PDB: 224004 件ウェブページステータス検索Chemie searchBIRD

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6R78	Structure of IMP-13 metallo-beta-lactamase in apo form (loop closed) 分子名称: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, Beta-lactamase, ... 著者 Zak, K.M, Softley, C, Kolonko, M, Sattler, M, Popowicz, G.M. 登録日 2019-03-28 公開日 2020-04-01 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 Structure and Molecular Recognition Mechanism of IMP-13 Metallo-beta-Lactamase. Antimicrob.Agents Chemother., 64, 2020
6W0T	Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments 分子名称: 6-(2-methylpropyl)-2-oxidanylidene-5~{H}-pyrimidine-4-carboxylic acid, Non-structural protein 3 著者 Wu, M, Zhang, S. 登録日 2020-03-02 公開日 2021-01-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
6RCM	Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 3 分子名称: (~{E})-~{N}-(5-~{tert}-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... 著者 Dalle Vedove, A, Zanforlin, E, Ribaudo, G, Zagotto, G, Battistutta, R, Lolli, G. 登録日 2019-04-11 公開日 2020-04-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 A novel class of selective CK2 inhibitors targeting its open hinge conformation. Eur.J.Med.Chem., 195, 2020
6GN7	X-ray structure of the complex between human alpha thrombin and NU172, a duplex/quadruplex 26-mer DNA aptamer, in the presence of sodium ions. 分子名称: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Troisi, R, Russo Krauss, I, Sica, F. 登録日 2018-05-30 公開日 2018-10-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Several structural motifs cooperate in determining the highly effective anti-thrombin activity of NU172 aptamer. Nucleic Acids Res., 46, 2018
6GWQ	Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-stab) in Complex with an Inhibitory Nanobody (VHH-2g-42) 分子名称: Plasminogen Activator Inhibitor-1, VHH-2g-42 著者 Sillen, M, Weeks, S.D, Strelkov, S.V, Declerck, P.J. 登録日 2018-06-25 公開日 2020-01-01 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.32 Å) 主引用文献 Molecular mechanism of two nanobodies that inhibit PAI-1 activity reveals a modulation at distinct stages of the PAI-1/plasminogen activator interaction. J.Thromb.Haemost., 18, 2020
6V6M	Crystal structure of an inactive state of GMPPNP-bound RhoA 分子名称: 1,4-DIETHYLENE DIOXIDE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... 著者 Lin, Y, Zheng, Y. 登録日 2019-12-05 公開日 2020-12-09 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 Structure of an inactive conformation of GTP-bound RhoA GTPase. Structure, 29, 2021
6TNE	Crystal structure of receiver domain from Hybrid Histidine Kinase CckA 分子名称: Histidine kinase 著者 Dubey, B.N, Bruederlin, M, Schirmer, T. 登録日 2019-12-06 公開日 2020-12-16 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Crystal structure of receiver domain from cyclic-di-GMP controlled hybrid histidine kinase to be published
6TOI	Crystal structure of human BCL6 BTB domain in complex with compound 11f 分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[[1-methyl-3-[(3~{R})-3-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... 著者 Collie, G.W, Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2019-12-11 公開日 2020-04-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders. J.Med.Chem., 63, 2020
6E6Q	1.20 A resolution structure of the C-terminally truncated [2Fe-2S] ferredoxin (Bfd) from Pseudomonas aeruginosa 分子名称: Bacterioferritin-associated ferredoxin, FE2/S2 (INORGANIC) CLUSTER 著者 Lovell, S, Wijerathne, H, Battaile, K.P, Yao, H, Wang, Y, Rivera, M. 登録日 2018-07-25 公開日 2018-09-19 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Bfd, a New Class of [2Fe-2S] Protein That Functions in Bacterial Iron Homeostasis, Requires a Structural Anion Binding Site. Biochemistry, 57, 2018
6ECV	StiD O-MT residues 976-1266 分子名称: CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, StiD protein 著者 Skiba, M.A, Bivins, M.M, Smith, J.L. 登録日 2018-08-08 公開日 2018-12-12 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.798 Å) 主引用文献 Structural Basis of Polyketide Synthase O-Methylation. ACS Chem. Biol., 13, 2018
8UVS	Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with spectinomycin derivative 2694, mRNA, deacylated A- and E-site tRNAphe, and deacylated P-site tRNAmet at 2.75A resolution 分子名称: (2R,4R,4aS,5aR,6S,7S,8R,9S,9aR,10aS)-2-methyl-6,8-bis(methylamino)-4-({[2-(oxan-4-yl)ethyl]amino}methyl)octahydro-2H-pyrano[2,3-b][1,4]benzodioxine-4,4a,7,9(10aH)-tetrol, 16S Ribosomal RNA, 23S Ribosomal RNA, ... 著者 Killam, B.Y, Phelps, G.A, Lee, R.E, Polikanov, Y.S. 登録日 2023-11-03 公開日 2024-08-07 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Development of 2nd generation aminomethyl spectinomycins that overcome native efflux in Mycobacterium abscessus. Proc.Natl.Acad.Sci.USA, 121, 2024
8UVR	Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with spectinomycin, mRNA, deacylated A- and E-site tRNAphe, and deacylated P-site tRNAmet at 2.60A resolution 分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... 著者 Killam, B.Y, Phelps, G.A, Lee, R.E, Polikanov, Y.S. 登録日 2023-11-03 公開日 2024-08-07 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Development of 2nd generation aminomethyl spectinomycins that overcome native efflux in Mycobacterium abscessus. Proc.Natl.Acad.Sci.USA, 121, 2024
8DND	Crystal structure of Bothrops pirajai Piratoxin-I (PrTX-I) and synthetic inhibitor Varespladib (LY315920) 分子名称: ({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)acetic acid, Basic phospholipase A2 homolog piratoxin-1, SULFATE ION 著者 Salvador, G.H.M, Fontes, M.R.M. 登録日 2022-07-11 公開日 2023-08-02 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.018 Å) 主引用文献 Structural basis of the myotoxic inhibition of the Bothrops pirajai PrTX-I by the synthetic varespladib. Biochimie, 207, 2023
6V3P	The BIgI domain of beta protein from S. agalactiae bound to CEACAM1 分子名称: Carcinoembryonic antigen-related cell adhesion molecule 1, GLYCEROL, IgA FC receptor, ... 著者 Bonsor, D.A, McCarthy, A.J. 登録日 2019-11-26 公開日 2020-12-02 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3.25 Å) 主引用文献 Bacterial protein domains with a novel Ig-like fold target human CEACAM receptors. Embo J., 40, 2021
6V8N	Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 17 分子名称: (2R)-2-{[(2S)-2-(4-cyanophenyl)propyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide, CHLORIDE ION, Histone acetyltransferase p300, ... 著者 Gardberg, A.S, Wilson, J.E. 登録日 2019-12-11 公開日 2020-04-01 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors. Chemmedchem, 15, 2020
6TRQ	S.c. Scavenger Decapping Enzyme DcpS in complex with the capped RNA dinucleotide m7G-GU 分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, L-GUANOSINE-5'-MONOPHOSPHATE, PHOSPHONATE, ... 著者 Fuchs, A.-L, Neu, A, Sprangers, R. 登録日 2019-12-19 公開日 2020-07-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.944 Å) 主引用文献 Molecular basis of the selective processing of short mRNA substrates by the DcpS mRNA decapping enzyme. Proc.Natl.Acad.Sci.USA, 117, 2020
6E5A	PPARg in complex with compound 4b 分子名称: (5Z)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one, Peroxisome proliferator-activated receptor gamma 著者 Bruning, J.B, Chua, B.S.K. 登録日 2018-07-19 公開日 2019-03-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Shooting three inflammatory targets with a single bullet: Novel multi-targeting anti-inflammatory glitazones. Eur J Med Chem, 167, 2019
6TUV	Crystal structure of Mindy1 in complex with Lys48 linked di-ubiquitin 分子名称: Polyubiquitin-C, SULFATE ION, Ubiquitin carboxyl-terminal hydrolase MINDY-1 著者 Abdul Rehman, S.A, Kulathu, Y. 登録日 2020-01-08 公開日 2021-01-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.16 Å) 主引用文献 Mechanism of activation and regulation of deubiquitinase activity in MINDY1 and MINDY2. Mol.Cell, 81, 2021
6GE5	TEAD4 (216-434);Y429F COMPLEXED WITH YAP PEPTIDE (60-100) AND MYRISTOATE (COVALENTLY BOUND) AT 2.05A (P41212 CRYSTAL FORM); MYRISTOYLATION WAS DONE BY ADDING MYR-COA 分子名称: MYRISTIC ACID, Transcriptional coactivator YAP1, Transcriptional enhancer factor TEF-3 著者 Kallen, J. 登録日 2018-04-25 公開日 2018-09-19 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Adaptation of the bound intrinsically disordered protein YAP to mutations at the YAP:TEAD interface. Protein Sci., 27, 2018
6GEC	TEAD4 (216-434) COMPLEXED WITH YAP PEPTIDE (60-100);S94A AND MYRISTOATE (COVALENTLY BOUND) AT 1.70A (P41212 CRYSTAL FORM); MYRISTOYLATION WAS DONE BY ADDING MYR-COA 分子名称: MYRISTIC ACID, Transcriptional coactivator YAP1, Transcriptional enhancer factor TEF-3 著者 Kallen, J. 登録日 2018-04-26 公開日 2018-09-19 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Adaptation of the bound intrinsically disordered protein YAP to mutations at the YAP:TEAD interface. Protein Sci., 27, 2018
6GEI	TEAD4 (216-434);E263A+Y429F COMPLEXED WITH YAP PEPTIDE (60- 100);S94A AND MYRISTOATE (COVALENTLY BOUND TO LYS344, NOT CYS367!) AT 1.65A (P41212 CRYSTAL FORM); MYRISTOYLATION WAS DONE BY ADDING MYR-COA 分子名称: MYRISTIC ACID, PHOSPHATE ION, Transcriptional coactivator YAP1, ... 著者 Kallen, J. 登録日 2018-04-26 公開日 2018-09-19 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Adaptation of the bound intrinsically disordered protein YAP to mutations at the YAP:TEAD interface. Protein Sci., 27, 2018
6G8L	14-3-3sigma in complex with a L132beta3L mutated YAP pS127 phosphopeptide 分子名称: 14-3-3 protein sigma, ACE-ARG-ALA-HIS-SEP-SER-PRO-ALA-SER-BLE-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 2024-01-17 実験手法 X-RAY DIFFRACTION (1.37 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
6FX4	Disulfide between E3 HECT ligase Smurf2 and Ubiquitin G76C 分子名称: E3 ubiquitin-protein ligase SMURF2, GLYCEROL, Polyubiquitin-B 著者 Jaeckl, M, Holdermann, I, Wiesner, S. 登録日 2018-03-08 公開日 2018-07-11 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 beta-Sheet Augmentation Is a Conserved Mechanism of Priming HECT E3 Ligases for Ubiquitin Ligation. J. Mol. Biol., 430, 2018
6FYR	X-RAY STRUCTURE OF CLK3-KD(GP-[275-632], NON-PHOS.)/Cpd-2 AT 1.42A 分子名称: 6-~{tert}-butyl-~{N}-[6-(1~{H}-pyrazol-4-yl)-1~{H}-imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide, Dual specificity protein kinase CLK3 著者 Kallen, J. 登録日 2018-03-12 公開日 2018-07-18 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome. ChemMedChem, 13, 2018
6G94	Structure of E. coli hydrogenase-1 C19G variant in complex with cytochrome b 分子名称: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ... 著者 Volbeda, A, Fontecilla-Camps, J.C. 登録日 2018-04-10 公開日 2018-06-13 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 X-ray structural, functional and computational studies of the O2-sensitive E. coli hydrogenase-1 C19G variant reveal an unusual [4Fe-4S] cluster. Chem. Commun. (Camb.), 54, 2018

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