PDB: 10604 件ウェブページステータス検索Chemie searchBIRD

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4O76	Crystal structure of the first bromodomain of human BRD4 in complex with TG101209 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide 著者 Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E. 登録日 2013-12-24 公開日 2014-03-05 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
4OBD	Crystal Structure of Nelfinavir-Resistant, Inactive HIV-1 Protease (D30N/N88D) in Complex with the p1-p6 substrate variant (L449F/S451N) 分子名称: 1,2-ETHANEDIOL, GLYCEROL, HIV-1 Protease, ... 著者 Kolli, M. 登録日 2014-01-07 公開日 2014-11-26 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 HIV-1 protease-substrate coevolution in nelfinavir resistance. J.Virol., 88, 2014
3GI6	Crystal structure of protease inhibitor, AD78 in complex with wild type HIV-1 protease 分子名称: (5S)-N-[(1S,2R)-2-Hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-2-oxo-3-[3-(trif luoromethyl)phenyl]-5-oxazolidinecarboxamide, PHOSPHATE ION, Protease 著者 Nalam, M.N.L, Schiffer, C.A. 登録日 2009-03-05 公開日 2010-03-09 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Evaluating the substrate-envelope hypothesis: structural analysis of novel HIV-1 protease inhibitors designed to be robust against drug resistance. J.Virol., 84, 2010
5YWC	Structure of pancreatic ATP-sensitive potassium channel bound with Mg-ADP (CTD class1 at 4.3A) 分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-binding cassette sub-family C member 8 isoform X2, ATP-sensitive inward rectifier potassium channel 11, ... 著者 Chen, L, Wu, J.X. 登録日 2017-11-29 公開日 2018-05-02 最終更新日 2018-06-13 実験手法 ELECTRON MICROSCOPY (4.3 Å) 主引用文献 Ligand binding and conformational changes of SUR1 subunit in pancreatic ATP-sensitive potassium channels. Protein Cell, 9, 2018
7FI4	Structure of AcrIF13 分子名称: AcrIF13 著者 Feng, Y, Gao, T. 登録日 2021-07-30 公開日 2022-07-06 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (3.03 Å) 主引用文献 Mechanistic insights into the inhibition of the CRISPR-Cas surveillance complex by anti-CRISPR protein AcrIF13. J.Biol.Chem., 298, 2022
3FUR	Crystal Structure of PPARg in complex with INT131 分子名称: 2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide, CHLORIDE ION, Nuclear receptor coactivator 1, ... 著者 Wang, Z, Liu, J, Walker, N. 登録日 2009-01-14 公開日 2009-06-09 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 INT131: a selective modulator of PPAR gamma. J.Mol.Biol., 386, 2009
4OBK	Crystal structure of inactive HIV-1 protease in complex with the P1-P6 substrate variant (L449F/S451N) 分子名称: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ... 著者 Kolli, M. 登録日 2014-01-07 公開日 2014-11-26 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 HIV-1 protease-substrate coevolution in nelfinavir resistance. J.Virol., 88, 2014
6DGT	Selective PI3K beta inhibitor bound to PI3K delta 分子名称: 4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-benzimidazol-6-yl]-3-fluoropyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 著者 Somoza, J, Villasenor, A, McGrath, M. 登録日 2018-05-18 公開日 2018-08-01 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.601 Å) 主引用文献 Atropisomerism by Design: Discovery of a Selective and Stable Phosphoinositide 3-Kinase (PI3K) beta Inhibitor. J. Med. Chem., 61, 2018
3FVL	Crystallogic studies on the Complex of Carboxypeptidase A with inhibitors using alpha-hydroxy ketone as zinc-binding group 分子名称: (2R)-2-benzyl-5-hydroxy-4-oxopentanoic acid, Carboxypeptidase A1, ZINC ION 著者 Wang, S.F, Jin, J.-Y, Tian, G.R. 登録日 2009-01-16 公開日 2010-01-12 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Optical 2-benzyl-5-hydroxy4oxopentanoic acids against carboxypeptidase A: Synthesis, kinetic evaluation and X-ray crystallographic study CHIN.CHEM.LETT., 21, 2010
5YW9	Structure of pancreatic ATP-sensitive potassium channel bound with ATPgammaS (class1 5.0A) 分子名称: ATP-binding cassette sub-family C member 8 isoform X2, ATP-sensitive inward rectifier potassium channel 11, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER 著者 Chen, L, Wu, J.X. 登録日 2017-11-29 公開日 2018-05-02 最終更新日 2018-06-13 実験手法 ELECTRON MICROSCOPY (5 Å) 主引用文献 Ligand binding and conformational changes of SUR1 subunit in pancreatic ATP-sensitive potassium channels. Protein Cell, 9, 2018
5YWB	Structure of pancreatic ATP-sensitive potassium channel bound with Mg-ADP (CTD class2 at 5.2A) 分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-binding cassette sub-family C member 8 isoform X2, ATP-sensitive inward rectifier potassium channel 11, ... 著者 Chen, L, Wu, J.X. 登録日 2017-11-29 公開日 2018-05-30 最終更新日 2019-11-06 実験手法 ELECTRON MICROSCOPY (5.2 Å) 主引用文献 Ligand binding and conformational changes of SUR1 subunit in pancreatic ATP-sensitive potassium channels. Protein Cell, 9, 2018
6DNE	Crystal structure of human Bromodomain-containing protein 4 (BRD4) bromodomain with MS660 分子名称: Bromodomain-containing protein 4, N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide} 著者 Ren, C, Zhou, M.M. 登録日 2018-06-06 公開日 2018-07-18 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.958 Å) 主引用文献 Spatially constrained tandem bromodomain inhibition bolsters sustained repression of BRD4 transcriptional activity for TNBC cell growth. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5ZFM	Ketoreductase LbCR mutant - M6 分子名称: 3-oxoacyl-acyl carrier protein reductase 著者 Gong, X.M, Zheng, G.W, Xu, J.H. 登録日 2018-03-06 公開日 2019-01-16 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Development of an Engineered Ketoreductase with Simultaneously Improved Thermostability and Activity for Making a Bulky Atorvastatin Precursor Acs Catalysis, 9, 2019
8FPE	Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog T0-BP 分子名称: N-[([1,1'-biphenyl]-4-yl)methyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 著者 Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Li, Y, Chen, T. 登録日 2023-01-04 公開日 2023-03-15 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein. Proc.Natl.Acad.Sci.USA, 120, 2023
5ZGU	Crystal structure of NDM-1 at pH7.0 (HEPES) with 2 molecules per asymmetric unit 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, HYDROXIDE ION, ... 著者 Zhang, H, Hao, Q. 登録日 2018-03-10 公開日 2018-08-22 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1. Antimicrob. Agents Chemother., 62, 2018
5CW6	Structure of metal dependent enzyme DrBRCC36 分子名称: DrBRCC36, ZINC ION 著者 Zeqiraj, E. 登録日 2015-07-27 公開日 2015-09-16 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (3.193 Å) 主引用文献 Higher-Order Assembly of BRCC36-KIAA0157 Is Required for DUB Activity and Biological Function. Mol.Cell, 59, 2015
5ZI0	Ketoreductase LbCR mutant - M8 分子名称: 3-oxoacyl-acyl carrier protein reductase 著者 Gong, X.M, Zheng, G.W, Xu, J.H. 登録日 2018-03-14 公開日 2019-01-16 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.302 Å) 主引用文献 Development of an Engineered Ketoreductase with Simultaneously Improved Thermostability and Activity for Making a Bulky Atorvastatin Precursor Acs Catalysis, 9, 2019
5YW8	Structure of pancreatic ATP-sensitive potassium channel bound with ATPgammaS (all particles at 4.4A) 分子名称: ATP-binding cassette sub-family C member 8 isoform X2, ATP-sensitive inward rectifier potassium channel 11, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER 著者 Chen, L, Wu, J.X. 登録日 2017-11-29 公開日 2018-05-02 最終更新日 2018-06-13 実験手法 ELECTRON MICROSCOPY (4.4 Å) 主引用文献 Ligand binding and conformational changes of SUR1 subunit in pancreatic ATP-sensitive potassium channels. Protein Cell, 9, 2018
7FH0	Crystallographic structure of two neutralizing nanobodies in complex with SARS-CoV-2 spike receptor-binding Domain (RBD) 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... 著者 Zheng, P, Jin, J. 登録日 2021-07-28 公開日 2022-08-03 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Hetero-bivalent nanobodies provide broad-spectrum protection against SARS-CoV-2 variants of concern including Omicron. Cell Res., 32, 2022
7EZT	The structure and functional mechanism of nucleotide regulated acetylhexosaminidase Am2136 from Akkermansia muciniphila 分子名称: Beta-N-acetylhexosaminidase, MAGNESIUM ION 著者 Bao, R, Li, C.C, Tang, X.Y, Zhu, Y.B, Song, Y.J, Zhao, N.L, Huang, Q, Mou, X.Y, Luo, G.H, Liu, T.G. 登録日 2021-06-02 公開日 2022-11-02 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.81 Å) 主引用文献 Nucleotide binding as an allosteric regulatory mechanism for Akkermansia muciniphila beta- N -acetylhexosaminidase Am2136. Gut Microbes, 14, 2022
7EQ2	Crystal structure of GDP-bound Rab1a-T75D 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, COBALT HEXAMMINE(III), ... 著者 Cao, Y.L, Gu, D.D, Gao, S. 登録日 2021-04-28 公開日 2022-11-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.55090284 Å) 主引用文献 Aurora kinase A-mediated phosphorylation triggers structural alteration of Rab1A to enhance ER complexity during mitosis Nat.Struct.Mol.Biol., 2024
7FIK	The cryo-EM structure of the CR subunit from X. laevis NPC 分子名称: MGC154553 protein, MGC83295 protein, MGC83926 protein, ... 著者 Shi, Y, Huang, G, Zhan, X. 登録日 2021-07-31 公開日 2022-11-09 最終更新日 2024-06-12 実験手法 ELECTRON MICROSCOPY (3.7 Å) 主引用文献 Structure of the cytoplasmic ring of the Xenopus laevis nuclear pore complex. Science, 376, 2022
5Z96	Structure of the mouse TRPC4 ion channel 分子名称: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ... 著者 Duan, J, Li, Z, Li, J, Zhang, J. 登録日 2018-02-02 公開日 2018-04-18 最終更新日 2018-08-29 実験手法 ELECTRON MICROSCOPY (3.28 Å) 主引用文献 Structure of the mouse TRPC4 ion channel. Nat Commun, 9, 2018
6QEI	CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR 5,6-Difluoro-3-(2-isopropoxy-4-piperazin-1-yl-phenyl)-1H-indole-2-carboxylic acid amide 分子名称: 1,2-ETHANEDIOL, 5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide, DIMETHYL SULFOXIDE, ... 著者 Musil, D, Heinrich, T, Lehmann, M. 登録日 2019-01-07 公開日 2019-05-01 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (MetAP-2) Inhibitors. J.Med.Chem., 62, 2019
8FO5	Structure of full-length amyloidogenic immunoglobulin light chain H9 in complex with 1-(1-(phenylsulfonyl)-1H-pyrrol-3-yl)ethan-1-one 分子名称: 1-[1-(benzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one, H9 immunoglobulin light chain, PHOSPHATE ION 著者 Yan, N.L, Wilson, I.A, Kelly, J.W. 登録日 2022-12-29 公開日 2023-05-24 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Crystal Structures of Diaryl Hydrazone and Sulfone Stabilizers in Complex with an Amyloidogenic Light Chain Reveal an Alternate Ligand-Binding Cavity Isr.J.Chem., 2023

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