PDB: 245396 件ウェブページステータス検索Chemie searchBIRD

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7QPQ	Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate 分子名称: 2-[(1-methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ... 著者 Leonard, P.M, Langgard, M. 登録日 2022-01-05 公開日 2023-04-19 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate To Be Published
7QQ4	Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate 分子名称: 5,8-dimethyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine, MAGNESIUM ION, ZINC ION, ... 著者 Leonard, P.M, Langgard, M. 登録日 2022-01-06 公開日 2023-04-19 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate To Be Published
2OX6	Crystal structure of gene product SO3848 from Shewanella oneidensis MR-1 分子名称: Hypothetical protein SO3848, MAGNESIUM ION 著者 Zhang, R, Bigelow, L, Giuliani, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) 登録日 2007-02-19 公開日 2007-04-03 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 The crystal structure of gene product SO3848 from Shewanella oneidensis MR-1 To be Published
7QPV	Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate 分子名称: 8-methyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ... 著者 Leonard, P.M, Langgard, M. 登録日 2022-01-05 公開日 2023-04-19 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate To Be Published
3ISD	Ternary complex of human DNA polymerase beta with an abasic site (THF): DAPCPP mismatch 分子名称: 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine, 5'-D(*CP*CP*GP*AP*CP*(3DR)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', ... 著者 Beard, W.A, Shock, D.D, Batra, V.K, Pedersen, L.C, Wilson, S.H. 登録日 2009-08-25 公開日 2009-09-15 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 DNA polymerase beta substrate specificity: side chain modulation of the "A-rule". J.Biol.Chem., 284, 2009
7XHE	Crystal structure of CBP bromodomain liganded with CCS151 分子名称: (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluoranyl-4-methoxy-phenyl)piperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein 著者 Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y. 登録日 2022-04-08 公開日 2022-07-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain Biochem.Biophys.Res.Commun., 623, 2022
7XI0	Crystal structure of CBP bromodomain liganded with CCS150 分子名称: (6S)-1-(3-chloranyl-4-methoxy-phenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]piperidin-2-one, CREB-binding protein, GLYCEROL 著者 Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y. 登録日 2022-04-11 公開日 2022-07-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain Biochem.Biophys.Res.Commun., 623, 2022
4OK6	Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 13 [[1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid] 分子名称: CALCIUM ION, Serine protease NS3, [1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid 著者 Padyana, A.K. 登録日 2014-01-21 公開日 2014-03-05 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus. J.Med.Chem., 57, 2014
4OIP	Crystal structure of Thermus thermophilus transcription initiation complex soaked with GE23077, ATP, and CMPcPP 分子名称: (2Z)-2-methylbut-2-enoic acid, 5'-D(*CP*CP*TP*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3', 5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G)-3', ... 著者 Zhang, Y, Ebright, R.H, Arnold, E. 登録日 2014-01-20 公開日 2014-05-07 最終更新日 2025-08-13 実験手法 X-RAY DIFFRACTION (3.4 Å) 主引用文献 GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides. Elife, 3, 2014
2ORW	Thermotoga maritima thymidine kinase 1 like enzyme in complex with TP4A 分子名称: MAGNESIUM ION, P1-(5'-ADENOSYL)P4-(5'-(2'-DEOXY-THYMIDYL))TETRAPHOSPHATE, Thymidine kinase, ... 著者 Segura-Pena, D, Lutz, S, Monnerjahn, C, Konrad, M, Lavie, A. 登録日 2007-02-04 公開日 2007-03-27 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Binding of ATP to TK1-like Enzymes Is Associated with a Conformational Change in the Quaternary Structure. J.Mol.Biol., 369, 2007
4ONY	Crystal structure of a ABC transporter, periplasmic substrate-binding protein from Brucella melitensis 分子名称: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, CHLORIDE ION, Extracellular solute-binding protein family 5, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID), Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2014-01-29 公開日 2014-06-18 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structure of a ABC transporter, periplasmic substrate-binding protein from Brucella melitensis To be Published
4OPK	Bh-RNaseH:2'-SMe-DNA complex 分子名称: 5'-D(*CP*GP*CP*GP*AP*AP*(USM)P*TP*CP*GP*CP*G)-3', GLYCEROL, Ribonuclease H 著者 Pallan, P.S, Egli, M. 登録日 2014-02-05 公開日 2015-02-11 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.539 Å) 主引用文献 Generating Crystallographic Models of DNA Dodecamers from Structures of RNase H:DNA Complexes. Methods Mol.Biol., 1320
7REL	Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-060 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide 著者 Karim, M.R, Schonbrunn, E. 登録日 2021-07-13 公開日 2021-07-21 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-060 To Be Published
4G75	Structure of PaeM, a colicin M-like bacteriocin produced by Pseudomonas aeruginosa 分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, phosphodiesterase 著者 Touze, T, Graille, M, Mengin-Lecreulx, D. 登録日 2012-07-20 公開日 2012-09-12 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Functional and Structural Characterization of PaeM, a Colicin M-like Bacteriocin Produced by Pseudomonas aeruginosa. J.Biol.Chem., 287, 2012
6D5H	Ras:SOS:Ras in complex with a small molecule activator 分子名称: 6-chloro-4-(2-chlorophenyl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, CHLORIDE ION, FORMIC ACID, ... 著者 Phan, J, Hodges, T, Fesik, S.W. 登録日 2018-04-19 公開日 2018-09-19 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS. J. Med. Chem., 61, 2018
7XHY	Crystal structure of MerTK Kinase domain with BMS794833 分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Tyrosine-protein kinase Mer, ... 著者 Kim, J.H, Lee, B.I. 登録日 2022-04-11 公開日 2022-11-30 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.16 Å) 主引用文献 BMS794833 inhibits macrophage efferocytosis by directly binding to MERTK and inhibiting its activity. Exp.Mol.Med., 54, 2022
7RNU	nSH2 domain of p85-beta subunit of phosphatidylinositol 3-kinase in complex with an actin peptide with phosphorylated tyrosine 53 分子名称: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ... 著者 Dai, S, Horton, J.R, Cheng, X. 登録日 2021-07-29 公開日 2021-08-11 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 The Functional Analysis of a Major Tyrosine Phosphorylation Site on Actin To Be Published
2PAB	STRUCTURE OF PREALBUMIN, SECONDARY, TERTIARY AND QUATERNARY INTERACTIONS DETERMINED BY FOURIER REFINEMENT AT 1.8 ANGSTROMS 分子名称: TRANSTHYRETIN PRECURSOR 著者 Oatley, S.J, Blake, C.C.F. 登録日 1977-09-16 公開日 1977-10-24 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure of prealbumin: secondary, tertiary and quaternary interactions determined by Fourier refinement at 1.8 A. J.Mol.Biol., 121, 1978
7WZU	Crystal structure of metallo-beta-lactamase IMP-6. 分子名称: Beta-lactamase, ZINC ION 著者 Yamaguchi, Y, Kurosaki, H. 登録日 2022-02-19 公開日 2023-01-04 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.954 Å) 主引用文献 Difference in the Inhibitory Effect of Thiol Compounds and Demetallation Rates from the Zn(II) Active Site of Metallo-beta-lactamases (IMP-1 and IMP-6) Associated with a Single Amino Acid Substitution. Acs Infect Dis., 9, 2023
2P7Q	Crystal structure of E126Q mutant of genomically encoded fosfomycin resistance protein, FosX, from Listeria monocytogenes complexed with MN(II) and 1S,2S-dihydroxypropylphosphonic acid 分子名称: Glyoxalase family protein, MANGANESE (II) ION, [(1S,2S)-1,2-DIHYDROXYPROPYL]PHOSPHONIC ACID 著者 Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N. 登録日 2007-03-20 公開日 2007-07-17 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structure and Mechanism of the Genomically Encoded Fosfomycin Resistance Protein, FosX, from Listeria monocytogenes. Biochemistry, 46, 2007
6D5J	Ras:SOS:Ras in complex with a small molecule activator 分子名称: 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ... 著者 Phan, J, Hodges, T, Fesik, S.W. 登録日 2018-04-19 公開日 2018-09-19 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.751 Å) 主引用文献 Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS. J. Med. Chem., 61, 2018
7RCM	Crystal Structure of ADP-bound Galactokinase 分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Galactokinase, ... 著者 Whitby, F.G. 登録日 2021-07-07 公開日 2021-09-29 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors. J.Med.Chem., 64, 2021
6DB0	N-Terminal bromodomain of Human BRD2 with a Tetrahydroquinoline analogue 分子名称: 1,2-ETHANEDIOL, 1-[(2S,4R)-4-[(2-chlorophenyl)amino]-2-methyl-6-(1H-pyrazol-3-yl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 White, S.W, Yun, M. 登録日 2018-05-02 公開日 2019-11-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 N-Terminal bromodomain of Human BRD2 with a Tetrahydroquinoline analogue To Be Published
7RQ8	Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with iboxamycin, mRNA, deacylated A- and E-site tRNAs, and aminoacylated P-site tRNA at 2.50A resolution 分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... 著者 Mitcheltree, M.J, Pisipati, A, Syroegin, E.A, Silvestre, K.J, Klepacki, D, Mason, J.D, Terwilliger, D.W, Testolin, G, Pote, A.R, Wu, K.J.Y, Ladley, R.P, Chatman, K, Mankin, A.S, Polikanov, Y.S, Myers, A.G. 登録日 2021-08-06 公開日 2021-10-13 最終更新日 2025-03-19 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 A synthetic antibiotic class overcoming bacterial multidrug resistance. Nature, 599, 2021
6DFJ	Crystal structure of anti-Zika antibody Z021 bound to DENV-1 envelope protein DIII 分子名称: Dengue 1 Envelope DIII domain, anti-Zika antibody Z021, Heavy Chain, ... 著者 Keeffe, J.R, Bjorkman, P.J. 登録日 2018-05-14 公開日 2018-10-24 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 A Combination of Two Human Monoclonal Antibodies Prevents Zika Virus Escape Mutations in Non-human Primates. Cell Rep, 25, 2018

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