PDB: 30760 件ウェブページステータス検索Chemie searchBIRD

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6YCF	Structure the bromelain protease from Ananas comosus in complex with the E64 inhibitor 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, FBSB, ... 著者 Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F. 登録日 2020-03-18 公開日 2020-11-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity. Sci Rep, 10, 2020
6YPH	Crystal Structure of CK2alpha with Compound 2 bound 分子名称: 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid, Casein kinase II subunit alpha 著者 Brear, P, Hyvonen, M. 登録日 2020-04-16 公開日 2020-07-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha. J.Med.Chem., 63, 2020
6YPN	Crystal Structure of CK2alpha with 2 molecules of ADP bound 分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ... 著者 Brear, P, Hyvonen, M. 登録日 2020-04-16 公開日 2020-07-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha. J.Med.Chem., 63, 2020
6URC	Crystal structure of IRE1a in complex with compound 18 分子名称: 2-chloro-N-(6-methyl-5-{[3-(2-{[(3S)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide, GLYCEROL, Serine/threonine-protein kinase/endoribonuclease IRE1 著者 Wallweber, H.H, Wang, W. 登録日 2019-10-23 公開日 2019-11-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Disruption of IRE1 alpha through its kinase domain attenuates multiple myeloma. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6V90	Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 12 分子名称: (2R)-2-{[2-(4-cyanophenyl)ethyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide, CHLORIDE ION, Histone acetyltransferase p300, ... 著者 Gardberg, A.S. 登録日 2019-12-12 公開日 2020-04-01 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors. Chemmedchem, 15, 2020
6YCG	Structure the bromelain protease from Ananas comosus in complex with the TLCK inhibitor 分子名称: CITRIC ACID, FBSB, ISOPROPYL ALCOHOL, ... 著者 Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F. 登録日 2020-03-18 公開日 2020-11-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity. Sci Rep, 10, 2020
6YHK	Crystal structure of full-length CNFy (C866S) from Yersinia pseudotuberculosis 分子名称: CHLORIDE ION, Cytotoxic necrotizing factor, SULFATE ION 著者 Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W. 登録日 2020-03-30 公開日 2020-12-30 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication. Embo J., 40, 2021
6YPG	Crystal Structure of CK2alpha with Compound 2 bound to second crystal form 分子名称: 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid, ACETATE ION, Casein kinase II subunit alpha 著者 Brear, P, Hyvonen, M. 登録日 2020-04-16 公開日 2020-07-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha. J.Med.Chem., 63, 2020
6YPK	Crystal Structure of CK2alpha with GTP bound 分子名称: Casein kinase II subunit alpha, GUANOSINE-5'-DIPHOSPHATE 著者 Brear, P, Hyvonen, M. 登録日 2020-04-16 公開日 2020-07-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha. J.Med.Chem., 63, 2020
6YPJ	Crystal Structure of CK2alpha with Compound 1 bound 分子名称: 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid, ACETATE ION, Casein kinase II subunit alpha 著者 Brear, P, Hyvonen, M. 登録日 2020-04-16 公開日 2020-07-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha. J.Med.Chem., 63, 2020
8AUC	Structure of peptidoglycan hydrolase Cg1735 from Corynebacterium glutamicum, trigonal crystal form 分子名称: Cell wall-associated hydrolases (Invasion-associated proteins), TETRACHLOROPLATINATE(II) 著者 Gaday, Q, Wehenkel, A.M, Alzari, P.M, Legrand, P. 登録日 2022-08-25 公開日 2023-01-18 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (3.5 Å) 主引用文献 FtsEX-independent control of RipA-mediated cell separation in Corynebacteriales. Proc.Natl.Acad.Sci.USA, 119, 2022
6Y0J	Cytochrome c in complex with phosphonato-calix[6]arene and sulfonato-calix[8]arene 分子名称: Cytochrome c iso-1, HEME C, phosphonato-calix[6]arene, ... 著者 Engilberge, S, Rennie, M.L, Crowley, P.B. 登録日 2020-02-07 公開日 2021-02-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Protein-macrocycle framework engineering: supramolecular copolymerisation with two disparate calixarenes Supramolecular Chemistry, 2021
6V1D	Crystal structure of human trefoil factor 1 分子名称: Trefoil factor 1 著者 Jarva, M.A, Lingford, J.P, John, A, Scott, N.E, Goddard-Borger, E.D. 登録日 2019-11-20 公開日 2019-12-11 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Trefoil factors share a lectin activity that defines their role in mucus. Nat Commun, 11, 2020
6HY8	Cu(II)-substituted Wells-Dawson binding to Hen Egg-White Lysozyme (HEWL) 分子名称: CHLORIDE ION, Cu(II)-substituted Wells-Dawson, Lysozyme C, ... 著者 Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. 登録日 2018-10-19 公開日 2019-10-30 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.22 Å) 主引用文献 Noncovalent Complexes Formed between Metal-Substituted Polyoxometalates and Hen Egg White Lysozyme Eur J Inorg Chem, 2019
6HOR	Human protein kinase CK2 alpha in complex with feruloylmethane 分子名称: (~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... 著者 Battistutta, R, Lolli, G. 登録日 2018-09-18 公開日 2019-10-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin. Febs J., 287, 2020
6YF3	FKBP12 in complex with the BMP potentiator compound 10 at 1.00A resolution 分子名称: (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ... 著者 Kallen, J. 登録日 2020-03-25 公開日 2021-03-10 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury. Cell Chem Biol, 28, 2021
6Y6R	Crystal structure of MINDY1 T335D mutant 分子名称: Ubiquitin carboxyl-terminal hydrolase MINDY-1 著者 Abdul Rehman, S.A, Kulathu, Y. 登録日 2020-02-27 公開日 2021-03-31 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (3.32 Å) 主引用文献 Mechanism of activation and regulation of deubiquitinase activity in MINDY1 and MINDY2. Mol.Cell, 81, 2021
6I0R	Structure of quinolinate synthase in complex with 5-mercaptopyridine-2,3-dicarboxylic acid 分子名称: 5-mercaptopyridine-2,3-dicarboxylic acid, FE (III) ION, HYDROSULFURIC ACID, ... 著者 Volbeda, A, Fontecilla-Camps, J.C. 登録日 2018-10-26 公開日 2019-03-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Design of specific inhibitors of quinolinate synthase based on [4Fe-4S] cluster coordination. Chem.Commun.(Camb.), 55, 2019
7ZWV	Crystal structure of human BCL6 BTB domain in complex with compound 17 分子名称: 1,2-ETHANEDIOL, 1,3-dimethyl-5-[[6-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]benzimidazol-2-one, ALA-TRP-VAL-ILE-PRO-ALA, ... 著者 Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2022-05-19 公開日 2022-11-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
6V8K	Crystal structure of the p300 acetyltransferase domain with peptide-competitive inhibitor 2 分子名称: 1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethan-1-one, COENZYME A, DIMETHYL SULFOXIDE, ... 著者 Gardberg, A.S. 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 (1.84 Å) 主引用文献 Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors. Chemmedchem, 15, 2020
7ZWY	Crystal structure of human BCL6 BTB domain in complex with compound 21 分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[(phenylmethyl)amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... 著者 Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2022-05-19 公開日 2022-11-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
6HOQ	Human protein kinase CK2 alpha in complex with ferulic acid 分子名称: 1,2-ETHANEDIOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, Casein kinase II subunit alpha, ... 著者 Battistutta, R, Lolli, G. 登録日 2018-09-18 公開日 2019-10-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin. Febs J., 287, 2020
6YJF	Plasmoodium vivax phosphoglycerate kinase bound to nitrofuran inhibitor from PEGSmear at pH 6.5 分子名称: (2~{S})-2-(5-nitrofuran-2-yl)-2,3,5,6,7,8-hexahydro-1~{H}-[1]benzothiolo[2,3-d]pyrimidin-4-one, GLYCEROL, Phosphoglycerate kinase 著者 Hyvonen, M, Brear, P, Blaszczyk, B.K. 登録日 2020-04-03 公開日 2021-04-14 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Phosphoglycerate Kinase as a potential target for antimalarial therapy to be published
7ZWN	Crystal structure of human BCL6 BTB domain in complex with a WVIP peptide 分子名称: 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ... 著者 Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2022-05-19 公開日 2022-11-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
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

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