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

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6I2D	Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp182 and RKp117 分子名称: UPF0418 protein FAM164A, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, cAMP-dependent protein kinase catalytic subunit alpha 著者 Mueller, J.M, Heine, A, Klebe, G. 登録日 2018-11-01 公開日 2019-05-15 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage Acs Omega, 2019
6T20	Cryo-EM structure of phalloidin-stabilized F-actin (aged) 分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... 著者 Pospich, S, Merino, F, Raunser, S. 登録日 2019-10-07 公開日 2020-03-04 最終更新日 2020-04-15 実験手法 ELECTRON MICROSCOPY (3.7 Å) 主引用文献 Structural Effects and Functional Implications of Phalloidin and Jasplakinolide Binding to Actin Filaments. Structure, 28, 2020
3EKY	Crystal Structure of wild-type HIV protease in complex with the inhibitor, Atazanavir 分子名称: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, PHOSPHATE ION, ... 著者 Schiffer, C.A, Nalam, M.N.L. 登録日 2008-09-19 公開日 2009-09-01 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease. Acs Chem.Biol., 7, 2012
3EL9	Crystal structure of atazanavir (ATV) in complex with a multidrug HIV-1 protease (V82T/I84V) 分子名称: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ACETATE ION, ... 著者 Prabu-Jeyabalan, M, King, N, Schiffer, C. 登録日 2008-09-21 公開日 2009-09-01 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease. Acs Chem.Biol., 7, 2012
6T6D	Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2149 分子名称: 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide, Activin receptor type I, SULFATE ION 著者 Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. 登録日 2019-10-18 公開日 2019-10-30 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.56 Å) 主引用文献 Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma. J.Med.Chem., 63, 2020
8BPI	Human Gamma-D crystallin R36S mutant after UV illumination 分子名称: Gamma-crystallin D 著者 Yorke, B.A, Hill, J.A. 登録日 2022-11-16 公開日 2023-11-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Human Gamma-D crystallin R36S mutant with DTT-Protein modification To Be Published
5E4Q	Crystal structure of mouse CNTN3 FN1-FN3 domains 分子名称: Contactin-3 著者 Nikolaienko, R.M, Bouyain, S. 登録日 2015-10-07 公開日 2016-08-31 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.822 Å) 主引用文献 Structural Basis for Interactions Between Contactin Family Members and Protein-tyrosine Phosphatase Receptor Type G in Neural Tissues. J.Biol.Chem., 291, 2016
6UVR	Human Connexin-26 (Neutral pH open conformation) 分子名称: Gap junction beta-2 protein 著者 Khan, A.K, Jagielnicki, M, Purdy, M.D, Yeager, M. 登録日 2019-11-04 公開日 2020-04-29 最終更新日 2020-05-06 実験手法 ELECTRON MICROSCOPY (4 Å) 主引用文献 A Steric "Ball-and-Chain" Mechanism for pH-Mediated Regulation of Gap Junction Channels. Cell Rep, 31, 2020
3EOA	Crystal structure the Fab fragment of Efalizumab in complex with LFA-1 I domain, Form I 分子名称: Efalizumab Fab fragment, heavy chain, light chain, ... 著者 Li, S, Ding, J. 登録日 2008-09-26 公開日 2009-04-14 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Efalizumab binding to the LFA-1 alphaL I domain blocks ICAM-1 binding via steric hindrance. Proc.Natl.Acad.Sci.USA, 106, 2009
6UWB	X-ray crystal structure of wild type HIV-1 protease in complex with GRL-08513 分子名称: (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate, Protease 著者 Yedidi, R.S, Hayashi, H, Ghosh, A.K, Mitsuya, H. 登録日 2019-11-05 公開日 2020-11-18 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Fluorine Modifications Contribute to Potent Antiviral Activity against Highly Drug-Resistant HIV-1 and Favorable Blood-Brain Barrier Penetration Property of Novel Central Nervous System-Targeting HIV-1 Protease Inhibitors In Vitro. Antimicrob.Agents Chemother., 66, 2022
6V6M	Crystal structure of an inactive state of GMPPNP-bound RhoA 分子名称: 1,4-DIETHYLENE DIOXIDE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... 著者 Lin, Y, Zheng, Y. 登録日 2019-12-05 公開日 2020-12-09 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 Structure of an inactive conformation of GTP-bound RhoA GTPase. Structure, 29, 2021
6V6U	Crystal structure of RhoA-GDP with novel Switch I conformation 分子名称: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Lin, Y, Zheng, Y. 登録日 2019-12-06 公開日 2020-12-23 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.16 Å) 主引用文献 Structure of an inactive conformation of GTP-bound RhoA GTPase. Structure, 29, 2021
3EQB	X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... 著者 Ohren, J.F, Pavlovsky, A, Zhang, E. 登録日 2008-09-30 公開日 2008-11-11 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.62 Å) 主引用文献 2-Alkylamino- and alkoxy-substituted 2-amino-1,3,4-oxadiazoles-O-Alkyl benzohydroxamate esters replacements retain the desired inhibition and selectivity against MEK (MAP ERK kinase). Bioorg.Med.Chem.Lett., 18, 2008
3EV3	Crystal Structure of Ribonuclease A in 70% t-Butanol 分子名称: Ribonuclease pancreatic, TERTIARY-BUTYL ALCOHOL 著者 Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C. 登録日 2008-10-12 公開日 2009-06-23 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Multiple solvent crystal structures of ribonuclease A: An assessment of the method Proteins, 76, 2009
3ETQ	X-ray structure of cysteine-free fragment of mHCN2 C-terminal region from amino acids 443-630 including C508N, C584S, and C601S mutations 分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 著者 Flynn, G.E. 登録日 2008-10-08 公開日 2009-06-23 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Mapping the structure and conformational movements of proteins with transition metal ion FRET. Nat.Methods, 6, 2009
5ER2	High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor. the analysis of the inhibitor binding and description of the rigid body shift in the enzyme 分子名称: 6-ammonio-N-{[(2R,3R)-3-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-L-norleucyl-L-phenylalanine, ENDOTHIAPEPSIN 著者 Sali, A, Veerapandian, B, Cooper, J.B, Foundling, S.I, Hoover, D.J, Blundell, T.L. 登録日 1991-01-02 公開日 1991-04-15 最終更新日 2017-11-29 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor: the analysis of the inhibitor binding and description of the rigid body shift in the enzyme. EMBO J., 8, 1989
3E3B	Crystal structure of catalytic subunit of human protein kinase CK2alpha prime with a potent indazole-derivative inhibitor 分子名称: Casein kinase II subunit alpha', [1-(6-{6-[(1-methylethyl)amino]-1H-indazol-1-yl}pyrazin-2-yl)-1H-pyrrol-3-yl]acetic acid 著者 Kinoshita, T, Nakaniwa, T, Tada, T. 登録日 2008-08-07 公開日 2009-03-03 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Structure of human protein kinase CK2alpha2 with a potent indazole-derivative inhibitor Acta Crystallogr.,Sect.F, 65, 2009
6VDW	Crystal Structure of Dehaloperoxidase B in Complex with cofactor Manganese(III) Porphyrin and Substrate 4-nitrophenol 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dehaloperoxidase B, ... 著者 Ghiladi, R.A, de Serrano, V.S, McGuire, A, Malewschik, T. 登録日 2019-12-27 公開日 2020-12-30 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme To Be Published
5ESG	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73E mutant complexed with itraconazole 分子名称: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. 登録日 2015-11-16 公開日 2016-11-23 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.981 Å) 主引用文献 Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase. Antimicrob.Agents Chemother., 62, 2018
3E5L	Crystal structure of CYP105P1 H72A mutant 分子名称: Cytochrome P450 (Cytochrome P450 hydroxylase), PROTOPORPHYRIN IX CONTAINING FE 著者 Xu, L.H, Fushinobu, S, Ikeda, H, Wakagi, T, Shoun, H. 登録日 2008-08-14 公開日 2008-12-30 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structures of cytochrome P450 105P1 from Streptomyces avermitilis: conformational flexibility and histidine ligation state J.Bacteriol., 191, 2009
6I2B	Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp153 and RKp117 分子名称: UPF0418 protein FAM164A, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, beta-D-ribopyranose, ... 著者 Mueller, J.M, Heine, A, Klebe, G. 登録日 2018-11-01 公開日 2019-05-15 最終更新日 2021-03-17 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage Acs Omega, 2019
5EKN	Crystal structure of MAPK13 complex with inhibitor 分子名称: 1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-[4-(pyridin-4-ylsulfanyl)phenyl]urea, Mitogen-activated protein kinase 13 著者 Brett, T.J, Miller, C.A, Yurtsever, Z. 登録日 2015-11-03 公開日 2016-07-06 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.594 Å) 主引用文献 First comprehensive structural and biophysical analysis of MAPK13 inhibitors targeting DFG-in and DFG-out binding modes. Biochim.Biophys.Acta, 1860, 2016
3EJH	Crystal Structure of the Fibronectin 8-9FnI Domain Pair in Complex with a Type-I Collagen Peptide 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Collagen type-I a1 chain, Fibronectin, ... 著者 Erat, M.C, Lowe, E.D, Campbell, I.D, Vakonakis, I. 登録日 2008-09-18 公開日 2009-02-03 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Identification and structural analysis of type I collagen sites in complex with fibronectin fragments. Proc.Natl.Acad.Sci.USA, 106, 2009
6I4V	Alpha-1-antitrypsin Queen's (K154N) variant 分子名称: 3-trimethylsilylpropane-1-sulfonic acid, Alpha-1-antitrypsin, GLYCINE 著者 Aldobiyan, I, Lomas, D.A, Irving, J.A. 登録日 2018-11-12 公開日 2019-11-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Structural determinants of instability in alpha-1-antitrypsin To Be Published
5EM4	Structure of CYP2B4 F244W in a ligand free conformation 分子名称: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE 著者 Shah, M.B, Stout, C.D, Halpert, J.R. 登録日 2015-11-05 公開日 2016-03-23 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3.02 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

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