8DTZ
 
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4QX4
 | | Human Aldose Reductase complexed with a ligand with a new scaffold at 1.26 A | | 分子名称: | (3-thioxo-2,3-dihydro-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Rechlin, C, Heine, A, Klebe, G. | | 登録日 | 2014-07-18 | | 公開日 | 2015-04-01 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.259 Å) | | 主引用文献 | Identification of novel aldose reductase inhibitors based on carboxymethylated mercaptotriazinoindole scaffold.
J.Med.Chem., 58, 2015
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8E6V
 | | MHR1/2 and NUDT9H of human TRPM2 in 1 mM dADPR (local refinement) | | 分子名称: | ADENOSINE-5-DIPHOSPHORIBOSE, Transient receptor potential cation channel subfamily M member 2, ZINC ION | | 著者 | Wang, L, Fu, T.M, Xia, S, Wu, H. | | 登録日 | 2022-08-23 | | 公開日 | 2024-08-14 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | A unified mechanism for human TRPM2 activation, desensitization and inhibition
To Be Published
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8E6U
 | | Human TRPM2 ion channel in 1 mM F-dADPR | | 分子名称: | Transient receptor potential cation channel subfamily M member 2, [(2R,3S,5R)-5-(6-amino-8-phenyl-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) | | 著者 | Wang, L, Fu, T.M, Xia, S, Wu, H. | | 登録日 | 2022-08-23 | | 公開日 | 2024-08-14 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | A unified mechanism for human TRPM2 activation, desensitization and inhibition
To Be Published
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8E6Q
 | | Human TRPM2 ion channel in 1 mM ADPR | | 分子名称: | ADENOSINE-5-DIPHOSPHORIBOSE, Transient receptor potential cation channel subfamily M member 2 | | 著者 | Wang, L, Fu, T.M, Xia, S, Wu, H. | | 登録日 | 2022-08-23 | | 公開日 | 2024-08-14 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | A unified mechanism for human TRPM2 activation, desensitization and inhibition
To Be Published
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8E6R
 | | Human TRPM2 ion channel in 1 mM dADPR | | 分子名称: | ADENOSINE-5-DIPHOSPHORIBOSE, Transient receptor potential cation channel subfamily M member 2, [(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 | Wang, L, Fu, T.M, Xia, S, Wu, H. | | 登録日 | 2022-08-23 | | 公開日 | 2024-08-14 | | 実験手法 | ELECTRON MICROSCOPY (5.6 Å) | | 主引用文献 | A unified mechanism for human TRPM2 activation, desensitization and inhibition
To Be Published
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8E6T
 | | Human TRPM2 ion channel in 1 mM BR-ADPR | | 分子名称: | (3R,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4,5-trihydroxypentyl [(2S,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name), Transient receptor potential cation channel subfamily M member 2 | | 著者 | Wang, L, Fu, T.M, Xia, S, Wu, H. | | 登録日 | 2022-08-23 | | 公開日 | 2024-08-14 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | A unified mechanism for human TRPM2 activation, desensitization and inhibition
To Be Published
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4QSB
 | | Crystal structure of human carbonic anhydrase isozyme II with 3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, Carbonic anhydrase 2, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2014-07-03 | | 公開日 | 2015-01-21 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII
Plos One, 9, 2014
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5WLH
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4QSI
 | | Crystal structure of human carbonic anhydrase isozyme II with 5-{[(4-tert-buthyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}-2-chlorobenzenesulfonamide | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-{[(4-tert-butyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide, Carbonic anhydrase 2, ... | | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | | 登録日 | 2014-07-04 | | 公開日 | 2015-01-21 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII
Plos One, 9, 2014
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8E6S
 | | Human TRPM2 ion channel in 1 mM dADPR and Ca2+ | | 分子名称: | 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5-DIPHOSPHORIBOSE, CALCIUM ION, ... | | 著者 | Wang, L, Fu, T.M, Xia, S, Wu, H. | | 登録日 | 2022-08-23 | | 公開日 | 2024-08-14 | | 実験手法 | ELECTRON MICROSCOPY (4.6 Å) | | 主引用文献 | A unified mechanism for human TRPM2 activation, desensitization and inhibition
To Be Published
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4GDE
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8UDR
 | | Structure of the P1B7 antibody bound to the Sotorasib-modified KRas G12C peptide presented by the A*03:01 MHC I complex | | 分子名称: | AMG 510 (bound form), Beta-2-microglobulin, GTPase KRas, ... | | 著者 | Chan, L.M, Roweder, P.J, Craik, C.S, Verba, K.A. | | 登録日 | 2023-09-28 | | 公開日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Therapeutic targeting and structural characterization of a Sotorasib-haptenated KRAS G12C MHC I complex
To Be Published
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1YE8
 | | Crystal Structure of THEP1 from the hyperthermophile Aquifex aeolicus | | 分子名称: | Hypothetical UPF0334 kinase-like protein AQ_1292, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Rossbach, M, Daumke, O, Klinger, C, Wittinghofer, A, Kaufmann, M. | | 登録日 | 2004-12-28 | | 公開日 | 2005-03-29 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Crystal structure of THEP1 from the hyperthermophile Aquifex aeolicus: a variation of the RecA fold
BMC Struct.Biol., 5, 2005
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4QPL
 | | Crystal structure of RNF146(RING-WWE)/UbcH5a/iso-ADPr complex | | 分子名称: | 2'-O-(5-O-phosphono-alpha-D-ribofuranosyl)adenosine 5'-(dihydrogen phosphate), E3 ubiquitin-protein ligase RNF146, Ubiquitin-conjugating enzyme E2 D1, ... | | 著者 | Wang, Z, DaRosa, P.A, Klevit, R.E, Xu, W. | | 登録日 | 2014-06-23 | | 公開日 | 2014-10-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Allosteric activation of the RNF146 ubiquitin ligase by a poly(ADP-ribosyl)ation signal.
Nature, 517, 2015
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5AKY
 | | ligand complex structure of soluble epoxide hydrolase | | 分子名称: | 3-(2-phenylethyl)-1H-indazole, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | | 著者 | Oster, L, Tapani, S, Xue, Y, Kack, H. | | 登録日 | 2015-03-05 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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8EJ1
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4H0K
 | | Mutant m58h of Nostoc sp cytochrome c6 | | 分子名称: | Cytochrome c6, HEME C | | 著者 | Pannu, N.S, Skubak, P, Cavazzini, D, Rossi, G.L, Ubbink, M. | | 登録日 | 2012-09-08 | | 公開日 | 2013-09-11 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | The dynamic complex of cytochrome c6 and cytochrome f studied with paramagnetic NMR spectroscopy
Biochim.Biophys.Acta, 1837, 2014
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5AJI
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5A7H
 | | Comparison of the structure and activity of glycosylated and aglycosylated Human Carboxylesterase 1 | | 分子名称: | IODIDE ION, LIVER CARBOXYLESTERASE 1 | | 著者 | Arena de Souza, V, Scott, D.J, Charlton, M, Walsh, M.A, Owen, R.J. | | 登録日 | 2015-07-04 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Comparison of the Structure and Activity of Glycosylated and Aglycosylated Human Carboxylesterase 1.
Plos One, 10, 2015
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5YBI
 | | Structure of the bacterial pathogens ATPase with substrate AMPPNP | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable ATP synthase SpaL/MxiB, ... | | 著者 | Mu, Z.X, Gao, X.P, Cui, S. | | 登録日 | 2017-09-05 | | 公開日 | 2018-06-20 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.268 Å) | | 主引用文献 | Structural Insight Into Conformational Changes Induced by ATP Binding in a Type III Secretion-Associated ATPase FromShigella flexneri.
Front Microbiol, 9, 2018
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8EIG
 | | The complex of phosphorylated human delta F508 cystic fibrosis transmembrane conductance regulator (CFTR) with elexacaftor (VX-445) and ATP/Mg | | 分子名称: | (6P)-N-(1,3-dimethyl-1H-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, ... | | 著者 | Fiedorczuk, K, Chen, J. | | 登録日 | 2022-09-15 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Molecular structures reveal synergistic rescue of Delta 508 CFTR by Trikafta modulators.
Science, 378, 2022
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5AK5
 | | ligand complex structure of soluble epoxide hydrolase | | 分子名称: | 3-PROPYL-5-(3-PYRIDYL)-1H-PYRAZIN-2-ONE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE | | 著者 | Oster, L, Tapani, S, Xue, Y, Kack, H. | | 登録日 | 2015-03-02 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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8EIQ
 | | The complex of phosphorylated human delta F508 cystic fibrosis transmembrane conductance regulator (CFTR) with Trikafta [elexacaftor (VX-445), tezacaftor (VX-661), ivacaftor (VX-770)] and ATP/Mg | | 分子名称: | (6P)-N-(1,3-dimethyl-1H-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, ... | | 著者 | Fiedorczuk, K, Chen, J. | | 登録日 | 2022-09-15 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Molecular structures reveal synergistic rescue of Delta 508 CFTR by Trikafta modulators.
Science, 378, 2022
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9BC4
 | | Transglutaminase 2 - Intermediate State | | 分子名称: | CALCIUM ION, GLYCEROL, HB-225 (gluten peptidomimetic TG2 inhibitor), ... | | 著者 | Sewa, A.S, Mathews, I.I, Khosla, C. | | 登録日 | 2024-04-07 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Structural and mechanistic analysis of Ca 2+ -dependent regulation of transglutaminase 2 activity using a Ca 2+ -bound intermediate state.
Proc.Natl.Acad.Sci.USA, 121, 2024
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