PDB: 47720 件ウェブページステータス検索Chemie searchBIRD

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5UNW	Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-[2-(2-amino-4-methylquinolin-7-yl)ethyl]-5-((methylamino)methyl)benzonitrile 分子名称: 3-[2-(2-amino-4-methylquinolin-7-yl)ethyl]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2017-01-31 公開日 2017-05-03 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.044 Å) 主引用文献 Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
4E4Z	Oxidized (Cu2+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) in complex with hydrogen peroxide (1.98 A) 分子名称: COPPER (II) ION, GLYCEROL, HYDROGEN PEROXIDE, ... 著者 Rudzka, K, Amzel, L.M. 登録日 2012-03-13 公開日 2013-01-23 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Coordination of peroxide to the Cu(M) center of peptidylglycine alpha-hydroxylating monooxygenase (PHM): structural and computational study. J.Biol.Inorg.Chem., 18, 2013
5V8K	Homodimeric reaction center of H. modesticaldum 分子名称: 1-[GLYCEROLYLPHOSPHONYL]-2-[8-(2-HEXYL-CYCLOPROPYL)-OCTANAL-1-YL]-3-[HEXADECANAL-1-YL]-GLYCEROL, 4,4'-Diaponeurosporene, 8(1)-OH-Chlorophyll aF, ... 著者 Gisriel, C, Sarrou, I, Ferlez, B, Golbeck, J, Redding, K.E, Fromme, R. 登録日 2017-03-22 公開日 2017-09-06 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure of a symmetric photosynthetic reaction center-photosystem. Science, 357, 2017
4ZG7	Structural basis for inhibition of human autotaxin by four novel compounds 分子名称: (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-({6-chloro-7-fluoro-2-methyl-1-[2-oxo-2-(spiro[cyclopropane-1,3'-indol]-1'(2'H)-yl)ethyl]-1H-indol-3-yl}sulfanyl)-2-fluorobenzoic acid, ... 著者 Stein, A.J, Bain, G, Hutchinson, J.H, Evans, J.F. 登録日 2015-04-22 公開日 2015-10-14 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structural Basis for Inhibition of Human Autotaxin by Four Potent Compounds with Distinct Modes of Binding. Mol.Pharmacol., 88, 2015
4JZR	Structure of Prolyl Hydroxylase Domain-containing Protein (PHD) with Inhibitors 分子名称: 1,2-ETHANEDIOL, 2-(biphenyl-4-yl)-8-[(1-methyl-1H-imidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one, Egl nine homolog 1, ... 著者 Ma, Y, Yang, L. 登録日 2013-04-03 公開日 2013-10-30 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Novel complex crystal structure of prolyl hydroxylase domain-containing protein 2 (PHD2): 2,8-Diazaspiro[4.5]decan-1-ones as potent, orally bioavailable PHD2 inhibitors Bioorg.Med.Chem., 21, 2013
5DKP	Crystal Structure of N. meningitidis ClpP in complex with agonist ADEP A54556. 分子名称: ATP-dependent Clp protease proteolytic subunit, POTASSIUM ION, SODIUM ION, ... 著者 Goodreid, J.D, Janetzko, J, Santa Maria Jr, J.P, Wong, K, Leung, E, Eger, B.T, Bryson, S, Pai, E.F, Gray-Owen, S.D, Walker, S, Houry, W.A, Batey, R.A. 登録日 2015-09-03 公開日 2016-01-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.381 Å) 主引用文献 Development and Characterization of Potent Cyclic Acyldepsipeptide Analogues with Increased Antimicrobial Activity. J.Med.Chem., 59, 2016
5V2T	Ethylene forming enzyme in complex with manganese and tartrate 分子名称: 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, L(+)-TARTARIC ACID, MANGANESE (II) ION 著者 Fellner, M, Martinez, S, Hu, J, Hausinger, R.P. 登録日 2017-03-06 公開日 2017-08-16 最終更新日 2020-01-01 実験手法 X-RAY DIFFRACTION (1.227 Å) 主引用文献 Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist. J. Am. Chem. Soc., 139, 2017
4EH1	Crystal Structure of the Flavohem-like-FAD/NAD Binding Domain of Nitric Oxide Dioxygenase from Vibrio cholerae O1 biovar El Tor 分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavohemoprotein, ... 著者 Kim, Y, Gu, M, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2012-04-02 公開日 2012-04-25 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal Structure of the Flavohem-like-FAD/NAD Binding Domain of Nitric Oxide Dioxygenase from Vibrio cholerae O1 biovar El Tor To be Published
3DQX	chicken c-Src kinase domain in complex with ATPgS 分子名称: ADENOSINE MONOPHOSPHATE, Proto-oncogene tyrosine-protein kinase Src 著者 Azam, M, Seeliger, M.A, Gray, N, Kuriyan, J, Daley, G.Q. 登録日 2008-07-09 公開日 2008-09-23 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Activation of tyrosine kinases by mutation of the gatekeeper threonine. Nat.Struct.Mol.Biol., 15, 2008
4ELD	Crystal Structure of an Activated Variant of Small Heat Shock Protein Hsp16.5 分子名称: Small heat shock protein HSP16.5 著者 Spiller, B.W, Mchaourab, H.S, Lin, Y.-L. 登録日 2012-04-10 公開日 2012-06-13 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.701 Å) 主引用文献 Crystal structure of an activated variant of small heat shock protein hsp16.5. Biochemistry, 51, 2012
4EQR	Crystal structure of the Y361F mutant of Staphylococcus aureus CoADR 分子名称: CHLORIDE ION, COENZYME A, Coenzyme A disulfide reductase, ... 著者 Wallace, B.D, Edwards, J.S, Wallen, J.R, Claiborne, A, Redinbo, M.R. 登録日 2012-04-19 公開日 2012-10-17 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights. Biochemistry, 51, 2012
5BQX	Crystal structure of human STING in complex with 3'2'-cGAMP 分子名称: 3'2'-cGAMP, Stimulator of interferon genes protein 著者 Wu, J, Zhang, X, Chen, Z.J, Chen, C. 登録日 2015-05-29 公開日 2015-06-24 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Molecular basis for the specific recognition of the metazoan cyclic GMP-AMP by the innate immune adaptor protein STING. Proc.Natl.Acad.Sci.USA, 112, 2015
4EMW	Crystal Structure of Staphylococcus aureus bound with the covalent inhibitor EtVC-CoA 分子名称: CHLORIDE ION, Coenzyme A disulfide reductase, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Edwards, J.S, Wallace, B.D, Claiborne, A, Redinbo, M.R. 登録日 2012-04-12 公開日 2012-10-17 最終更新日 2019-07-17 実験手法 X-RAY DIFFRACTION (2.39 Å) 主引用文献 Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights. Biochemistry, 51, 2012
3DW3	Proteinase K by Classical hanging drop method before high X Ray dose on ESRF ID 14-2 beamline 分子名称: CALCIUM ION, Proteinase K 著者 Pechkova, E, Tripathi, S.K, Nicolini, C. 登録日 2008-07-21 公開日 2009-07-07 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (0.99 Å) 主引用文献 Radiation damage in protein structural characterization by Synchrotron Radiation: State of the art and Nanotechnology-based perspective To be Published
4ZS3	Structural complex of 5-aminofluorescein bound to the FTO protein 分子名称: 2-OXOGLUTARIC ACID, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, ... 著者 Wang, T, Hong, T, Huang, Y, Yang, C.G, Zhou, X. 登録日 2015-05-13 公開日 2015-11-04 最終更新日 2015-11-18 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Fluorescein Derivatives as Bifunctional Molecules for the Simultaneous Inhibiting and Labeling of FTO Protein J.Am.Chem.Soc., 137, 2015
2Y8O	Crystal structure of human p38alpha complexed with a MAPK docking peptide 分子名称: DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 6, MITOGEN-ACTIVATED PROTEIN KINASE 14 著者 Barkai, T, Garai, A, Toeroe, I, Remenyi, A. 登録日 2011-02-08 公開日 2012-02-22 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Specificity of Linear Motifs that Bind to a Common Mitogen-Activated Protein Kinase Docking Groove. Sci. Signal, 5, 2012
4EK1	Crystal Structure of Electron-Spin Labeled Cytochrome P450cam 分子名称: CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... 著者 Lee, Y.-T, Goodin, D.B. 登録日 2012-04-08 公開日 2012-07-25 最終更新日 2012-08-29 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Double electron-electron resonance shows cytochrome P450cam undergoes a conformational change in solution upon binding substrate. Proc.Natl.Acad.Sci.USA, 109, 2012
5B7V	Human FGFR1 kinase in complex with CH5183284 分子名称: Fibroblast growth factor receptor 1, SULFATE ION, [5-amino-1-(2-methyl-1H-benzimidazol-6-yl)-1H-pyrazol-4-yl](1H-indol-2-yl)methanone 著者 Fukami, T.A, Lukacs, C.M, Janson, C. 登録日 2016-06-09 公開日 2016-06-22 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 The fibroblast growth factor receptor genetic status as a potential predictor of the sensitivity to CH5183284/Debio 1347, a novel selective FGFR inhibitor Mol.Cancer Ther., 13, 2014
3DQW	c-Src kinase domain Thr338Ile mutant in complex with ATPgS 分子名称: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Proto-oncogene tyrosine-protein kinase Src 著者 Azam, M, Seeliger, M.A, Gray, N, Kuriyan, J, Daley, G.Q. 登録日 2008-07-09 公開日 2008-09-23 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.017 Å) 主引用文献 Activation of tyrosine kinases by mutation of the gatekeeper threonine. Nat.Struct.Mol.Biol., 15, 2008
4ZS2	Structural complex of FTO/fluorescein 分子名称: 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase FTO, ... 著者 Wang, T, Hong, T, Huang, Y, Yang, C.G, Zhou, X. 登録日 2015-05-13 公開日 2015-11-04 最終更新日 2015-11-18 実験手法 X-RAY DIFFRACTION (2.16 Å) 主引用文献 Fluorescein Derivatives as Bifunctional Molecules for the Simultaneous Inhibiting and Labeling of FTO Protein J.Am.Chem.Soc., 137, 2015
4ZXV	Streptomyces peucetius nitrososynthase DnmZ in ligand-free state 分子名称: DnmZ 著者 Sartor, L.M, Vey, J.L. 登録日 2015-05-20 公開日 2015-10-14 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structure of DnmZ, a nitrososynthase in the Streptomyces peucetius anthracycline biosynthetic pathway. Acta Crystallogr F Struct Biol Commun, 71, 2015
3ARQ	Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with IDARUBICIN 分子名称: Chitinase A, GLYCEROL, IDARUBICIN 著者 Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. 登録日 2010-12-09 公開日 2011-04-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
3AS3	Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with 2-(imidazolin-2-yl)-5-isothiocyanatobenzofuran 分子名称: 2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole, Chitinase A, GLYCEROL 著者 Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. 登録日 2010-12-09 公開日 2011-04-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
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
4FFV	Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with 11A19 Fab 分子名称: 11A19 Fab heavy chain, 11A19 Fab light chain, Dipeptidyl peptidase 4 著者 Wang, Z, Sudom, A, Walker, N.P, Min, X. 登録日 2012-06-01 公開日 2012-12-12 最終更新日 2021-05-19 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition To be published

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