PDB: 13258 件ウェブページステータス検索Chemie searchBIRD

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5E8R	Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae) 分子名称: CHLORIDE ION, N-methyl-N-({4-[4-(propan-2-yloxy)phenyl]-1H-pyrrol-3-yl}methyl)ethane-1,2-diamine, Protein arginine N-methyltransferase 6, ... 著者 DONG, A, ZENG, H, LIU, J, TEMPEL, W, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, JIN, J, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) 登録日 2015-10-14 公開日 2015-12-09 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 A Potent, Selective, and Cell-Active Inhibitor of Human Type I Protein Arginine Methyltransferases. Acs Chem.Biol., 11, 2016
6YPY	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-123 分子名称: 14-3-3 protein sigma, 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzaldehyde, p65pS45 著者 Wolter, M, Ottmann, C. 登録日 2020-04-16 公開日 2020-09-23 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering. Angew.Chem.Int.Ed.Engl., 59, 2020
7KDZ	Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to TP-238 分子名称: 1,2-ETHANEDIOL, 6-{4-[3-(dimethylamino)propoxy]phenyl}-2-(methylsulfonyl)-N-[3-(1H-pyrazol-1-yl)propyl]pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF 著者 Chan, A, Schonbrunn, E. 登録日 2020-10-09 公開日 2020-12-09 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 New inhibitors for the BPTF bromodomain enabled by structural biology and biophysical assay development Organic & Biomolecular Chemistry, 18(27), 2020
6YQ2	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-129 分子名称: 14-3-3 protein sigma, 4-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde, p65pS45 著者 Wolter, M, Ottmann, C. 登録日 2020-04-16 公開日 2020-09-23 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering. Angew.Chem.Int.Ed.Engl., 59, 2020
3TIZ	CDK2 in complex with NSC 111848 分子名称: 1,2-ETHANEDIOL, 1-{(E)-[(4-hydroxyphenyl)imino]methyl}naphthalen-2-ol, Cyclin-dependent kinase 2 著者 Alam, R, Schonbrunn, E. 登録日 2011-08-22 公開日 2012-08-22 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2. Chembiochem, 13, 2012
3I4B	Crystal structure of GSK3b in complex with a pyrimidylpyrrole inhibitor 分子名称: Glycogen synthase kinase-3 beta, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide 著者 Ter Haar, E. 登録日 2009-07-01 公開日 2010-01-12 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control. J.Med.Chem., 52, 2009
6G8J	14-3-3sigma in complex with a A130beta3A mutated YAP pS127 phosphopeptide 分子名称: 14-3-3 protein sigma, ACE-ARG-ALA-HIS-SEP-SER-PRO-BAL-SER-LEU-GLN, CHLORIDE ION, ... 著者 Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G. 登録日 2018-04-09 公開日 2019-04-17 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins. Chem.Commun.(Camb.), 55, 2019
3TVD	Crystal Structure of Mouse RhoA-GTP complex 分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA 著者 Swaminathan, K, Pal, K, Jobichen, C. 登録日 2011-09-20 公開日 2012-10-10 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.989 Å) 主引用文献 Crystal structure of mouse RhoA:GTPgammaS complex in a centered lattice. J.Struct.Funct.Genom., 13, 2012
7LQY	Structure of squirrel TRPV1 in apo state 分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoinositol, CHLORIDE ION, ... 著者 Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. 登録日 2021-02-15 公開日 2021-04-21 最終更新日 2024-03-06 実験手法 ELECTRON MICROSCOPY (3.19 Å) 主引用文献 Extracellular cap domain is an essential component of the TRPV1 gating mechanism. Nat Commun, 12, 2021
7L9Y	Human PARP14 (ARTD8), catalytic fragment in complex with RBN012042 分子名称: 1,2-ETHANEDIOL, 7-(cyclopentylamino)-5-fluoro-2-{[(piperidin-4-yl)sulfanyl]methyl}quinazolin-4(3H)-one, CHLORIDE ION, ... 著者 Dorsey, B.W, Swinger, K.K, Schenkel, L.B, Church, W.D, Perl, N.R, Vasbinder, M.M, Wigle, T.J, Kuntz, K.W. 登録日 2021-01-05 公開日 2021-04-21 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Targeted Degradation of PARP14 Using a Heterobifunctional Small Molecule. Chembiochem, 22, 2021
7LUN	Human PARP14 (ARTD8), catalytic fragment in complex with RBN011980 分子名称: 7-(cyclopentylamino)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one, CHLORIDE ION, GLYCEROL, ... 著者 Dorsey, B.W, Swinger, K.K, Schenkel, L.B, Church, W.D, Perl, N.R, Vasbinder, M.M, Wigle, T.J, Kuntz, K.W. 登録日 2021-02-22 公開日 2021-04-21 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.57 Å) 主引用文献 Targeted Degradation of PARP14 Using a Heterobifunctional Small Molecule. Chembiochem, 22, 2021
7LR0	Structure of squirrel TRPV1 in complex with capsaicin 分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide, Osm-9-like TRP channel 1, ... 著者 Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. 登録日 2021-02-15 公開日 2021-04-21 最終更新日 2024-03-06 実験手法 ELECTRON MICROSCOPY (3.81 Å) 主引用文献 Extracellular cap domain is an essential component of the TRPV1 gating mechanism. Nat Commun, 12, 2021
7LQZ	Structure of squirrel TRPV1 in complex with RTX 分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Osm-9-like TRP channel 1, SODIUM ION, ... 著者 Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. 登録日 2021-02-15 公開日 2021-04-21 最終更新日 2024-03-06 実験手法 ELECTRON MICROSCOPY (3.41 Å) 主引用文献 Extracellular cap domain is an essential component of the TRPV1 gating mechanism. Nat Commun, 12, 2021
8J1N	Structure of human UCP1 in the DNP-bound state 分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2,4-DINITROPHENOL, CARDIOLIPIN, ... 著者 Chen, L, Kang, Y. 登録日 2023-04-13 公開日 2023-06-21 最終更新日 2023-08-30 実験手法 ELECTRON MICROSCOPY (2.51 Å) 主引用文献 Structural basis for the binding of DNP and purine nucleotides onto UCP1. Nature, 620, 2023
6GUB	CDK2/CyclinA in complex with Flavopiridol 分子名称: 2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one, Cyclin-A2, Cyclin-dependent kinase 2 著者 Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. 登録日 2018-06-19 公開日 2018-12-05 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.52 Å) 主引用文献 Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
3NKX	Impaired binding of 14-3-3 to Raf1 is linked to Noonan and LEOPARD syndrome 分子名称: 14-3-3 protein zeta/delta, PROPANOIC ACID, Peptide of RAF proto-oncogene serine/threonine-protein kinase 著者 Schumacher, B, Weyand, M, Ottmann, C. 登録日 2010-06-21 公開日 2010-09-15 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Impaired binding of 14-3-3 to C-RAF in Noonan syndrome suggests new approaches in diseases with increased Ras signaling Mol.Cell.Biol., 30, 2010
6ZCJ	14-3-3sigma in complex with SLP76pS376 phosphopeptide crystal structure 分子名称: 14-3-3 protein sigma, MAGNESIUM ION, SLP76pS376 著者 Soini, L, Leysen, S, Davis, J, Ottmann, C. 登録日 2020-06-11 公開日 2020-12-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 The 14-3-3/SLP76 protein-protein interaction in T-cell receptor signalling: a structural and biophysical characterization. Febs Lett., 595, 2021
8IY6	ETB-Gi complex bound to Endotheline-1, focused on receptor 分子名称: Endothelin type B receptor, Endothelin-1 著者 Sano, F.K, Akasaka, H, Shihoya, W, Nureki, O. 登録日 2023-04-04 公開日 2023-08-16 最終更新日 2023-12-06 実験手法 ELECTRON MICROSCOPY (3.13 Å) 主引用文献 Cryo-EM structure of the endothelin-1-ET B -G i complex. Elife, 12, 2023
5FCW	HDAC8 Complexed with a Hydroxamic Acid 分子名称: 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide, GLYCEROL, HEXAETHYLENE GLYCOL, ... 著者 Cole, K.E, Perry, K. 登録日 2015-12-15 公開日 2016-10-26 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.979 Å) 主引用文献 Structure of 'linkerless' hydroxamic acid inhibitor-HDAC8 complex confirms the formation of an isoform-specific subpocket. J.Struct.Biol., 195, 2016
8IY5	ETB-Gi complex bound to endothelin-1 分子名称: Endothelin type B receptor, Endothelin-1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... 著者 Sano, F.K, Akasaka, H, Shihoya, W, Nureki, O. 登録日 2023-04-04 公開日 2023-08-16 最終更新日 2023-12-06 実験手法 ELECTRON MICROSCOPY (2.8 Å) 主引用文献 Cryo-EM structure of the endothelin-1-ET B -G i complex. Elife, 12, 2023
5FH2	The structure of rat cytosolic PEPCK variant E89Q in complex with GTP 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ... 著者 Johnson, T.A, Holyoak, T. 登録日 2015-12-21 公開日 2016-11-09 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Utilization of Substrate Intrinsic Binding Energy for Conformational Change and Catalytic Function in Phosphoenolpyruvate Carboxykinase. Biochemistry, 55, 2016
6FU1	Crystal structure of Schistosoma mansoni HDAC8 complexed with a n-alkyl hydroxamate 分子名称: GLYCEROL, Histone deacetylase, POTASSIUM ION, ... 著者 Marek, M, Shaik, T.B, Romier, C. 登録日 2018-02-26 公開日 2019-03-13 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.548 Å) 主引用文献 A Novel Class of Schistosoma mansoni Histone Deacetylase 8 (HDAC8) Inhibitors Identified by Structure-Based Virtual Screening and In Vitro Testing. Molecules, 23, 2018
5FRF	Solution structure of reduced and zinc-bound RsrA 分子名称: ANTI-SIGMA FACTOR RSRA, ZINC ION 著者 Zdanowski, K, Pecqueur, L, Werner, J, Potts, J.R, Kleanthous, C. 登録日 2015-12-17 公開日 2016-08-03 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 The Anti-Sigma Factor Rsra Responds to Oxidative Stress by Reburying its Hydrophobic Core. Nat.Commun., 7, 2016
5FH3	The structure of rat cytosolic PEPCK variant E89A in complex with oxalic acid and GTP 分子名称: GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, OXALATE ION, ... 著者 Johnson, T.A, Holyoak, T. 登録日 2015-12-21 公開日 2016-11-09 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Utilization of Substrate Intrinsic Binding Energy for Conformational Change and Catalytic Function in Phosphoenolpyruvate Carboxykinase. Biochemistry, 55, 2016
8IVU	Crystal Structure of Human NAMPT in complex with A4276 分子名称: N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION 著者 Kang, B.G, Cha, S.S. 登録日 2023-03-28 公開日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.09000921 Å) 主引用文献 Discovery of a novel NAMPT inhibitor that selectively targets NAPRT-deficient EMT-subtype cancer cells and alleviates chemotherapy-induced peripheral neuropathy. Theranostics, 13, 2023

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