine deaminase (AFLDA) in complex with Methylthio-coformycin | | 分子名称: | (8R)-3-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol, 1,2-ETHANEDIOL, Aminofutalosine deaminase, ... | | 著者 | Harijan, R.K, Feng, M, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | 登録日 | 2021-02-02 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Aminofutalosine Deaminase in the Menaquinone Pathway of Helicobacter pylori .
Biochemistry, 60, 2021
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