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

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6FTY	COMPLEMENT FACTOR D COMPLEXED WITH COMPOUND 5 分子名称: 4-[[(5~{S},7~{R})-3-azanyl-1-adamantyl]carbonylamino]-1~{H}-indole-2-carboxamide, Complement factor D, GLYCEROL 著者 Ostermann, N. 登録日 2018-02-26 公開日 2018-06-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D. ACS Med Chem Lett, 9, 2018
4ZSJ	MITOGEN ACTIVATED PROTEIN KINASE 7 IN COMPLEX WITH INHIBITOR 分子名称: 3-amino-5-[(4-chloro-3-methylphenyl)amino]-N-(propan-2-yl)-1H-1,2,4-triazole-1-carboxamide, GLYCEROL, Mitogen-activated protein kinase 7 著者 Tucker, J, Ogg, D.J. 登録日 2015-05-13 公開日 2016-05-04 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.48 Å) 主引用文献 Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site. Acta Crystallogr D Struct Biol, 72, 2016
6QAV	Crystal structure of ULK2 in complexed with MRT68921 分子名称: 1,2-ETHANEDIOL, GLYCEROL, SODIUM ION, ... 著者 Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC) 登録日 2018-12-19 公開日 2019-02-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2). Biochem.J., 476, 2019
6QBH	Crystal structure of human cathepsin D in complex with macrocyclic inhibitor 33 分子名称: (4~{S},5~{S},9~{S})-5-oxidanyl-4-(phenylmethyl)-9-propan-2-yl-1-oxa-3,8,11-triazacyclodocosane-2,7,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Brynda, J, Houstecka, R, Majer, P, Mares, M. 登録日 2018-12-21 公開日 2020-01-29 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.85 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
5T43	NMR Structure of Apo-form Human Tear Lipocalin 分子名称: Lipocalin-1 著者 Vogel, H.J, Liu, Z. 登録日 2016-08-28 公開日 2017-08-30 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 NMR Structure of Apo-form Human Tear Lipocalin To Be Published
6QBU	Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC188 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Chymotrypsin-like elastase family member 1, PHOSPHATE ION, ... 著者 Brito, J.A, Almeida, V.T, Carvalho, L.M, Moreira, R, Archer, M. 登録日 2018-12-21 公開日 2020-04-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling. Acs Chem.Biol., 15, 2020
4ZWC	Crystal structure of maltose-bound human GLUT3 in the outward-open conformation at 2.6 angstrom 分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ... 著者 Deng, D, Sun, P.C, Yan, C.Y, Yan, N. 登録日 2015-05-19 公開日 2015-07-22 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Molecular basis of ligand recognition and transport by glucose transporters Nature, 526, 2015
6EW4	Human myelin protein P2 F57A mutant, monoclinic crystal form 分子名称: Myelin P2 protein, PALMITIC ACID 著者 Laulumaa, S, Lehtimaki, M, Kursula, P. 登録日 2017-11-03 公開日 2018-07-11 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.271 Å) 主引用文献 Structure and dynamics of a human myelin protein P2 portal region mutant indicate opening of the beta barrel in fatty acid binding proteins. BMC Struct. Biol., 18, 2018
5VCZ	CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH Bosutinib isomer 分子名称: 1,2-ETHANEDIOL, 4-[(3,5-DICHLORO-4-METHOXYPHENYL)AMINO]-6-METHOXY-7-[3-(4-METHYLPIPERAZIN-1-YL)PROPOXY]QUINOLINE-3-CARBONITRILE, DI(HYDROXYETHYL)ETHER, ... 著者 Zhu, J.-Y, Schonbrunn, E. 登録日 2017-04-01 公開日 2017-08-23 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors. J. Med. Chem., 60, 2017
5VD7	CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH RAC-IV-098, a MK1775 analogue 分子名称: 1,2-ETHANEDIOL, 6-{[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, CHLORIDE ION, ... 著者 Zhu, J.-Y, Schonbrunn, E. 登録日 2017-04-01 公開日 2018-04-04 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Structural basis of Wee family kinase inhibition by small molecules to be published
4ZV8	Structure of CYP2B6 (Y226H/K262R) with additional mutation Y244W in complex with alpha-Pinene 分子名称: (+)-alpha-Pinene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... 著者 Liu, J, Shah, M.B, Stout, C.D, Halpert, J.R. 登録日 2015-05-18 公開日 2016-03-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations. Biochemistry, 55, 2016
6Q6T	Crystal structure (orthorombic form) of C36S mutant of thioredoxin h1 from Chlamydomonas reinhardtii 分子名称: DI(HYDROXYETHYL)ETHER, Thioredoxin H-type 著者 Fermani, S, Zaffagnini, M, Lemaire, S.D. 登録日 2018-12-11 公開日 2019-01-16 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (0.94 Å) 主引用文献 Structural and Biochemical Insights into the Reactivity of Thioredoxin h1 fromChlamydomonas reinhardtii. Antioxidants (Basel), 8, 2019
5VEE	PAK4 kinase domain in complex with FRAX486 分子名称: 6-(2,4-dichlorophenyl)-8-ethyl-2-{[3-fluoro-4-(piperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 4 著者 Zhang, E.Y, Ha, B.H, Boggon, T.J. 登録日 2017-04-04 公開日 2017-10-18 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 PAK4 crystal structures suggest unusual kinase conformational movements. Biochim. Biophys. Acta, 1866, 2018
4ZW9	Crystal structure of human GLUT3 bound to D-glucose in the outward-occluded conformation at 1.5 angstrom 分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ... 著者 Deng, D, Sun, P.C, Yan, C.Y, Yan, N. 登録日 2015-05-19 公開日 2015-07-22 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.502 Å) 主引用文献 Molecular basis of ligand recognition and transport by glucose transporters Nature, 526, 2015
5VEI	Crystal structure of the SH3 domain of human sorbin and SH3 domain-containing protein 2 分子名称: Sorbin and SH3 domain-containing protein 2, UNKNOWN ATOM OR ION 著者 Liu, Y, Tempel, W, Huang, H, Gu, J, Liu, K, Sidhu, S.S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) 登録日 2017-04-04 公開日 2017-08-02 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.33 Å) 主引用文献 Crystal structure of the SH3 domain of human sorbin and SH3 domain-containing protein 2 To be Published
4PPO	First Crystal Structure for an Oxaliplatin-Protein Complex 分子名称: 1,2-ETHANEDIOL, CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II), Lysozyme C, ... 著者 Messori, L, Merlino, A. 登録日 2014-02-27 公開日 2015-01-14 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 The X-ray structure of the complex formed in the reaction between oxaliplatin and lysozyme. Chem.Commun.(Camb.), 50, 2014
5VNU	Nonheme Iron Replacement in a Biosynthetic Nitric Oxide Reductase Model Performing O2 Reduction to Water: Mn-bound FeBMb 分子名称: MANGANESE (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE 著者 Reed, J, Shi, Y, Zhu, Q, Chakraborty, S, Mirs, E.N, Petrik, I.D, Bhagi-Damodaran, A, Ross, M, Moenne-Loccoz, P, Zhang, Y, Lu, Y. 登録日 2017-05-01 公開日 2017-08-16 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.584 Å) 主引用文献 Manganese and Cobalt in the Nonheme-Metal-Binding Site of a Biosynthetic Model of Heme-Copper Oxidase Superfamily Confer Oxidase Activity through Redox-Inactive Mechanism. J. Am. Chem. Soc., 139, 2017
5A8Y	Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, MALONATE ION, ... 著者 vonNussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. 登録日 2015-07-17 公開日 2016-08-03 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: In Vivo Efficacy of the Polar Pyrimidopyridazine Bay-8040 in a Pulmonary Arterial Hypertension Rat Model. Chemmedchem, 11, 2016
5VCW	CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH Pelitinib 分子名称: (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide, 1,2-ETHANEDIOL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ... 著者 Zhu, J.-Y, Schonbrunn, E. 登録日 2017-04-01 公開日 2017-08-23 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors. J. Med. Chem., 60, 2017
7S6U	Leishmania infantum Glycogen Synthase Kinase 3 beta bound to AZD5438 分子名称: 1,2-ETHANEDIOL, 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, CACODYLATE ION, ... 著者 dos Reis, C.V, Ramos, P.Z, Counago, R.M. 登録日 2021-09-15 公開日 2022-11-09 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Leishmania infantum Glycogen Synthase Kinase 3 beta bound to AZD5438 To Be Published
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
5AAR	Structure of the ankyrin domain of an Arabidopsis Thaliana potassium channel 分子名称: MAGNESIUM ION, POTASSIUM CHANNEL AKT1 著者 Chaves-Sanjuan, A, Sanchez-Barrena, M.J, Albert, A. 登録日 2015-07-28 公開日 2016-08-24 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Recognition and activation of the plant AKT1 potassium channel by the kinase CIPK23. Plant Physiol., 2020
5VHB	Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitor 分子名称: N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha 著者 Judge, R.A. 登録日 2017-04-12 公開日 2018-01-31 最終更新日 2018-04-04 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate. Chembiochem, 19, 2018
5VIB	Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitors 分子名称: 3-({[6-(pyridin-4-yl)-1,3-benzothiazol-2-yl][2-(pyrrolidin-1-yl)ethyl]amino}methyl)phenol, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha 著者 Judge, R.A. 登録日 2017-04-14 公開日 2018-01-31 最終更新日 2018-04-04 実験手法 X-RAY DIFFRACTION (2.37 Å) 主引用文献 Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate. Chembiochem, 19, 2018
6F2I	Crystal structure of Hen Egg-White Lysozyme co-crystallized in presence of 100 mM Tb-Xo4 分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C, ... 著者 Engilberge, S, Riobe, F, DI Pietro, S, Girard, E, Dumont, E, Maury, O. 登録日 2017-11-24 公開日 2018-10-03 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography. Chemistry, 24, 2018

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