6G9R
 
 | |
8UQX
 | | Round 18 Arylesterase Variant of Apo-Phosphotriesterase Measured at 9.5 keV | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphotriesterase variant PTE-R18 | | 著者 | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | | 登録日 | 2023-10-25 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
|
|
8V6V
 | | Cryo-EM structure of doubly-bound SNF2h-nucleosome complex | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Histone H2A type 1, Histone H2B, ... | | 著者 | Chio, U.S, Palovcak, E, Armache, J.P, Narlikar, G.J, Cheng, Y. | | 登録日 | 2023-12-03 | | 公開日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Functionalized graphene-oxide grids enable high-resolution cryo-EM structures of the SNF2h-nucleosome complex without crosslinking.
Nat Commun, 15, 2024
|
|
8V6O
 | | Inactivated-state cryo-EM structure of human TRPV3 in presence of 2-APB in cNW30 nanodiscs | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-aminoethyl diphenylborinate, SODIUM ION, ... | | 著者 | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | 登録日 | 2023-12-01 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (2.83 Å) | | 主引用文献 | TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site.
Sci Adv, 10, 2024
|
|
8V6L
 | | Open-state cryo-EM structure of human TRPV3 in presence of tetrahydrocannabivarin (THCV) in cNW30 nanodiscs | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Tetrahydrocannabivarin, ... | | 著者 | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | 登録日 | 2023-12-01 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (3.68 Å) | | 主引用文献 | TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site.
Sci Adv, 10, 2024
|
|
8V6M
 | | Inactivated-state cryo-EM structure of human TRPV3 in presence of tetrahydrocannabivarin (THCV) in cNW30 nanodiscs | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Tetrahydrocannabivarin, ... | | 著者 | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | 登録日 | 2023-12-01 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (3.63 Å) | | 主引用文献 | TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site.
Sci Adv, 10, 2024
|
|
8V8H
 | | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 4). | | 分子名称: | (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, 2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | 著者 | Gunn, R.J, Lawson, J.D. | | 登録日 | 2023-12-05 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (3.58 Å) | | 主引用文献 | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
|
|
8UQY
 | | Round 18 Arylesterase Variant of Phosphotriesterase Bound to Europium(III) Measured at 9.5 keV | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, EUROPIUM (III) ION, ... | | 著者 | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | | 登録日 | 2023-10-25 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
|
|
4KR3
 | | Glycyl-tRNA synthetase mutant E71G in complex with tRNA-Gly | | 分子名称: | GLYCINE, Gly-tRNA-CCC, Glycine--tRNA ligase, ... | | 著者 | Qin, X, Hao, Z, Tian, Q, Zhang, Z, Zhou, C, Xie, W. | | 登録日 | 2013-05-16 | | 公開日 | 2014-05-21 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (3.235 Å) | | 主引用文献 | Cocrystal Structures of Glycyl-tRNA Synthetase in Complex with tRNA Suggest Multiple Conformational States in Glycylation
J.Biol.Chem., 289, 2014
|
|
8V4Y
 | | Cryo-EM structure of singly-bound SNF2h-nucleosome complex with SNF2h at inactive SHL2 (conformation 1) | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Histone H2A type 1, ... | | 著者 | Chio, U.S, Palovcak, E, Armache, J.P, Narlikar, G.J, Cheng, Y. | | 登録日 | 2023-11-29 | | 公開日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Functionalized graphene-oxide grids enable high-resolution cryo-EM structures of the SNF2h-nucleosome complex without crosslinking.
Nat Commun, 15, 2024
|
|
4KTK
 | |
6G5S
 | | Solution structure of the TPR domain of the cell division coordinator, CpoB | | 分子名称: | Cell division coordinator CpoB | | 著者 | Simorre, J.P, Maya Martinez, R.C, Bougault, C, Vollmer, W, Egan, A. | | 登録日 | 2018-03-29 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Induced conformational changes activate the peptidoglycan synthase PBP1B.
Mol. Microbiol., 110, 2018
|
|
6G02
 | | Complex of neuraminidase from H1N1 influenza virus with tamiphosphor omega-azidohexyl ester | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[[(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-oxidanyl-phosphoryl]oxyhexylimino-azanylidene-azanium, ... | | 著者 | Pachl, P, Pokorna, J. | | 登録日 | 2018-03-15 | | 公開日 | 2019-01-23 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | DNA-linked inhibitor antibody assay (DIANA) as a new method for screening influenza neuraminidase inhibitors.
Biochem. J., 475, 2018
|
|
8V8I
 | | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket (compound 5). | | 分子名称: | (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, CHLORIDE ION, N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide, ... | | 著者 | Gunn, R.J, Lawson, J.D. | | 登録日 | 2023-12-05 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
|
|
4K0A
 | |
8V8V
 | | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 7). | | 分子名称: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, 2-[[(1~{R})-1-(7-methyl-4-oxidanylidene-2-piperidin-1-yl-3~{H}-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | 著者 | Gunn, R.J, Lawson, J.D. | | 登録日 | 2023-12-06 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
|
|
6GDR
 | | DNA binding with a minimal scaffold: Structure-function analysis of Lig E DNA ligases | | 分子名称: | ADENOSINE MONOPHOSPHATE, DNA, DNA (5'-D(*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3'), ... | | 著者 | Williamson, A, Grigic, M, Leiros, H.K.S. | | 登録日 | 2018-04-24 | | 公開日 | 2018-07-25 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | DNA binding with a minimal scaffold: structure-function analysis of Lig E DNA ligases.
Nucleic Acids Res., 46, 2018
|
|
8V8U
 | | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 12). | | 分子名称: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, (3S)-9-[(1R)-1-(2-carboxyanilino)ethyl]-3-cyano-7-methyl-4-oxo-2-(piperidin-1-yl)-3,4-dihydropyrido[1,2-a]pyrimidin-5-ium, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | 著者 | Gunn, R.J, Lawson, J.D. | | 登録日 | 2023-12-06 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | | 主引用文献 | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
|
|
4K2S
 | | Crystal structure of the mutant P317A of d-mannonate dehydratase from chromohalobacter salexigens complexed with mg and d-gluconate | | 分子名称: | CHLORIDE ION, D-gluconic acid, D-mannonate dehydratase, ... | | 著者 | Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C. | | 登録日 | 2013-04-09 | | 公開日 | 2014-04-09 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.699 Å) | | 主引用文献 | Crystal structure of the mutant P317A of d-mannonate dehydratase from chromohalobacter salexigens complexed with mg and d-gluconate
To be Published
|
|
8V7L
 | | Cryo-EM structure of singly-bound SNF2h-nucleosome complex with SNF2h at inactive SHL2 (conformation 2) | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Histone H2A type 1, Histone H2B, ... | | 著者 | Chio, U.S, Palovcak, E, Armache, J.P, Narlikar, G.J, Cheng, Y. | | 登録日 | 2023-12-04 | | 公開日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Functionalized graphene-oxide grids enable high-resolution cryo-EM structures of the SNF2h-nucleosome complex without crosslinking.
Nat Commun, 15, 2024
|
|
4KR2
 | | Glycyl-tRNA synthetase in complex with tRNA-Gly | | 分子名称: | ADENOSINE MONOPHOSPHATE, Gly-tRNA-CCC, Glycine--tRNA ligase | | 著者 | Qin, X, Hao, Z, Tian, Q, Zhang, Z, Zhou, C, Xie, W. | | 登録日 | 2013-05-16 | | 公開日 | 2014-05-21 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.292 Å) | | 主引用文献 | Cocrystal Structures of Glycyl-tRNA Synthetase in Complex with tRNA Suggest Multiple Conformational States in Glycylation
J.Biol.Chem., 289, 2014
|
|
8V8J
 | | PI3Ka H1047R co-crystal structure with inhibitors in two cryptic pockets (compounds 4 and 5). | | 分子名称: | (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, 2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid, N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide, ... | | 著者 | Gunn, R.J, Lawson, J.D. | | 登録日 | 2023-12-05 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | | 主引用文献 | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
|
|
6GC1
 | | Crystal structure of Trx-like and NHL repeat containing domains of human NHLRC2 | | 分子名称: | NHL repeat-containing protein 2 | | 著者 | Biterova, E, Uusimaa, J, Hinttala, R, Ruddock, L.W. | | 登録日 | 2018-04-16 | | 公開日 | 2018-09-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural analysis of human NHLRC2, mutations of which are associated with FINCA disease.
PLoS ONE, 13, 2018
|
|
6G3B
 | | AvaII restriction endonuclease in complex with an RNA/DNA hybrid | | 分子名称: | DNA (5'-D(*CP*CP*AP*TP*GP*GP*TP*CP*CP*TP*A)-3'), RNA (5'-R(P*GP*UP*AP*GP*GP*AP*CP*CP*AP*UP*G)-3'), Type II site-specific deoxyribonuclease | | 著者 | Kisiala, M, Kowalska, M, Czapinska, H, Bochtler, M. | | 登録日 | 2018-03-24 | | 公開日 | 2019-04-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Restriction endonucleases that cleave RNA/DNA heteroduplexes bind dsDNA in A-like conformation
Nucleic Acids Res., 2020
|
|
4K7L
 | | Crystal structure of RNase S variant (K7C/Q11C) | | 分子名称: | Ribonuclease pancreatic, SULFATE ION | | 著者 | Genz, M, Straeter, N. | | 登録日 | 2013-04-17 | | 公開日 | 2014-05-14 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Crystal structure of RNase S with a [Hg(Cys2)] metal center in the S-peptide as a template for structure-based design of artificial metalloenzymes using peptide-protein complementation
To be Published
|
|
