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

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6PIM	Crystal Structure of Human Protocadherin-1 EC3-4 分子名称: CALCIUM ION, Protocadherin-1 著者 Modak, D, Sotomayor, M. 登録日 2019-06-26 公開日 2019-10-09 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3.05 Å) 主引用文献 Identification of an adhesive interface for the non-clustered delta 1 protocadherin-1 involved in respiratory diseases. Commun Biol, 2, 2019
6PJD	HIV-1 Protease NL4-3 WT in Complex with LR2-32 分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION 著者 Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. 登録日 2019-06-28 公開日 2020-07-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.892 Å) 主引用文献 Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere. J.Med.Chem., 63, 2020
6PJM	HIV-1 Protease NL4-3 WT in Complex with LR2-35 分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION 著者 Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. 登録日 2019-06-28 公開日 2020-07-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere. J.Med.Chem., 63, 2020
8TDP	Time-resolved SFX-XFEL crystal structure of CYP121 bound with cYY reacted with peracetic acid for 200 milliseconds 分子名称: (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, HYDROGEN PEROXIDE, Mycocyclosin synthase, ... 著者 Nguyen, R.C, Dasgupta, M, Bhowmick, A, Kern, J.F, Liu, A. 登録日 2023-07-04 公開日 2023-11-22 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121. J.Am.Chem.Soc., 145, 2023
6PKL	MicroED structure of proteinase K from an uncoated, single lamella at 2.59A resolution (#7) 分子名称: Proteinase K 著者 Martynowycz, M.W, Zhao, W, Hattne, J, Jensen, G.J, Gonen, T. 登録日 2019-06-29 公開日 2019-09-04 最終更新日 2019-12-18 実験手法 ELECTRON CRYSTALLOGRAPHY (2.59 Å) 主引用文献 Qualitative Analyses of Polishing and Precoating FIB Milled Crystals for MicroED. Structure, 27, 2019
4Y35	Endothiapepsin in complex with fragment 290 分子名称: 4-chlorobenzyl carbamimidothioate, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Wang, X, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-03-02 実験手法 X-RAY DIFFRACTION (1.457 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
6PKT	MicroED structure of proteinase K from merging low-dose, platinum pre-coated lamellae at 1.85A resolution (LDPT) 分子名称: Proteinase K 著者 Martynowycz, M.W, Zhao, W, Hattne, J, Jensen, G.J, Gonen, T. 登録日 2019-06-29 公開日 2019-09-04 最終更新日 2019-12-18 実験手法 ELECTRON CRYSTALLOGRAPHY (1.85 Å) 主引用文献 Qualitative Analyses of Polishing and Precoating FIB Milled Crystals for MicroED. Structure, 27, 2019
6P9A	HIV-1 Protease multiple mutant PRS5B with Darunavir 分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, HIV-1 Protease, PHOSPHATE ION 著者 Kneller, D.W, Agniswamy, J, Weber, I.T. 登録日 2019-06-10 公開日 2020-04-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 Highly drug-resistant HIV-1 protease reveals decreased intra-subunit interactions due to clusters of mutations. Febs J., 287, 2020
6P8X	Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor. 分子名称: 2-[4-bromo-2-(3-phenyl-2,5-dihydro-1H-pyrrole-1-carbonyl)phenoxy]-N-(1-propanoylazetidin-3-yl)acetamide, CALCIUM ION, GTPase KRas, ... 著者 Mohr, C. 登録日 2019-06-08 公開日 2019-08-28 最終更新日 2019-10-02 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Discovery ofN-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C. Acs Med.Chem.Lett., 10, 2019
6P9O	Poliovirus 135S-like expanded particle in complex with a monoclonal antibody directed against the N-terminal extension of capsid protein VP1 分子名称: VP1, VP2, VP3 著者 Hogle, J.M, Filman, D.J, Shah, P.N.M. 登録日 2019-06-10 公開日 2020-06-10 最終更新日 2020-10-21 実験手法 ELECTRON MICROSCOPY (2.9 Å) 主引用文献 Cryo-EM structures reveal two distinct conformational states in a picornavirus cell entry intermediate. Plos Pathog., 16, 2020
4XDX	The crystal structure of soluble human interleukin 8 expressed in Pichia pastoris 分子名称: Interleukin-8 著者 Ostrov, D.A, Pompeu, Y.A, Jakoncic, J.J. 登録日 2014-12-20 公開日 2015-12-23 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (0.95 Å) 主引用文献 The crystal structure of soluble human interleukin 8 expressed in Pichia pastoris To Be Published
8TUI	Crystal structure of Fab-Lirilumab bound to KIR2DL3 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Killer cell immunoglobulin-like receptor 2DL3, Lirilumab Fab Heavy Chain, ... 著者 Lorig-Roach, N, DuBois, R.M. 登録日 2023-08-16 公開日 2023-12-06 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Structural basis for the activity and specificity of the immune checkpoint inhibitor lirilumab. Sci Rep, 14, 2024
4XJF	X-ray structure of Lysozyme B1 分子名称: BROMIDE ION, Lysozyme C, SODIUM ION 著者 Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. 登録日 2015-01-08 公開日 2015-06-03 最終更新日 2015-06-17 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 In meso in situ serial X-ray crystallography of soluble and membrane proteins. Acta Crystallogr.,Sect.D, 71, 2015
3KFN	HIV Protease (PR) with inhibitor TL-3 and fragment hit 4D9 by soaking 分子名称: (1S,2S)-2-methylcyclohexanol, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ... 著者 Stout, C.D. 登録日 2009-10-27 公開日 2010-02-23 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Fragment-based screen against HIV protease. Chem.Biol.Drug Des., 75, 2010
6PDP	Human PIM1 bound to benzothiophene inhibitor 379 分子名称: 5-[2-(acetylamino)-1-benzothiophen-4-yl]-N-cyclopropylthiophene-2-carboxamide, Peptide, SULFATE ION, ... 著者 Godoi, P.H.C, Sriranganadane, D, Santiago, A.S, Fala, A.M, Ramos, P.Z, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) 登録日 2019-06-19 公開日 2019-07-24 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Human PIM1 To Be Published
3KBF	C. elegans Cu,Zn Superoxide Dismutase 分子名称: COPPER (II) ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ... 著者 Pakhomova, O.N, Taylor, A.B, Schuermann, J.P, Culotta, V.L, Hart, P.J. 登録日 2009-10-20 公開日 2010-11-03 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 X-ray Crystal Structure of C. elegans Cu,Zn Superoxide Dismutase To be Published
8TUC	Unphosphorylated CaMKK2 in complex with CC-8977 分子名称: (4M)-2-cyclopentyl-4-(7-ethoxyquinazolin-4-yl)benzoic acid, 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase kinase 2, ... 著者 Bernard, S.M, Shanmugasundaram, V, D'Agostino, L. 登録日 2023-08-16 公開日 2023-12-13 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Identification of Small Molecule Inhibitors and Ligand Directed Degraders of Calcium/Calmodulin Dependent Protein Kinase Kinase 1 and 2 (CaMKK1/2). J.Med.Chem., 66, 2023
6PJG	HIV-1 Protease NL4-3 WT in Complex with LR3-97 分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-alanyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3 著者 Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. 登録日 2019-06-28 公開日 2020-07-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere. J.Med.Chem., 63, 2020
4XO0	Crystal structure of 5'-CTTATPPTAZZATAAG in a host-guest complex 分子名称: DNA (5'-D(*CP*TP*TP*AP*TP*(1WA)P*(1WA)P*T)-3'), DNA (5'-D(P*AP*(1W5)P*(1W5)P*AP*TP*AP*AP*G)-3'), reverse transcriptase 著者 Georgiadis, M.M, Singh, I. 登録日 2015-01-16 公開日 2015-05-27 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural basis for a six nucleotide genetic alphabet. J. Am. Chem. Soc., 137, 2015
6PKN	MicroED structure of proteinase K from an unpolished, platinum-coated, single lamella at 2.08A resolution (#9) 分子名称: Proteinase K 著者 Martynowycz, M.W, Zhao, W, Hattne, J, Jensen, G.J, Gonen, T. 登録日 2019-06-29 公開日 2019-09-04 最終更新日 2019-12-18 実験手法 ELECTRON CRYSTALLOGRAPHY (2.08 Å) 主引用文献 Qualitative Analyses of Polishing and Precoating FIB Milled Crystals for MicroED. Structure, 27, 2019
3KD0	Human thioredoxin C35S,C62S,C69S,C73S mutant showing cadmium chloride bound to the active site 分子名称: CADMIUM ION, CHLORIDE ION, Thioredoxin 著者 Hall, G, Emsley, J. 登録日 2009-10-22 公開日 2010-12-01 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 The 1.7 A resolution crystal structure of a cadmium chloride complex with the active site of a mutant human thioredoxin To be Published
4XLT	Crystal structure of response regulator receiver protein from Dyadobacter fermentans DSM 18053 分子名称: Response regulator receiver protein 著者 Chang, C, Cuff, M, Holowicki, J, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) 登録日 2015-01-13 公開日 2015-01-28 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structure of response regulator receiver protein from Dyadobacter fermentans DSM 18053 To Be Published
6PKJ	MicroED structure of proteinase K from an uncoated, single lamella at 2.17A resolution (#2) 分子名称: Proteinase K 著者 Martynowycz, M.W, Zhao, W, Hattne, J, Jensen, G.J, Gonen, T. 登録日 2019-06-29 公開日 2019-09-04 最終更新日 2019-12-18 実験手法 ELECTRON CRYSTALLOGRAPHY (2.176 Å) 主引用文献 Qualitative Analyses of Polishing and Precoating FIB Milled Crystals for MicroED. Structure, 27, 2019
6PQD	The crystal structure of 3-methylthiobenzoate-bound CYP199A4 分子名称: 3-(methylsulfanyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Podgorski, M.N, Bruning, J.B, Bell, S.G. 登録日 2019-07-09 公開日 2019-11-27 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions. J.Inorg.Biochem., 203, 2019
4XN6	Crystal structure at room temperature of hen-egg lysozyme in complex with benzamidine 分子名称: BENZAMIDINE, Lysozyme C 著者 Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. 登録日 2015-01-15 公開日 2015-08-12 最終更新日 2021-08-04 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015

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