PDB: 37084 件ウェブページステータス検索Chemie searchBIRD

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3DY0	Crystal Structure of Cleaved PCI Bound to Heparin 分子名称: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, C-terminus Plasma serine protease inhibitor, GLYCEROL, ... 著者 Li, W, Huntington, J.A. 登録日 2008-07-25 公開日 2008-10-28 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 The heparin binding site of protein C inhibitor is protease-dependent. J.Biol.Chem., 283, 2008
3E0P	The X-ray structure of Human Prostasin in complex with a covalent benzoxazole inhibitor 分子名称: GLYCEROL, Prostasin, benzyl [(1R)-1-({(2S,4R)-2-({(1S)-5-amino-1-[(S)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-4-[(4-methylbenzyl)oxy]pyrrolidin-1-yl}carbonyl)-3-phenylpropyl]carbamate 著者 Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. 登録日 2008-07-31 公開日 2008-09-09 最終更新日 2021-10-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design. Bioorg.Med.Chem.Lett., 18, 2008
4B0Q	Lead Generation of BACE1 Inhibitors by Coupling Non-amidine New Warheads to a Known Binding Scaffold 分子名称: 2-[[3-(3-methoxyphenyl)phenyl]-(4-pyridyl)methyl]guanidine, ACETATE ION, BETA-SECRETASE 1 著者 Pendrill, R, Kolmodin, K, Johansson, P, Plobeck, N. 登録日 2012-07-04 公開日 2013-07-24 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Lead Generation of Bace1 Inhibitors by Coupling Non-Amidine New Warheads to a Known Binding Scaffold To be Published
4FON	High Energy Remote SAD structure solution of Proteinase K from the 37.8 keV Tellurium K edge 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, OXYGEN ATOM, ... 著者 Jakoncic, J. 登録日 2012-06-20 公開日 2012-08-22 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Macromolecular Crystallography at High(er) Energy To be Published
4FJR	Mode of interaction of Merocyanine 540 with HEW Lysozyme 分子名称: 3-[(2E)-2-[(2Z)-4-(1,3-dibutyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2H)-yl]propane-1-sulfonic acid, CHLORIDE ION, Lysozyme C 著者 Mitra, P, Banerjee, M, Basu, S, Biswas, S. 登録日 2012-06-12 公開日 2013-07-03 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Mode of interaction of Merocyanine 540 dye with lysozyme To be Published
4IAS	HEW Lysozyme by langmuir- blodgett modified vapour diffusion 分子名称: Lysozyme C 著者 Belmonte, L, Pechkova, E, Riekel, C, Scudieri, D, Nicolini, C. 登録日 2012-12-07 公開日 2013-12-11 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Laser - microdissection of protein crystals down to submicron dimensions To be Published
3DVQ	Proteinase K by LB nanotemplate method before high X-Ray dose on ESRF ID14-2 beamline 分子名称: CALCIUM ION, Proteinase K 著者 Pechkova, E, Tripathi, S.K, Nicolini, C. 登録日 2008-07-20 公開日 2009-07-07 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.02 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
3DW1	Proteinase K by LB nanotemplate method after the third step high X-Ray dose on ESRF ID14-2 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 (1.03 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
4B7R	H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis 分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 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 Liu, J, van der Vries, E, Vachieri, S.G, Xiong, X, Collins, P.J, Walker, P.A, Haire, L.F, Hay, A.J, Schutten, M, Osterhaus, A.D.M.E, Martin, S.R, Boucher, C.A.B, Skehel, J.J, Gamblin, S.J. 登録日 2012-08-21 公開日 2012-10-03 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis Plos Pathog., 8, 2012
4FRJ	Crystal structure of BACE1 in complex with aminooxazoline xanthene 9l 分子名称: (4S)-2'-(5-chloro-2-fluorophenyl)-7'-methoxyspiro[1,3-oxazole-4,9'-xanthen]-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... 著者 Whittington, D.A, Long, A.M. 登録日 2012-06-26 公開日 2012-09-12 最終更新日 2012-12-12 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structure- and Property-Based Design of Aminooxazoline Xanthenes as Selective, Orally Efficacious, and CNS Penetrable BACE Inhibitors for the Treatment of Alzheimer's Disease. J.Med.Chem., 55, 2012
4I00	Crystal structure of influenza A neuraminidase N3-H274Y complexed with zanamivir 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ... 著者 Li, Q, Qi, J, Vavricka, C.J, Gao, G.F. 登録日 2012-11-16 公開日 2013-11-13 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Functional and structural analysis of influenza virus neuraminidase N3 offers further insight into the mechanisms of oseltamivir resistance. J.Virol., 87, 2013
4I0C	The structure of the camelid antibody cAbHuL5 in complex with human lysozyme 分子名称: CHLORIDE ION, GLYCEROL, Lysozyme C, ... 著者 De Genst, E, Chan, P.H, Pardon, E, Kumita, J.R, Christodoulou, J, Menzer, L, Chirgadze, D.Y, Robinson, C.V, Muyldermans, S, Matagne, A, Wyns, L, Dobson, C.M, Dumoulin, M. 登録日 2012-11-16 公開日 2013-10-09 最終更新日 2013-11-06 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 A nanobody binding to non-amyloidogenic regions of the protein human lysozyme enhances partial unfolding but inhibits amyloid fibril formation. J.Phys.Chem.B, 117, 2013
4FRS	Structure of BACE in complex with (S)-4-(3-chloro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)thiophen-2-yl)-1,4-dimethyl-6-oxotetrahydropyrimidin-2(1H)-iminium 分子名称: (2Z,6S)-6-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2-imino-3,6-dimethyltetrahydropyrimidin-4(1H)-one, Beta-secretase 1 著者 Orth, P. 登録日 2012-06-26 公開日 2012-08-08 最終更新日 2013-06-19 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Discovery of an Orally Available, Brain Penetrant BACE1 Inhibitor That Affords Robust CNS A(beta) Reduction ACS Med Chem Lett, 3, 2012
4I0Z	Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates 分子名称: 2-{(1S)-1-[(6-CHLORO-3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)AMINO]-2-PHENYLETHYL}-4-OXO-1,4-DIHYDROPYRIMIDINE-5-CARBONITRILE, 2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-4-oxo-1,4-dihydropyrimidine-5-carbonitrile, ZINC ION 著者 Lougheed, J.C, Brecht, E, Yao, N.H. 登録日 2012-11-19 公開日 2013-03-06 最終更新日 2013-04-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. Bioorg.Med.Chem.Lett., 23, 2013
4FM6	HIV-1 protease mutant V32I complexed with reaction intermediate 分子名称: CHLORIDE ION, GLYCEROL, HIV-1 protease, ... 著者 Shen, C.H, Weber, I.T. 登録日 2012-06-15 公開日 2012-10-17 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of HIV-1 Protease. Biochemistry, 51, 2012
4I91	Crystal Structure of Cytochrome P450 2B6 (Y226H/K262R) in complex with alpha-Pinene. 分子名称: (+)-alpha-Pinene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... 著者 Shah, M.B, Stout, C.D, Halpert, J.R. 登録日 2012-12-04 公開日 2013-07-03 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural and Thermodynamic Basis of (+)-alpha-Pinene Binding to Human Cytochrome P450 2B6. J.Am.Chem.Soc., 135, 2013
4I9R	Crystal Structure of the R111K:R132L:Y134F:T54V:R59W:A32W Mutant of the Cellular Retinoic Acid Binding Protein Type II in Complex with All-Trans Retinal at 2.6 Angstrom Resolution 分子名称: Cellular retinoic acid-binding protein 2, RETINAL 著者 Nosrati, M, Geiger, J.H. 登録日 2012-12-05 公開日 2013-10-09 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Rational Design of a Colorimetric pH Sensor from a Soluble Retinoic Acid Chaperone. J.Am.Chem.Soc., 135, 2013
4IAT	HEW Lysozyme by langmuir- blodgett modified vapour diffusion 分子名称: Lysozyme C 著者 Belmonte, L, Pechkova, E, Riekel, C, Scudieri, D, Nicolini, C. 登録日 2012-12-07 公開日 2013-12-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Laser - microdissection of protein crystals down to submicron dimensions To be Published
3DXG	Ribonuclease A- uridine 5' phosphate complex 分子名称: Ribonuclease pancreatic, URIDINE-5'-MONOPHOSPHATE 著者 Tsirkone, V.G, Dossi, K, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Kontou, M. 登録日 2008-07-24 公開日 2009-06-16 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 Inhibitor design to Ribonuclease A: The binding of two 5'phosphate uridine analogues Acta Crystallogr.,Sect.F, 2009
4B78	Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain 分子名称: (3R,5R)-3-methoxy-5-(4-methoxyphenyl)-5-(3-pyridin-3-ylphenyl)-3,4-dihydropyrrol-2-amine, BETA-SECRETASE 1 著者 Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. 登録日 2012-08-16 公開日 2013-06-26 最終更新日 2013-07-03 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
4FM8	Crystal Structure of BACE with Compound 12a 分子名称: (5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-8-[3-(propan-2-yloxy)benzyl]-2-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide, 1,2-ETHANEDIOL, Beta-secretase 1, ... 著者 Vajdos, F.F, Varghese, A.H. 登録日 2012-06-15 公開日 2012-10-03 最終更新日 2013-06-19 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Spirocyclic sulfamides as beta-secretase 1 (BACE-1) inhibitors for the treatment of Alzheimer's disease: utilization of structure based drug design, WaterMap, and CNS penetration studies to identify centrally efficacious inhibitors. J.Med.Chem., 55, 2012
4B0D	CRYSTAL STRUCTURE OF HEN EGG WHITE LYSOZYME FROM AN AUTO HARVESTED CRYSTAL 分子名称: LYSOZYME C 著者 Cipriani, F, Rower, M, Landret, C, Zander, U, Felisaz, F, Marquez, J.A. 登録日 2012-07-02 公開日 2012-10-24 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Crystal Direct: A New Method for Automated Crystal Harvesting Based on Laser-Induced Photoablation of Thin Films Acta Crystallogr.,Sect.D, 68, 2012
4IBA	Bovine beta-lactoglobulin (isoform B) in complex with dodecyl sulphate (SDS) 分子名称: DODECYL SULFATE, GLYCEROL, beta-lactoglobulin 著者 Loch, J.I, Bonarek, P, Polit, A, Swiatek, S, Dziedzicka-Wasylewska, M, Lewinski, K. 登録日 2012-12-08 公開日 2013-06-26 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 The differences in binding 12-carbon aliphatic ligands by bovine beta-lactoglobulin isoform A and B studied by isothermal titration calorimetry and X-ray crystallography J.Mol.Recognit., 26, 2013
4IBN	Crystal structure of LC9-RNase H1, a type 1 RNase H with the type 2 active-site motif 分子名称: Ribonuclease H 著者 Nguyen, T.-N, You, D.-J, Kanaya, E, Koga, Y, Kanaya, S. 登録日 2012-12-09 公開日 2013-03-20 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Crystal structure of metagenome-derived LC9-RNase H1 with atypical DEDN active site motif Febs Lett., 587, 2013
4IB7	Bovine beta-lactoglobulin (isoform A) in complex with dodecyltrimethylammonium (DTAC) 分子名称: DODECANE-TRIMETHYLAMINE, beta-lactoglobulin 著者 Loch, J.I, Bonarek, P, Polit, A, Swiatek, S, Dziedzicka-Wasylewska, M, Lewinski, K. 登録日 2012-12-08 公開日 2013-06-26 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 The differences in binding 12-carbon aliphatic ligands by bovine beta-lactoglobulin isoform A and B studied by isothermal titration calorimetry and X-ray crystallography J.Mol.Recognit., 26, 2013

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