PDB: 30867 件ウェブページステータス検索Chemie searchBIRD

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7Q6W	Crystal structure of the bromodomain of ATAD2 with triazolopyridazine (cpd 22) 分子名称: (1R,9S)-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION 著者 Patel, S.J, Winter-Holt, J.J. 登録日 2021-11-09 公開日 2022-01-19 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models. J.Med.Chem., 65, 2022
5UNA	Fragment of 7SK snRNA methylphosphate capping enzyme 分子名称: 7SK snRNA methylphosphate capping enzyme, S-ADENOSYL-L-HOMOCYSTEINE, unidentified peptide section/fragment 著者 Wu, H, Tempel, W, Dombrovski, L, McCarthy, A.A, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC) 登録日 2017-01-30 公開日 2017-03-08 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Fragment of 7SK snRNA methylphosphate capping enzyme To Be Published
6PU3	ABC transporter-associated periplasmic binding protein DppA from Helicobacter pylori 分子名称: Heme-binding protein A, SER-THR-SER-ALA 著者 Rahman, M.M, Machuca, M.A, Khan, M.F, Barlow, C.K, Schittenhelm, R.B, Roujeinikova, A. 登録日 2019-07-16 公開日 2019-08-21 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Molecular Basis of Unexpected Specificity of ABC Transporter-Associated Substrate-Binding Protein DppA from Helicobacter pylori. J.Bacteriol., 201, 2019
8AOA	Covalent and non-covalent inhibitor of ERK2 (two sites) 分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2022-10-05 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
6JO1	Structure of the CYP102A1 Haem Domain with N-(S)-Ibuprofenoyl-L-Phenylalanine 分子名称: (2S)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... 著者 Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. 登録日 2019-03-19 公開日 2020-03-18 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020
6F37	Fusion protein of RSL and trimeric coiled coil 分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Nano3,Fucose-binding lectin protein, beta-D-mannopyranose 著者 Wronska, M.A, Rennie, M.L, Crowley, P.B. 登録日 2017-11-28 公開日 2018-12-12 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Fusion protein of RSL and trimeric coiled coil To Be Published
8ST7	Structure of E3 ligase VsHECT bound to ubiquitin 分子名称: E3 ubiquitin-protein ligase SopA-like catalytic domain-containing protein, Ubiquitin, prop-2-en-1-amine 著者 Franklin, T.G, Pruneda, J.N. 登録日 2023-05-09 公開日 2023-07-12 最終更新日 2024-01-03 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Bacterial ligases reveal fundamental principles of polyubiquitin specificity. Mol.Cell, 83, 2023
6C9L	MEF2B Apo Protein Structure 分子名称: Myocyte-specific enhancer factor 2B 著者 Lei, X, Chen, L. 登録日 2018-01-26 公開日 2018-02-07 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal Structure of Apo MEF2B Reveals New Insights in DNA Binding and Cofactor Interaction. Biochemistry, 57, 2018
6YKO	Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11a 分子名称: 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... 著者 Pang, L, Strelkov, S.V, Weeks, S.D. 登録日 2020-04-06 公開日 2020-12-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors. Eur.J.Med.Chem., 211, 2021
6Q7U	Crystal structure of PqsR (MvfR) ligand-binding domain in complex with HHQ 分子名称: 2-heptyl-1~{H}-quinolin-4-one, Transcriptional regulator MvfR 著者 Witzgall, F, Xu, N, Blankenfeldt, W. 登録日 2018-12-13 公開日 2019-11-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (3.14 Å) 主引用文献 Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence. Chemmedchem, 15, 2020
8AOI	Specific covalent inhibitor(19) of ERK2 分子名称: 1,2-ETHANEDIOL, 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one, Mitogen-activated protein kinase 1, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2022-10-05 実験手法 X-RAY DIFFRACTION (1.602 Å) 主引用文献 X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
6FE5	X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a inhibitor JHU 2249 分子名称: (2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Barinka, C, Novakova, Z, Motlova, L. 登録日 2017-12-29 公開日 2019-01-30 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors. Bioorg.Med.Chem., 27, 2019
5UO0	Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile 分子名称: 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2017-01-31 公開日 2017-05-03 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
6YKY	Biochemical, Cellular and Structural Characterization of Novel ERK3 Inhibitors 分子名称: 3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine, Mitogen-activated protein kinase 6 著者 Graedler, U. 登録日 2020-04-06 公開日 2020-09-23 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.52 Å) 主引用文献 Biochemical, cellular and structural characterization of novel and selective ERK3 inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
7KRW	Stimulating state of near full-length Hsp70 DnaK fused with a substrate peptide 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK fused with substrate peptide 著者 Wang, W, Hendrickson, W.A. 登録日 2020-11-20 公開日 2021-09-15 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (7.7 Å) 主引用文献 Conformational equilibria in allosteric control of Hsp70 chaperones. Mol.Cell, 81, 2021
6PUE	Structure of human MAIT A-F7 TCR in complex with human MR1-4'D-5-OP-RU 分子名称: 1,4-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, Beta-2-microglobulin, GLYCEROL, ... 著者 Awad, W, Rossjohn, J. 登録日 2019-07-18 公開日 2020-02-19 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 The molecular basis underpinning the potency and specificity of MAIT cell antigens. Nat.Immunol., 21, 2020
8ST8	Structure of E3 ligase SopA bound to ubiquitin 分子名称: E3 ubiquitin-protein ligase SopA, Ubiquitin, prop-2-en-1-amine 著者 Franklin, T.G, Pruneda, J.N. 登録日 2023-05-09 公開日 2023-07-12 最終更新日 2024-01-03 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Bacterial ligases reveal fundamental principles of polyubiquitin specificity. Mol.Cell, 83, 2023
8AO2	Specific covalent inhibitor (3) of ERK2 分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2022-10-05 実験手法 X-RAY DIFFRACTION (1.796 Å) 主引用文献 X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
7Q9Q	Crystal structure of PDE6D Geranylgeranylated cystein complex 分子名称: 1,2-ETHANEDIOL, GERAN-8-YL GERAN, O-METHYLCYSTEINE, ... 著者 Yelland, T, Ismail, S. 登録日 2021-11-14 公開日 2022-01-19 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Stabilization of the RAS:PDE6D Complex Is a Novel Strategy to Inhibit RAS Signaling. J.Med.Chem., 65, 2022
8AOH	Specific covalent inhibitor(18) of ERK2 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2022-10-05 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8ST9	Structure of E3 ligase NleL bound to ubiquitin 分子名称: E3 ubiquitin-protein ligase SopA, Ubiquitin, prop-2-en-1-amine 著者 Franklin, T.G, Pruneda, J.N. 登録日 2023-05-09 公開日 2023-07-12 最終更新日 2024-01-03 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Bacterial ligases reveal fundamental principles of polyubiquitin specificity. Mol.Cell, 83, 2023
8AOD	Specific covalent inhibitor(14) of ERK2 分子名称: 1,2-ETHANEDIOL, 1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one, 4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2022-10-05 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
6PUQ	1.56 A crystal structure of flavodoxin-like domain of Schizosaccharomyces japonicus putative tRNAPhe 4-demethylwyosine synthase Tyw1 in complex with FMN 分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ... 著者 Sjekloca, L, Ferre-D'Amare, A.R. 登録日 2019-07-18 公開日 2020-07-22 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 Biochemical and structural characterization of the flavodoxin-like domain of the Schizosaccharomyces japonicus putative tRNAPhe 4-demethylwyosine synthase Tyw1 in complex with FMN. MicroPubl Biol, 2022, 2022
6JGK	Crystal structure of barley exohydrolaseI W434F mutant in complex with 4I,4III,4V-S-trithiocellohexaose 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ... 著者 Luang, S, Streltsov, V.A, Hrmova, M. 登録日 2019-02-14 公開日 2020-08-19 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases. Nat Commun, 13, 2022
6CAI	Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 24 round 7 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Kemp Eliminase KE07 著者 Jackson, C.J, Hong, N.-S, Carr, P.D. 登録日 2018-01-30 公開日 2018-08-01 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 The evolution of multiple active site configurations in a designed enzyme. Nat Commun, 9, 2018

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