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

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7YK2	Cryo-EM structure of Apo-alpha-syn fibril 分子名称: Alpha-synuclein 著者 Xu, Q.H, Xia, W.C, Tao, Y.Q, Liu, C. 登録日 2022-07-21 公開日 2023-03-22 最終更新日 2024-05-08 実験手法 ELECTRON MICROSCOPY (2.8 Å) 主引用文献 Conformational Dynamics of an alpha-Synuclein Fibril upon Receptor Binding Revealed by Insensitive Nuclei Enhanced by Polarization Transfer-Based Solid-State Nuclear Magnetic Resonance and Cryo-Electron Microscopy. J.Am.Chem.Soc., 145, 2023
7YK8	Cryo-EM structure of dLAG3-alpha-syn fibril 分子名称: Alpha-synuclein 著者 Xu, Q.H, Xia, W.C, Tao, Y.Q, Liu, C. 登録日 2022-07-22 公開日 2023-03-22 最終更新日 2024-05-08 実験手法 ELECTRON MICROSCOPY (2.8 Å) 主引用文献 Conformational Dynamics of an alpha-Synuclein Fibril upon Receptor Binding Revealed by Insensitive Nuclei Enhanced by Polarization Transfer-Based Solid-State Nuclear Magnetic Resonance and Cryo-Electron Microscopy. J.Am.Chem.Soc., 145, 2023
4XF2	Tetragonal structure of Arp2/3 complex 分子名称: Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, Actin-related protein 2/3 complex subunit 2, ... 著者 Jurgenson, C.T, Pollard, T.P. 登録日 2014-12-25 公開日 2015-11-18 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (5 Å) 主引用文献 Crystals of the Arp2/3 complex in two new space groups with structural information about actin-related protein 2 and potential WASP binding sites. Acta Crystallogr.,Sect.F, 71, 2015
4XKI	Human Fibroblast Growth Factor - 1 (FGF-1) mutant S116R 分子名称: Fibroblast growth factor 1, GLYCEROL, NONAETHYLENE GLYCOL, ... 著者 Xia, X. 登録日 2015-01-12 公開日 2016-01-20 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Biophysical characterizations of Fibroblast Growth Factor - 1 mutant with increased heparin binding affinity To Be Published
4ORA	Crystal structure of a human calcineurin mutant 分子名称: CALCIUM ION, Calcineurin subunit B type 1, FE (III) ION, ... 著者 Li, S.J, Wang, J, Wu, J.W, Wang, Z.X. 登録日 2014-02-11 公開日 2015-05-20 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.747 Å) 主引用文献 Cooperative autoinhibition and multi-level activation mechanisms of calcineurin To be Published
6ODC	Crystal structure of HDAC8 in complex with compound 30 分子名称: (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide, 1,2-ETHANEDIOL, Histone deacetylase 8, ... 著者 Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. 登録日 2019-03-26 公開日 2020-04-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
6ODA	Crystal structure of HDAC8 in complex with compound 2 分子名称: Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, POTASSIUM ION, ... 著者 Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. 登録日 2019-03-26 公開日 2020-04-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.88 Å) 主引用文献 Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
5BPU	Crystal structure of Norrin, a Wnt signalling activator, Crystal Form I 分子名称: (GGL)EEE, (GGL)EEEEEE, Norrin 著者 Chang, T.-H, Hsieh, F.-L, Harlos, K, Jones, E.Y. 登録日 2015-05-28 公開日 2015-07-01 最終更新日 2019-07-10 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structure and functional properties of Norrin mimic Wnt for signalling with Frizzled4, Lrp5/6, and proteoglycan. Elife, 4, 2015
4Y30	Crystal structure of human protein arginine methyltransferase PRMT6 bound to SAH and EPZ020411 分子名称: GLYCEROL, MAGNESIUM ION, N,N'-dimethyl-N-({3-[4-({trans-3-[2-(tetrahydro-2H-pyran-4-yl)ethoxy]cyclobutyl}oxy)phenyl]-1H-pyrazol-4-yl}methyl)ethane-1,2-diamine, ... 著者 Swinger, K.K, Boriack-Sjodin, P.A. 登録日 2015-02-10 公開日 2015-04-22 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Aryl Pyrazoles as Potent Inhibitors of Arginine Methyltransferases: Identification of the First PRMT6 Tool Compound. Acs Med.Chem.Lett., 6, 2015
5OK9	CH1 chimera of human 14-3-3 sigma with the HSPB6 phosphopeptide in a conformation with swapped phosphopeptides 分子名称: 14-3-3 protein sigma,Heat shock protein beta-6, DI(HYDROXYETHYL)ETHER 著者 Sluchanko, N.N, Tugaeva, K.V, Greive, S.J, Antson, A.A. 登録日 2017-07-25 公開日 2017-10-11 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Chimeric 14-3-3 proteins for unraveling interactions with intrinsically disordered partners. Sci Rep, 7, 2017
5BQB	Crystal structure of Norrin, a Wnt signalling activator, Crystal Form III 分子名称: CHLORIDE ION, CITRIC ACID, Norrin 著者 Chang, T.-H, Hsieh, F.-L, Harlos, K, Jones, E.Y. 登録日 2015-05-28 公開日 2015-07-01 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure and functional properties of Norrin mimic Wnt for signalling with Frizzled4, Lrp5/6, and proteoglycan. Elife, 4, 2015
7S6H	Human PARP1 deltaV687-E688 bound to NAD+ analog EB-47 and to a DNA double strand break. 分子名称: 1,2-ETHANEDIOL, 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, DNA (5'-D(*CP*GP*AP*CP*G)-3'), ... 著者 Rouleau-Turcotte, E, Pascal, J.M. 登録日 2021-09-14 公開日 2022-06-29 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery. Mol.Cell, 82, 2022
7S81	Structure of human PARP1 domains (Zn1, Zn3, WGR, HD) bound to a DNA double strand break. 分子名称: DNA (5'-D(*AP*TP*GP*CP*GP*GP*CP*CP*GP*CP*AP*T)-3'), Poly [ADP-ribose] polymerase 1, ZINC ION 著者 Rouleau-Turcotte, E, Pascal, J.M. 登録日 2021-09-17 公開日 2022-06-29 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.6 Å) 主引用文献 Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery. Mol.Cell, 82, 2022
7RWN	Crystal Structure of BPTF bromodomain in complex with 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one 分子名称: 1,2-ETHANEDIOL, 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF 著者 Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. 登録日 2021-08-20 公開日 2022-08-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
7RWE	Crystal structure of CDK2 liganded with compound GPHR787 分子名称: 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid, Cyclin-dependent kinase 2 著者 Sun, L, Schonbrunn, E. 登録日 2021-08-19 公開日 2022-08-24 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice. J.Med.Chem., 66, 2023
7S6M	Human PARP1 deltaV687-E688 bound to a DNA double strand break. 分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*CP*G)-3'), ... 著者 Rouleau-Turcotte, E, Pascal, J.M. 登録日 2021-09-14 公開日 2022-06-29 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery. Mol.Cell, 82, 2022
4ORB	Crystal structure of mouse calcineurin 分子名称: CALCIUM ION, Calcineurin subunit B type 1, FE (III) ION, ... 著者 Ma, L, Li, S.J, Wang, J, Wu, J.W, Wang, Z.X. 登録日 2014-02-11 公開日 2015-05-20 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (3.108 Å) 主引用文献 Cooperative autoinhibition and multi-level activation mechanisms of calcineurin To be Published
7RWF	Crystal structure of CDK2 in complex with TW8672 分子名称: 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, Cyclin-dependent kinase 2 著者 Sun, L, Schonbrunn, E. 登録日 2021-08-19 公開日 2022-08-24 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding. Nat Commun, 14, 2023
4ORC	Crystal structure of mammalian calcineurin 分子名称: CALCIUM ION, Calcineurin subunit B type 1, FE (III) ION, ... 著者 Ma, L, Li, S.J, Wang, J, Wu, J.W, Wang, Z.X. 登録日 2014-02-11 公開日 2015-05-20 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Cooperative autoinhibition and multi-level activation mechanisms of calcineurin To be Published
7RWP	Crystal Structure of BPTF bromodomain in complex with 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one 分子名称: 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one, CALCIUM ION, Nucleosome-remodeling factor subunit BPTF 著者 Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. 登録日 2021-08-20 公開日 2022-08-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
7RWQ	Crystal Structure of BPTF bromodomain in complex with 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one 分子名称: 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one, CALCIUM ION, Nucleosome-remodeling factor subunit BPTF 著者 Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. 登録日 2021-08-20 公開日 2022-08-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
7RWO	Crystal Structure of BPTF bromodomain in complex with 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one 分子名称: 1,2-ETHANEDIOL, 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF 著者 Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. 登録日 2021-08-20 公開日 2022-08-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
7RXO	Crystal structure of CDK2 liganded with compound WN333 分子名称: 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(methoxycarbonyl)benzoic acid, Cyclin-dependent kinase 2 著者 Sun, L, Schonbrunn, E. 登録日 2021-08-23 公開日 2022-08-31 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice. J.Med.Chem., 66, 2023
5BRO	Crystal structure of modified HexB (modB) 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase subunit beta, FORMIC ACID, ... 著者 Kitakaze, K, Maita, N, Itoh, K. 登録日 2015-06-01 公開日 2016-05-04 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Protease-resistant modified human beta-hexosaminidase B ameliorates symptoms in GM2 gangliosidosis model. J.Clin.Invest., 126, 2016
7S4T	Crystal structure of CDK2 liganded with compound EF2252 分子名称: 1,2-ETHANEDIOL, 2-{[2-(6-chloro-1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, Cyclin-dependent kinase 2 著者 Sun, L, Schonbrunn, E. 登録日 2021-09-09 公開日 2022-09-21 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice. J.Med.Chem., 66, 2023

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