PDB: 36840 件ウェブページステータス検索Chemie searchBIRD

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3LIZ	crystal structure of bla g 2 complexed with Fab 4C3 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4C3 monoclonal antibody Heavy Chain, ... 著者 Li, M, Gustchina, A, Glesner, J, Wunschmann, S, Pomes, A, Wlodawer, A. 登録日 2010-01-25 公開日 2010-12-15 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Mechanisms of allergen-antibody interaction of cockroach allergen Bla g 2 with monoclonal antibodies that inhibit IgE antibody binding. Plos One, 6, 2011
4Z8Y	Crystal structure of Rab GTPase Sec4p mutant - S29V 分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein SEC4, ... 著者 Rinadi, F.C, Collins, R.N. 登録日 2015-04-09 公開日 2015-10-14 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 New insights into the molecular mechanism of the Rab GTPase Sec4p activation. Bmc Struct.Biol., 15, 2015
3LR7	Ferric horse heart myoglobin, nitrite adduct 分子名称: Myoglobin, NITRITE ION, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Yi, J, Richter-Addo, G.B. 登録日 2010-02-10 公開日 2010-07-07 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Synchrotron X-ray-Induced Photoreduction of Ferric Myoglobin Nitrite Crystals Gives the Ferrous Derivative with Retention of the O-Bonded Nitrite Ligand. Biochemistry, 49, 2010
4ZNX	Crystal structure of the Fyn-SH3 domain in complex with the high affinity peptide APP12 分子名称: APP12, Tyrosine-protein kinase Fyn 著者 Camara-Artigas, A. 登録日 2015-05-05 公開日 2016-06-29 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 The role of water molecules in the binding of class I and II peptides to the SH3 domain of the Fyn tyrosine kinase. Acta Crystallogr.,Sect.F, 72, 2016
6QG4	Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidine inhibitor 1h 分子名称: 1-[(3~{R})-3-[4-azanyl-3-(4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7 著者 Wolle, P, Mueller, M.P, Rauh, D. 登録日 2019-01-10 公開日 2019-05-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7). J.Med.Chem., 62, 2019
3L5C	Structure of BACE Bound to SCH723871 分子名称: 1-(4-cyanophenyl)-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea, Beta-secretase 1, D(-)-TARTARIC ACID 著者 Strickland, C, Zhu, Z. 登録日 2009-12-21 公開日 2010-02-16 最終更新日 2017-11-01 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation J.Med.Chem., 53, 2010
4YXS	CAMP-DEPENDENT PROTEIN KINASE PKA CATALYTIC SUBUNIT WITH PKI-5-24 分子名称: N-BENZYL-9H-PURIN-6-AMINE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha 著者 Schiffer, A, Wendt, K.U. 登録日 2015-03-23 公開日 2015-05-20 最終更新日 2015-06-03 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles. Angew.Chem.Int.Ed.Engl., 54, 2015
3LND	Crystal structure of cadherin-6 EC12 W4A 分子名称: CALCIUM ION, Cdh6 protein 著者 Jin, X, Harrison, O, Shapiro, L. 登録日 2010-02-02 公開日 2010-03-02 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.82 Å) 主引用文献 Two-step adhesive binding by classical cadherins. Nat.Struct.Mol.Biol., 17, 2010
6Q2U	Structure of Cytochrome C4 from Pseudomonas aeruginosa 分子名称: Cytochrome c4, HEME C 著者 Carpenter, J.M, Zhong, F, Pletneva, E.V, Ragusa, M.J. 登録日 2019-08-08 公開日 2019-11-20 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structure and redox properties of the diheme electron carrier cytochrome c4from Pseudomonas aeruginosa. J.Inorg.Biochem., 203, 2019
4ZGU	Crystal structure of monomer Y60W hCRBPII 分子名称: ACETATE ION, Retinol-binding protein 2 著者 Nossoni, Z, Geiger, J. 登録日 2015-04-24 公開日 2016-06-08 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Domain-Swapped Dimers of Intracellular Lipid-Binding Proteins: Evidence for Ordered Folding Intermediates. Structure, 24, 2016
3LBI	Ras soaked in Magnesium Acetate and back soaked in Calcium Acetate 分子名称: ACETATE ION, CALCIUM ION, GTPase HRas, ... 著者 Holzapfel, G, Buhrman, G, Mattos, C. 登録日 2010-01-08 公開日 2010-03-02 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.087 Å) 主引用文献 Allosteric modulation of Ras positions Q61 for a direct role in catalysis. Proc.Natl.Acad.Sci.USA, 107, 2010
6QCB	Crystal structure of human cathepsin D in complex with macrocyclic inhibitor 9 分子名称: (3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin D, ... 著者 Brynda, J, Houstecka, R, Majer, P, Mares, M. 登録日 2018-12-27 公開日 2020-01-29 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis. J.Med.Chem., 63, 2020
6Q3F	CDK2 in complex with FragLite2 分子名称: 4-bromanylpyridin-2-amine, Cyclin-dependent kinase 2 著者 Wood, D.J, Martin, M.P, Noble, M.E.M. 登録日 2018-12-04 公開日 2019-03-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.18 Å) 主引用文献 FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
3LFD	Human p38 MAP Kinase in Complex with RL113 分子名称: 1-{4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. 登録日 2010-01-16 公開日 2011-04-20 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (3.4 Å) 主引用文献 Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha To be Published
6QDZ	P38 alpha complex with AR117045 分子名称: 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{S},4~{S})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 著者 Brown, D.G, Hurley, C, Irving, S.L. 登録日 2019-01-03 公開日 2020-01-29 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 P38 alpha complex with AR117045 To Be Published
3LFN	Crystal structure of CDK2 with SAR57, an aminoindazole type inhibitor 分子名称: Cell division protein kinase 2, N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide 著者 Dreyer, M.K, Wendt, K.U, Schimanski-Breves, S, Loenze, P. 登録日 2010-01-18 公開日 2010-03-02 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2. Bioorg.Med.Chem.Lett., 20, 2010
6QE9	The X-ray structure of the adduct formed in the reaction between bovine pancreatic ribonuclease and complex I, a pentacoordinate Pt(II) compound containing 2,9-dimethyl-1,10-phenanthroline, dimethylfumarate, methyl and iodine as ligands 分子名称: Ribonuclease pancreatic, SULFATE ION, pentacoordinate Pt(II) compound 著者 Merlino, A, Ferraro, G. 登録日 2019-01-07 公開日 2019-02-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Reaction with Proteins of a Five-Coordinate Platinum(II) Compound. Int J Mol Sci, 20, 2019
6Q6P	Antarctic fish cytoglobin 1 from D.mawsoni 分子名称: Cytoglobin, PROTOPORPHYRIN IX CONTAINING FE 著者 Giordano, D, Pesce, A, Vermeylen, S, Abbruzzetti, S, Nardini, M, Marchesani, F, Berghmans, H, Seira, C, Bruno, S, Luque, F.J, di Prisco, G, Ascenzi, P, Dewilde, S, Bolognesi, M, Viappiani, C, Verde, C. 登録日 2018-12-11 公開日 2020-01-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structural and functional properties of Antarctic fish cytoglobins-1: Cold-reactivity in multi-ligand reactions. Comput Struct Biotechnol J, 18, 2020
4ZJA	Small heat shock protein AgsA from Salmonella typhimurium: C-terminal truncated construct 分子名称: Aggregation suppressing protein 著者 Mani, N, Suguna, K. 登録日 2015-04-29 公開日 2016-04-20 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (4.101 Å) 主引用文献 Multiple oligomeric structures of a bacterial small heat shock protein Sci Rep, 6, 2016
6QF4	X-Ray structure of human Serine/Threonine Kinase 17B (STK17B) aka DRAK2 in complex with ADP obtained by on-chip soaking 分子名称: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... 著者 Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A. 登録日 2019-01-09 公開日 2019-07-10 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.495 Å) 主引用文献 On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies. Iucrj, 6, 2019
6QHO	Dual specificity mitogen-activated protein kinase kinase 7 in complex with pyrazolopyrimidine 1a 分子名称: 1-[(3~{R})-3-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7 著者 Wolle, P, Mueller, M.P, Rauh, D. 登録日 2019-01-17 公開日 2019-05-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7). J.Med.Chem., 62, 2019
6QFR	Structure of the mitogen activated kinase kinase 7 dfg-out conformation 分子名称: Dual specificity mitogen-activated protein kinase kinase 7 著者 Wolle, P, Mueller, M.P, Rauh, D. 登録日 2019-01-10 公開日 2019-05-22 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7). J.Med.Chem., 62, 2019
3LHG	Bace1 in complex with the aminohydantoin Compound 4g 分子名称: (5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 著者 Olland, A.M. 登録日 2010-01-22 公開日 2010-04-21 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Pyridinyl aminohydantoins as small molecule BACE1 inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
3L5F	Structure of BACE Bound to SCH736201 分子名称: (2E,5R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID 著者 Strickland, C, Zhu, Z. 登録日 2009-12-21 公開日 2010-02-16 最終更新日 2017-11-01 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation J.Med.Chem., 53, 2010
4Z46	X-ray structure of the bis-platinum lysozyme adduct formed in the reaction between the protein and the two drugs Cisplatin and Oxaliplatin 分子名称: 1,2-ETHANEDIOL, CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II), Cisplatin, ... 著者 Merlino, A. 登録日 2015-04-01 公開日 2015-05-27 最終更新日 2015-06-10 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Oxaliplatin vs. cisplatin: competition experiments on their binding to lysozyme. Dalton Trans, 44, 2015

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