PDB: 36939 件ウェブページステータス検索Chemie searchBIRD

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5DYP	Crystal structure of Asp251Gly/Gln307His mutant of cytochrome P450 BM3 分子名称: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE 著者 Di Nardo, G, Dell'Angelo, V, Gilardi, G. 登録日 2015-09-25 公開日 2016-01-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Subtle structural changes in the Asp251Gly/Gln307His P450 BM3 mutant responsible for new activity toward diclofenac, tolbutamide and ibuprofen. Arch.Biochem.Biophys., 602, 2016
5C6Y	A sperm whale myoglobin double mutant L29H/F43Y Mb with a Tyr-heme cross-link 分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE 著者 Yuan, H, Lin, Y.W, Tan, X.S. 登録日 2015-06-24 公開日 2015-11-11 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.793 Å) 主引用文献 How a novel tyrosine-heme cross-link fine-tunes the structure and functions of heme proteins: a direct comparitive study of L29H/F43Y myoglobin Dalton Trans, 44, 2015
5C65	Structure of the human glucose transporter GLUT3 / SLC2A3 分子名称: CHOLESTEROL HEMISUCCINATE, Octyl Glucose Neopentyl Glycol, Solute carrier family 2, ... 著者 Pike, A.C.W, Quigley, A, Chu, A, Tessitore, A, Xia, X, Mukhopadhyay, S, Wang, D, Kupinska, K, Strain-Damerell, C, Chalk, R, Burgess-Brown, N.A, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) 登録日 2015-06-22 公開日 2015-07-08 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Structure of the human glucose transporter GLUT3 / SLC2A3 To Be Published
5C6L	Crystal Structure of Gadolinium derivative of HEWL solved using intense Free-Electron Laser radiation 分子名称: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ... 著者 Galli, L, Barends, T.R.M, Son, S.-K, White, T.A, Barty, A, Botha, S, Boutet, S, Caleman, C, Doak, R.B, Nanao, M.H, Nass, K, Shoeman, R.L, Timneanu, N, Santra, R, Schlichting, I, Chapman, H.N. 登録日 2015-06-23 公開日 2015-07-08 最終更新日 2018-11-14 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Towards phasing using high X-ray intensity. Iucrj, 2, 2015
5CHR	Dehaloperoxidase B in complex with substrate p-nitrocatechol 分子名称: 4-NITROCATECHOL, Dehaloperoxidase B, GLYCEROL, ... 著者 Carey, L, Ghiladi, R. 登録日 2015-07-10 公開日 2016-04-27 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Nonmicrobial Nitrophenol Degradation via Peroxygenase Activity of Dehaloperoxidase-Hemoglobin from Amphitrite ornata. Biochemistry, 55, 2016
5CDW	Crystal Structure Analysis of a mutant Grb2 SH2 domain (W121G) with a pYVNV peptide 分子名称: Growth factor receptor-bound protein 2, SER-PTR-VAL-ASN-VAL-GLN 著者 Papaioannou, D, Geibel, S, Kunze, M, Kay, C, Waksman, G. 登録日 2015-07-05 公開日 2016-05-25 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.602 Å) 主引用文献 Structural and biophysical investigation of the interaction of a mutant Grb2 SH2 domain (W121G) with its cognate phosphopeptide. Protein Sci., 25, 2016
5CHQ	Dehaloperoxidase B in complex with substrate p-nitrophenol 分子名称: Dehaloperoxidase B, GLYCEROL, P-NITROPHENOL, ... 著者 Carey, L, Ghiladi, R. 登録日 2015-07-10 公開日 2016-04-27 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Nonmicrobial Nitrophenol Degradation via Peroxygenase Activity of Dehaloperoxidase-Hemoglobin from Amphitrite ornata. Biochemistry, 55, 2016
5CJ2	Ran GDP Y39A mutant triclinic crystal form 分子名称: GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Vetter, I.R, Brucker, S. 登録日 2015-07-13 公開日 2015-09-09 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Catalysis of GTP Hydrolysis by Small GTPases at Atomic Detail by Integration of X-ray Crystallography, Experimental, and Theoretical IR Spectroscopy. J.Biol.Chem., 290, 2015
5COP	X-ray crystal structure of wild type HIV-1 protease in complex with GRL-097 分子名称: (3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-(4-methoxyphenyl)butan-2-yl]carbamate, HIV-1 protease 著者 Yedidi, R.S, Hayashi, H, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H. 登録日 2015-07-20 公開日 2016-01-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 C-5-Modified Tetrahydropyrano-Tetrahydofuran-Derived Protease Inhibitors (PIs) Exert Potent Inhibition of the Replication of HIV-1 Variants Highly Resistant to Various PIs, including Darunavir. J.Virol., 90, 2015
5CN8	Ultrafast dynamics in myoglobin: 0.3 ps time delay 分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. 登録日 2015-07-17 公開日 2015-09-16 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
5CNF	Ultrafast dynamics in myoglobin: 50 ps time delay 分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. 登録日 2015-07-17 公開日 2015-09-16 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
5COK	X-ray crystal structure of wild type HIV-1 protease in complex with GRL-0476 分子名称: (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, HIV-1 protease 著者 Yedidi, R.S, Hayashi, H, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H. 登録日 2015-07-20 公開日 2016-01-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.801 Å) 主引用文献 C-5-Modified Tetrahydropyrano-Tetrahydofuran-Derived Protease Inhibitors (PIs) Exert Potent Inhibition of the Replication of HIV-1 Variants Highly Resistant to Various PIs, including Darunavir. J.Virol., 90, 2015
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
5DL9	Structure of Tetragonal Lysozyme in complex with Iodine solved by UWO Students 分子名称: 1,2-ETHANEDIOL, ACETATE ION, IODIDE ION, ... 著者 Bednarski, R, Cirricione, N, Greco, A, Hodgson, R, Kent, S, McGowan, J, Notherm, B, Patt, M, Vue, L, Bianchetti, C.M. 登録日 2015-09-04 公開日 2015-09-16 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 Structure of Tetragonal Lysozyme in complex with Iodine solved by UWO Students To Be Published
5DQ1	Endothiapepsin in complex with fragment 34 分子名称: 1,2-ETHANEDIOL, 3-[(cyclopropylamino)methyl]-8-ethylquinolin-2(1H)-one, Endothiapepsin, ... 著者 Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G. 登録日 2015-09-14 公開日 2016-09-28 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.489 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
5DQC	Co-crystal of BACE1 with compound 0211 分子名称: Beta-secretase 1, N-[(2S,3R)-3-hydroxy-4-({(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide 著者 Ghosh, A.K, Bhavanam, S.R, Yen, T.-C, Cardenas, E.L, Rao, K.V, Downs, D, Huang, X, Tang, J, Mescar, A.D. 登録日 2015-09-14 公開日 2016-02-17 最終更新日 2016-07-13 実験手法 X-RAY DIFFRACTION (2.4651 Å) 主引用文献 Design of Potent and Highly Selective Inhibitors for Human beta-Secretase 2 (Memapsin 1), a Target for Type 2 Diabetes. Chem Sci, 7, 2016
5DS2	Core domain of the class I small heat-shock protein HSP 18.1 from Pisum sativum 分子名称: 18.1 kDa class I heat shock protein, SULFATE ION 著者 Shepherd, D.A, Laganowsky, A, Allison, T.M, Hochberg, G.K.A, Benesch, J.L.P. 登録日 2015-09-16 公開日 2016-09-28 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structural principles that enable oligomeric small heat-shock protein paralogs to evolve distinct functions. Science, 359, 2018
5E0E	Crystal Structure of Cytochrome P450 2B37 from Desert Woodrat in complex with 4-(4-chlorophenyl)imidazole 分子名称: 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 family 2 subfamily B, PROTOPORPHYRIN IX CONTAINING FE 著者 Shah, M.B, Halpert, J.R, Stout, C.D. 登録日 2015-09-28 公開日 2016-02-10 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3.4 Å) 主引用文献 Structure-Function Analysis of Mammalian CYP2B Enzymes Using 7-Substituted Coumarin Derivatives as Probes: Utility of Crystal Structures and Molecular Modeling in Understanding Xenobiotic Metabolism. Mol.Pharmacol., 89, 2016
5DLA	Structure of Tetragonal Lysozyme solved by UWO Students 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C 著者 Bednarski, R, Cirricione, N, Greco, A, Hodgson, R, Kent, S, McGowan, J, Notherm, B, Patt, M, Vue, L, Bianchetti, C.M. 登録日 2015-09-04 公開日 2015-09-16 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.22 Å) 主引用文献 Structure of Tetragonal Lysozyme in complex with Iodine solved by UWO Students To Be Published
5DMI	Structure of the extracellular domain of the CD40 in complex with CHI220 FAB 分子名称: Chi220 Fab heavy chain, Chi220 Fab light chain, SULFATE ION, ... 著者 Sheriff, S. 登録日 2015-09-08 公開日 2016-06-01 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3.69 Å) 主引用文献 Functional Antagonism of Human CD40 Achieved by Targeting a Unique Species-Specific Epitope. J.Mol.Biol., 428, 2016
5E9Z	Cytochrome P450 BM3 mutant M11 分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Bifunctional cytochrome P450/NADPH--P450 reductase, FE (II) ION, ... 著者 Capoferri, L, Leth, R, ter Haar, E, Mohanty, A.K, Grootenhuis, D.J, Vottero, E, Commandeur, J.N.M, Vermeulen, N.P.E, Jorgensen, F.S, Olsen, L, Geerke, D.P. 登録日 2015-10-15 公開日 2016-01-27 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations. Proteins, 84, 2016
5DK1	S. erythraea trypsin mixed catalytic intermediate 分子名称: Trypsin 著者 Blankenship, E, Lodowski, D.T. 登録日 2015-09-02 公開日 2017-03-08 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (0.938 Å) 主引用文献 High resolution structures of S. erythraeus trypsin throughout the catalytic cycle To be Published
5DPQ	Crystal Structure of E72A mutant of domain swapped dimer Human Cellular Retinol Binding Protein 分子名称: ACETATE ION, Retinol-binding protein 2 著者 Assar, Z, Nossoni, Z, Wang, W, Geiger, J.H, Borhan, B. 登録日 2015-09-14 公開日 2016-09-14 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.775 Å) 主引用文献 Domain-Swapped Dimers of Intracellular Lipid-Binding Proteins: Evidence for Ordered Folding Intermediates. Structure, 24, 2016
5DR8	Endothiapepsin in complex with fragment 330 分子名称: 2-chlorobenzohydrazide, ACETATE ION, Endothiapepsin, ... 著者 Heine, A, Knoerlein, A, Schiebel, J, Klebe, G. 登録日 2015-09-15 公開日 2016-09-28 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
5E5F	X-ray structure of the complex between RNase A and compound 4-PF6 ([(PPh3)Au(mi-pbi)Pt(Me)(DMSO)][PF6]), the heterobimetallic derivative obtained in the reaction between the organometallic compound [Pt(pbi)(Me)(DMSO)], pbi=2-(2'-pyridil)benzimidazole (compound 3) and the gold(I) compound [Au(Ph3P)][PF6] 分子名称: ACETATE ION, GOLD ION, Ribonuclease pancreatic, ... 著者 Merlino, A. 登録日 2015-10-08 公開日 2015-12-09 最終更新日 2019-11-20 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Cytotoxic properties of a new organometallic platinum(ii) complex and its gold(i) heterobimetallic derivatives. Dalton Trans, 45, 2015

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