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

---

4EPR	Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation. 分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION 著者 Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W. 登録日 2012-04-17 公開日 2012-05-23 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation. Angew.Chem.Int.Ed.Engl., 51, 2012
4KU8	Structures of PKGI Reveal a cGMP-Selective Activation Mechanism 分子名称: GLYCINE, cGMP-dependent Protein Kinase 1 著者 Huang, G.Y, Kim, J.J, Reger, A.S, Lorenz, R, Moon, E.W, Casteel, D.E, Sankaran, B, Herberg, F.W, Kim, C. 登録日 2013-05-21 公開日 2014-01-15 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.994 Å) 主引用文献 Structural Basis for Cyclic-Nucleotide Selectivity and cGMP-Selective Activation of PKG I. Structure, 22, 2014
4EPW	Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation 分子名称: (4-hydroxypiperidin-1-yl)(1H-indol-3-yl)methanethione, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W. 登録日 2012-04-17 公開日 2012-05-23 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation. Angew.Chem.Int.Ed.Engl., 51, 2012
3ZBV	Crystal Structure of murine Angiogenin-2 分子名称: ANGIOGENIN-2, GLYCEROL, SULFATE ION, ... 著者 Iyer, S, Holloway, D.E, Acharya, K.R. 登録日 2012-11-13 公開日 2012-12-26 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Crystal Structures of Murine Angiogenin-2 and -3 - Probing 'Structure - Function' Relationships Amongst Angiogenin Homologues. FEBS J., 280, 2013
4ER2	The active site of aspartic proteinases 分子名称: ENDOTHIAPEPSIN, PEPSTATIN, SULFATE ION 著者 Bailey, D, Veerapandian, B, Cooper, J.B, Blundell, T.L. 登録日 1990-10-20 公開日 1991-01-15 最終更新日 2017-11-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The active site of aspartic proteinases FEBS Lett., 174, 1984
2Y98	Structure of the mixed-function P450 MycG in complex with mycinamicin IV in P21212 space group 分子名称: CHLORIDE ION, GLYCEROL, MYCINAMICIN IV, ... 著者 Li, S, Kells, P.M, Sherman, D.H, Podust, L.M. 登録日 2011-02-12 公開日 2012-02-22 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions. J.Biol.Chem., 287, 2012
2YC2	Intraflagellar Transport Complex 25-27 from Chlamydomonas 分子名称: CALCIUM ION, INTRAFLAGELLAR TRANSPORT PROTEIN 25, SMALL RAB-RELATED GTPASE 著者 Bhogaraju, S, Taschner, M, Lorentzen, E. 登録日 2011-03-11 公開日 2011-03-23 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.588 Å) 主引用文献 Crystal Structure of the Intraflagellar Transport Complex 25/27. Embo J., 30, 2011
3R2F	Crystal structure of beta-site app-cleaving enzyme 1 (BACE-WT) complex with BMS-693391 AKA (2S)-2-((3R)-3-acetamido-3-isobutyl-2-oxo-1-pyrrolidinyl)-N-((1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-2-((2R,4R)-4-propoxy-2-pyrrolidinyl)ethyl)-4-phenylbutanamide 分子名称: (2S)-2-[(3R)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-{(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-propoxypyrrolidin-2-yl]propan-2-yl}-4-phenylbutanamide, Beta-secretase 1 著者 Muckelbauer, J.K. 登録日 2011-03-14 公開日 2011-08-31 最終更新日 2019-07-17 実験手法 X-RAY DIFFRACTION (2.53 Å) 主引用文献 Monosubstituted {gamma}-lactam and conformationally constrained 1,3-diaminopropan-2-ol transition-state isostere inhibitors of {beta}-secretase (BACE). Bioorg.Med.Chem.Lett., 21, 2011
4EWO	Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors 分子名称: Beta-secretase 1, N-[(2S,3R)-4-{[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide 著者 Borkakoti, N, Lindberg, J, Derbyshire, D. 登録日 2012-04-27 公開日 2012-10-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates. Bioorg.Med.Chem.Lett., 22, 2012
1HPG	A glutamic acid specific serine protease utilizes a novel histidine triad in substrate binding 分子名称: BOC-ALA-ALA-PRO-GLU PEPTIDE, Glutamic acid specific protease 著者 Nienaber, V.L, Birktoft, J.J. 登録日 1993-04-28 公開日 1995-07-10 最終更新日 2017-11-29 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 A glutamic acid specific serine protease utilizes a novel histidine triad in substrate binding. Biochemistry, 32, 1993
4EWZ	Human Insulin 分子名称: CHLORIDE ION, Insulin A chain, Insulin B chain, ... 著者 Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R. 登録日 2012-04-29 公開日 2013-05-01 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (1.791 Å) 主引用文献 Structural meta-analysis of regular human insulin in pharmaceutical formulations. Eur J Pharm Biopharm, 85, 2013
3ZPQ	Thermostabilised turkey beta1 adrenergic receptor with 4-(piperazin-1- yl)-1H-indole bound (compound 19) 分子名称: 4-(PIPERAZIN-1-YL)-1H-INDOLE, BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, ... 著者 Christopher, J.A, Congreve, M, Dore, A.S, Marshall, F.H, Myszka, D.G, Brown, J, Koglin, M, Tehan, B, Errey, J.C, Tate, C.G, Warne, T. 登録日 2013-03-01 公開日 2013-04-03 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Biophysical Fragment Screening of the Beta1-Adrenergic Receptor: Identification of High Affinity Aryl Piperazine Leads Using Structure-Based Drug Design. J.Med.Chem., 56, 2013
3R4L	Human very long half life Plasminogen Activator Inhibitor type-1 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Plasminogen activator inhibitor 1, beta-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose 著者 Yang, J, Zheng, H, Han, Q, Skrzypczak-Jankun, E, Jankun, J. 登録日 2011-03-17 公開日 2011-11-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Remarkable extension of PAI-1 half-life surprisingly brings no changes to its structure. Int.J.Mol.Med., 29, 2012
3ZSN	Structure of the mixed-function P450 MycG F286A mutant in complex with mycinamicin IV 分子名称: BENZAMIDINE, GLYCEROL, MYCINAMICIN IV, ... 著者 Li, S, Kells, P.M, Rutaganira, F.U, Anzai, Y, Kato, F, Sherman, D.H, Podust, L.M. 登録日 2011-06-29 公開日 2012-05-09 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions. J.Biol.Chem., 287, 2012
3R5I	Crystal structure of liganded Hemoglobin complexed with a potent Antisickling agent, INN-312 分子名称: 5-methoxy-2-(pyridin-3-ylmethoxy)benzaldehyde, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... 著者 Safo, M.K, Musayev, F.N, Safo, R.P, Daniels, D, Eseonu, D.N, Parra, J. 登録日 2011-03-18 公開日 2011-04-06 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural and in Vitro Chracterization of Pyridyl Derivatives of Benzaldehydes : Highly Potent Antisickling Agents To be Published
4EOF	Lysozyme in the presence of arginine 分子名称: ACETATE ION, ARGININE, CHLORIDE ION, ... 著者 Sharma, P, Ashish 登録日 2012-04-14 公開日 2013-04-17 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Characterization of heat induced spherulites of lysozyme reveals new insight on amyloid initiation. Sci Rep, 6, 2016
3ZU1	Structure of LysB29(Nepsilon omega-carboxyheptadecanoyl) des(B30) Human Insulin 分子名称: CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ... 著者 Schluckebier, G, Whittingham, J. 登録日 2011-07-13 公開日 2011-08-03 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure of Lysb29(Nepsilon Omega-Carboxyheptadecanoyl) Des(B30) Human Insulin To be Published
7Z2I	TRYPSIN (BOVINE) COMPLEXED WITH compound 4 分子名称: 5-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine, CALCIUM ION, DIMETHYL SULFOXIDE, ... 著者 Schiering, N, Dalvit, C, Vulpetti, A. 登録日 2022-02-27 公開日 2022-05-25 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.09 Å) 主引用文献 Efficient Screening of Target-Specific Selected Compounds in Mixtures by 19 F NMR Binding Assay with Predicted 19 F NMR Chemical Shifts. Chemmedchem, 17, 2022
7YYK	Crystal structure of the O-fucosylated form of TSRs1-3 from the human thrombospondin 1 分子名称: 1,2-ETHANEDIOL, Thrombospondin-1, alpha-L-fucopyranose 著者 Berardinelli, S.J, Eletsky, A, Valero-Gonzalez, J, Ito, A, Manjunath, R, Hurtado-Guerrero, R, Prestegard, J.R, Woods, R.J, Haltiwanger, R.S. 登録日 2022-02-18 公開日 2022-05-25 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 O-fucosylation stabilizes the TSR3 motif in thrombospondin-1 by interacting with nearby amino acids and protecting a disulfide bond. J.Biol.Chem., 298, 2022
3ZD2	THE STRUCTURE OF THE TWO N-TERMINAL DOMAINS OF COMPLEMENT FACTOR H RELATED PROTEIN 1 SHOWS FORMATION OF A NOVEL DIMERISATION INTERFACE 分子名称: 1,2-ETHANEDIOL, COMPLEMENT FACTOR H-RELATED PROTEIN 1 著者 Caesar, J.J.E, Goicoechea de Jorge, E, Pickering, M.C, Lea, S.M. 登録日 2012-11-23 公開日 2013-03-13 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Dimerization of Complement Factor H-Related Proteins Modulates Complement Activation in Vivo. Proc.Natl.Acad.Sci.USA, 110, 2013
7Z25	TRYPSIN (BOVINE) COMPLEXED WITH compound 12 分子名称: 2-(5-bromanyl-7-fluoranyl-2-methyl-1H-indol-3-yl)ethanamine, CALCIUM ION, DIMETHYL SULFOXIDE, ... 著者 Schiering, N, Dalvit, C, Vulpetti, A. 登録日 2022-02-25 公開日 2022-05-25 最終更新日 2022-07-20 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Efficient Screening of Target-Specific Selected Compounds in Mixtures by 19 F NMR Binding Assay with Predicted 19 F NMR Chemical Shifts. Chemmedchem, 17, 2022
4KUP	Endothiapepsin in complex with 20mM acylhydrazone inhibitor 分子名称: (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Radeva, N, Heine, A, Klebe, G. 登録日 2013-05-22 公開日 2014-04-02 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.311 Å) 主引用文献 Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry. Angew.Chem.Int.Ed.Engl., 53, 2014
3ROV	Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus 分子名称: CHLORIDE ION, Insulin, PHENOL, ... 著者 Weiss, M.A, Wan, Z.L, Dodson, E.J, Liu, M, Xu, B, Hua, Q.X, Turkenburg, M, Whittingham, J, Nakagawa, S.H, Huang, K, Hu, S.Q, Jia, W.H, Wang, S.H, Brange, J, Whittaker, J, Arvan, P, Katsoyannis, P.G, Dodson, G.G. 登録日 2011-04-26 公開日 2012-05-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus To be Published
4FD9	Crystal structure of the third beta-gamma-crystallin domain of Crybg3 (betagamma-crystallin domain-containing protein 3) from Mus musculus 分子名称: Beta/gamma crystallin domain-containing protein 3 著者 Aravind, P, Srivastava, S.S, Sankaranarayanan, R. 登録日 2012-05-26 公開日 2013-04-10 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Aggregation-prone near-native intermediate formation during unfolding of a structurally similar nonlenticular beta/gamma-crystallin domain Biochemistry, 51, 2012
2YBH	Nitrate X-ray induced reduction on HEWL crystals (2.31 MGy). 分子名称: LYSOZYME C, NITRATE ION 著者 De la Mora, E, Carmichael, I, Garman, E.F. 登録日 2011-03-08 公開日 2011-07-20 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Effective Scavenging at Cryotemperatures: Further Increasing the Dose Tolerance of Protein Crystals. J.Synchrotron.Radiat., 18, 2011

<655656657658659660661662663664665666667668669670>