PDB: 37044 件ウェブページステータス検索Chemie searchBIRD

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4PJN	Myosin VI motor domain in the Pi release state, space group P212121 - shortly soaked with PO4 分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... 著者 Isabet, T, Benisty, H, Llinas, P, Sweeney, H.L, Houdusse, A. 登録日 2014-05-12 公開日 2015-04-29 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 How actin initiates the motor activity of Myosin. Dev.Cell, 33, 2015
4PRJ	Aurora A kinase domain with compound 2 (N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide) 分子名称: Aurora kinase A, N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide 著者 Ultsch, M, Eigenbrot, C. 登録日 2014-03-05 公開日 2014-07-02 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors. J.Med.Chem., 57, 2014
6T3J	Dual Epitope Targeting by Anti-DR5 Antibodies 分子名称: IgG1-hDR5-01-Heavy Chain, IgG1-hDR5-01-Light Chain, IgG1-hDR5-05-Heavy Chain, ... 著者 Tauchert, M.J, Augustin, M, Krapp, S, Overdijk, M.B, Breij, E.C.W, Hibbert, R.G. 登録日 2019-10-11 公開日 2020-09-16 最終更新日 2020-10-14 実験手法 X-RAY DIFFRACTION (3.05 Å) 主引用文献 Dual Epitope Targeting and Enhanced Hexamerization by DR5 Antibodies as a Novel Approach to Induce Potent Antitumor Activity Through DR5 Agonism. Mol.Cancer Ther., 19, 2020
6EET	Crystal structure of mouse Protocadherin-15 EC9-MAD12 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... 著者 Narui, Y, Sotomayor, M. 登録日 2018-08-15 公開日 2019-08-21 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3.23 Å) 主引用文献 Structural determinants of protocadherin-15 mechanics and function in hearing and balance perception. Proc.Natl.Acad.Sci.USA, 2020
4X7O	Co-crystal Structure of PERK bound to 1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone inhibitor 分子名称: 1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3 著者 Shaffer, P.L, Long, A.M, Chen, H. 登録日 2014-12-09 公開日 2015-01-28 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK). J.Med.Chem., 58, 2015
6GEO	Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP121A1 in complex with Triazole Pyrazole inhibitor 10j 分子名称: 2-chloranyl-3-[4-(imidazol-1-ylmethyl)-1-phenyl-pyrazol-3-yl]-1~{H}-indole, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Levy, C.W. 登録日 2018-04-27 公開日 2019-08-07 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Design and Synthesis of Imidazole and Triazole Pyrazoles asMycobacterium TuberculosisCYP121A1 Inhibitors. Chemistryopen, 8, 2019
6GC5	Molecular basis for AU-rich element recognition and dimerization by the HuR C-terminal RRM 分子名称: AU-rich RNA, ELAV-like protein 1 著者 Ripin, N, Allain, F.H. 登録日 2018-04-17 公開日 2019-01-30 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Molecular basis for AU-rich element recognition and dimerization by the HuR C-terminal RRM. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6GD6	Cytochrome c in complex with Sulfonato-calix[8]arene, H3 form with ammonium sulfate 分子名称: Cytochrome c iso-1, HEME C, SULFATE ION, ... 著者 Rennie, M.L, Fox, G.C, Crowley, P.B. 登録日 2018-04-23 公開日 2018-08-29 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Auto-regulated Protein Assembly on a Supramolecular Scaffold. Angew. Chem. Int. Ed. Engl., 57, 2018
5TY3	Crystal structure of K72A variant of Human Cytochrome c 分子名称: Cytochrome c, HEME C, SULFATE ION 著者 Mou, T.C, Nold, S.M, Lei, H, Sprang, S.R, Bowler, B.E. 登録日 2016-11-18 公開日 2017-09-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Effect of a K72A Mutation on the Structure, Stability, Dynamics, and Peroxidase Activity of Human Cytochrome c. Biochemistry, 56, 2017
4POM	Crystal structures of thioredoxin with mesna at 1.85A resolution 分子名称: 1-THIOETHANESULFONIC ACID, Thioredoxin 著者 Sridhar, V, Chie-Leon, B, Badger, J, Nienaber, V.L, Hausheer, F.H. 登録日 2014-02-26 公開日 2014-10-29 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 BNP7787 Forms Novel Covalent Adducts on Human Thioredoxin and Modulates Thioredoxin Activity J Pharmacol Clin Toxicol, 2, 2014
6GE0	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 分子名称: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]ethanamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... 著者 O'Reilly, M. 登録日 2018-04-25 公開日 2018-05-30 最終更新日 2018-06-27 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
4ZE3	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140H mutant complexed with fluconazole 分子名称: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Sagatova, A, Keniya, M.V, Wilson, R, Monk, B.C, Tyndall, J.D.A. 登録日 2015-04-20 公開日 2016-03-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase. Sci Rep, 6, 2016
4ZEE	X-ray structure of the bis-platinum lysozyme adduct formed in the reaction between the protein and the two drugs Cisplatin and Oxaliplatin (preparation 2) 分子名称: 1,2-ETHANEDIOL, CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II), Cisplatin, ... 著者 Merlino, A. 登録日 2015-04-20 公開日 2015-05-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Oxaliplatin vs. cisplatin: competition experiments on their binding to lysozyme. Dalton Trans, 44, 2015
6GEQ	Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP121A1 in complex with Triazole Pyrazole inhibitor 14a 分子名称: 1-phenyl-3-pyridin-4-yl-~{N}-(pyridin-4-ylmethyl)pyrazole-4-carboxamide, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Levy, C.W. 登録日 2018-04-27 公開日 2019-08-07 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Design and Synthesis of Imidazole and Triazole Pyrazoles asMycobacterium TuberculosisCYP121A1 Inhibitors. Chemistryopen, 8, 2019
4N6Y	Pim1 Complexed with a phenylcarboxamide 分子名称: 2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1 著者 Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D. 登録日 2013-10-14 公開日 2013-11-06 最終更新日 2014-07-02 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors. ACS Med Chem Lett, 4, 2013
6TNB	X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 41 分子名称: (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide, CHLORIDE ION, Dual specificity protein kinase TTK 著者 Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. 登録日 2019-12-06 公開日 2020-05-13 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
4ZJI	PAK1 in complex with 2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine 分子名称: 2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine, MAGNESIUM ION, Serine/threonine-protein kinase PAK 1 著者 Gutmann, S, Rummel, G. 登録日 2015-04-29 公開日 2015-06-24 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor. Acs Med.Chem.Lett., 6, 2015
6TCA	Phosphorylated p38 and MAPKAPK2 complex with inhibitor 分子名称: MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide 著者 Sok, P, Remenyi, A. 登録日 2019-11-05 公開日 2020-07-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (3.7 Å) 主引用文献 MAP Kinase-Mediated Activation of RSK1 and MK2 Substrate Kinases. Structure, 28, 2020
4N7N	Capturing the haemoglobin allosteric transition in a single crystal form; Crystal structure of full-liganded human haemoglobin with phosphate at 2.75 A resolution. 分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE 著者 Sugiyama, K, Shibayama, N, Park, S.Y. 登録日 2013-10-16 公開日 2014-04-02 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.754 Å) 主引用文献 Capturing the hemoglobin allosteric transition in a single crystal form J.Am.Chem.Soc., 136, 2014
6FVC	Protein environment affects the water-tryptophan binding mode. Molecular dynamics simulations of Engrailed homeodomain mutants 分子名称: Segmentation polarity homeobox protein engrailed 著者 Trosanova, Z, Zachrdla, M, Jansen, S, Srb, P, Zidek, L, Kozelka, J. 登録日 2018-03-02 公開日 2019-04-03 最終更新日 2024-06-19 実験手法 SOLUTION NMR 主引用文献 Protein environment affects the water-tryptophan binding mode. MD, QM/MM, and NMR studies of engrailed homeodomain mutants. Phys Chem Chem Phys, 20, 2018
6GCH	STRUCTURE OF CHYMOTRYPSIN-*TRIFLUOROMETHYL KETONE INHIBITOR COMPLEXES. COMPARISON OF SLOWLY AND RAPIDLY EQUILIBRATING INHIBITORS 分子名称: 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE), GAMMA-CHYMOTRYPSIN A 著者 Brady, K, Wei, A, Ringe, D, Abeles, R.H. 登録日 1990-04-06 公開日 1990-10-15 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure of chymotrypsin-trifluoromethyl ketone inhibitor complexes: comparison of slowly and rapidly equilibrating inhibitors. Biochemistry, 29, 1990
6TEW	Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the 2-aminothiazole-type inhibitor 27 分子名称: 1,2-ETHANEDIOL, 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid, Casein kinase II subunit alpha' 著者 Niefind, K, Lindenblatt, D, Jose, J, Applegate, V.M, Nickelsen, A. 登録日 2019-11-12 公開日 2020-07-08 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.082 Å) 主引用文献 Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2. J.Med.Chem., 63, 2020
6GHH	Thermodynamic, Crystallographic and Computational Studies of Non Mammalian Fatty Acid Binding to Bovine b-Lactoglobulin 分子名称: Beta-lactoglobulin, N-TRIDECANOIC ACID 著者 Kontopidis, G, Rovoli, M. 登録日 2018-05-07 公開日 2018-06-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Thermodynamic, crystallographic and computational studies of non-mammalian fatty acid binding to bovine beta-Lactoglobulin. Int. J. Biol. Macromol., 118, 2018
6GF0	Lysozyme structure determined from SFX data using a Sheet-on-Sheet chipless chip 分子名称: Lysozyme C 著者 Doak, R.B, Gorel, A, Foucar, L, Gruenbein, M.L, Hilpert, M, Kloos, M, Nass Kovacs, G, Roome, C, Shoeman, R.L, Stricker, M, Tono, K, You, D, Ueda, K, Sherrel, D, Owen, R, Barends, T.R.M, Schlichting, I. 登録日 2018-04-27 公開日 2018-10-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Crystallography on a chip - without the chip: sheet-on-sheet sandwich. Acta Crystallogr D Struct Biol, 74, 2018
4ZET	Blood dendritic cell antigen 2 (BDCA-2) complexed with GalGlcNAcMan 分子名称: C-type lectin domain family 4 member C, CALCIUM ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose 著者 Jegouzo, S.A.F, Feinberg, H, Dungarwalla, T, Drickamer, K, Weis, W.I, Taylor, M.E. 登録日 2015-04-20 公開日 2015-05-27 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 A Novel Mechanism for Binding of Galactose-terminated Glycans by the C-type Carbohydrate Recognition Domain in Blood Dendritic Cell Antigen 2. J.Biol.Chem., 290, 2015

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