6MJD
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![BU of 6mjd by Molmil](/molmil-images/mine/6mjd) | NMR Solution structure of GIIIC | 分子名称: | ARG-ASP-CYS-CYS-THR-HYP-HYP-LYS-LYS-CYS-LYS-ASP-ARG-ARG-CYS-LYS-HYP-LEU-LYS-CYS-CYS-ALA-NH2 | 著者 | Harvey, P.J, Durek, T, Craik, D.J. | 登録日 | 2018-09-20 | 公開日 | 2018-11-28 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR Structure of mu-Conotoxin GIIIC: Leucine 18 Induces Local Repacking of the N-Terminus Resulting in Reduced NaVChannel Potency. Molecules, 23, 2018
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8FZR
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6MUT
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![BU of 6mut by Molmil](/molmil-images/mine/6mut) | Cryo-EM structure of ternary Csm-crRNA-target RNA with anti-tag sequence complex in type III-A CRISPR-Cas system | 分子名称: | RNA (5'-R(*GP*UP*GP*GP*AP*AP*AP*GP*GP*CP*GP*GP*GP*CP*AP*GP*AP*GP*GP*C)-3'), RNA (5'-R(P*CP*CP*UP*CP*UP*GP*CP*CP*CP*GP*CP*CP*UP*UP*UP*CP*CP*AP*C)-3'), Uncharacterized protein Csm1, ... | 著者 | Jia, N, Wang, C, Eng, E.T, Patel, D.J. | 登録日 | 2018-10-23 | 公開日 | 2018-12-12 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Type III-A CRISPR-Cas Csm Complexes: Assembly, Periodic RNA Cleavage, DNase Activity Regulation, and Autoimmunity. Mol. Cell, 73, 2019
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1FQ7
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![BU of 1fq7 by Molmil](/molmil-images/mine/1fq7) | X-RAY STRUCTURE OF INHIBITOR CP-72,647 BOUND TO SACCHAROPEPSIN | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-(tert-butoxycarbonyl)-L-phenylalanyl-N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-7-methyl-5-(methylcarbamoyl)octan-2-yl]-L-histidinamide, SACCHAROPEPSIN, ... | 著者 | Cronin, N.B, Badasso, M.O, Tickle, I.J, Dreyer, T, Hoover, D.J, Rosati, R.L, Humblet, C.C, Lunney, E.A, Cooper, J.B. | 登録日 | 2000-09-04 | 公開日 | 2000-09-20 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | X-ray structures of five renin inhibitors bound to saccharopepsin: exploration of active-site specificity. J.Mol.Biol., 303, 2000
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5XZE
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![BU of 5xze by Molmil](/molmil-images/mine/5xze) | Mouse cGAS bound to the inhibitor RU332 | 分子名称: | (3R)-3-[1-(3H-1lambda~4~,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one, Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*G)-3'), ... | 著者 | Vincent, J, Adura, C, Gao, P, Luz, A, Lama, L, Asano, Y, Okamoto, R, Imaeda, T, Aida, J, Rothamel, K, Gogakos, T, Steinberg, J, Reasoner, S, Aso, K, Tuschl, T, Patel, D.J, Glickman, J.F, Ascano, M. | 登録日 | 2017-07-12 | 公開日 | 2017-10-11 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.177 Å) | 主引用文献 | Small molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice. Nat Commun, 8, 2017
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5PGM
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6N4N
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![BU of 6n4n by Molmil](/molmil-images/mine/6n4n) | Crystal structure of the designed protein DNCR2/danoprevir/NS3a complex | 分子名称: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, NS3 protease, Rosetta-designed danoprevir/NS3a complex reader 2, ... | 著者 | Wang, Z, Foight, G.W, Baker, D, Maly, D.J. | 登録日 | 2018-11-19 | 公開日 | 2019-09-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Multi-input chemical control of protein dimerization for programming graded cellular responses. Nat.Biotechnol., 37, 2019
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6MVQ
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![BU of 6mvq by Molmil](/molmil-images/mine/6mvq) | HCV NS5B 1b N316 bound to Compound 31 | 分子名称: | (4-{1-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-1H-1,2,4-triazol-5-yl}-2-fluorophenyl)boronic acid, HCV Polymerase | 著者 | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | 登録日 | 2018-10-26 | 公開日 | 2019-09-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor. J.Med.Chem., 62, 2019
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6MD0
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6MXZ
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![BU of 6mxz by Molmil](/molmil-images/mine/6mxz) | Structure of 53BP1 Tudor domains in complex with small molecule UNC3474 | 分子名称: | FORMIC ACID, N-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide, TP53-binding protein 1 | 著者 | Cui, G, Botuyan, M.V, Schuller, D.J, Mer, G. | 登録日 | 2018-10-31 | 公開日 | 2019-11-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | An autoinhibited state of 53BP1 revealed by small molecule antagonists and protein engineering. Nat Commun, 14, 2023
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6MRK
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6MJX
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![BU of 6mjx by Molmil](/molmil-images/mine/6mjx) | human cGAS catalytic domain bound with cGAMP | 分子名称: | Cyclic GMP-AMP synthase, ZINC ION, cGAMP | 著者 | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | 登録日 | 2018-09-23 | 公開日 | 2019-05-29 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression. Nat Commun, 10, 2019
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1G66
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![BU of 1g66 by Molmil](/molmil-images/mine/1g66) | ACETYLXYLAN ESTERASE AT 0.90 ANGSTROM RESOLUTION | 分子名称: | ACETYL XYLAN ESTERASE II, GLYCEROL, SULFATE ION | 著者 | Ghosh, D, Sawicki, M, Lala, P, Erman, M, Pangborn, W, Eyzaguirre, J, Gutierrez, R, Jornvall, H, Thiel, D.J. | 登録日 | 2000-11-03 | 公開日 | 2001-01-17 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (0.9 Å) | 主引用文献 | Multiple conformations of catalytic serine and histidine in acetylxylan esterase at 0.90 A. J.Biol.Chem., 276, 2001
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6MJU
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![BU of 6mju by Molmil](/molmil-images/mine/6mju) | human cGAS catalytic domain bound with the inhibitor G108 | 分子名称: | 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one, Cyclic GMP-AMP synthase, ZINC ION | 著者 | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | 登録日 | 2018-09-22 | 公開日 | 2019-05-29 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression. Nat Commun, 10, 2019
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6MUU
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![BU of 6muu by Molmil](/molmil-images/mine/6muu) | Cryo-EM structure of Csm-crRNA binary complex in type III-A CRISPR-Cas system | 分子名称: | RNA (25-MER), Uncharacterized protein Csm1, Uncharacterized protein Csm2, ... | 著者 | Jia, N, Wang, C, Eng, E.T, Patel, D.J. | 登録日 | 2018-10-23 | 公開日 | 2018-12-19 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Type III-A CRISPR-Cas Csm Complexes: Assembly, Periodic RNA Cleavage, DNase Activity Regulation, and Autoimmunity. Mol. Cell, 73, 2019
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6MVP
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![BU of 6mvp by Molmil](/molmil-images/mine/6mvp) | HCV NS5B 1b N316 bound to Compound 18 | 分子名称: | (4-{[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}phenyl)boronic acid, Genome polyprotein | 著者 | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | 登録日 | 2018-10-26 | 公開日 | 2019-09-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor. J.Med.Chem., 62, 2019
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6MVO
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![BU of 6mvo by Molmil](/molmil-images/mine/6mvo) | HCV NS5B 1A Y316 bound to Compound 49 | 分子名称: | 6-[(7-chloro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase, SULFATE ION | 著者 | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | 登録日 | 2018-10-26 | 公開日 | 2019-09-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor. J.Med.Chem., 62, 2019
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6MVK
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![BU of 6mvk by Molmil](/molmil-images/mine/6mvk) | HCV NS5B 1b N316 bound to Compound 18 | 分子名称: | (4-{(4S)-3-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-2-oxo-1,3-oxazolidin-4-yl}-2-fluorophenyl)boronic acid, HCV Polymerase | 著者 | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | 登録日 | 2018-10-26 | 公開日 | 2019-09-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor. J.Med.Chem., 62, 2019
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2MNR
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1JAK
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![BU of 1jak by Molmil](/molmil-images/mine/1jak) | Streptomyces plicatus beta-N-acetylhexosaminidase in Complex with (2R,3R,4S,5R)-2-acetamido-3,4-dihydroxy-5-hydroxymethyl-piperidinium chloride (IFG) | 分子名称: | (2R,3R,4S,5R)-2-ACETAMIDO-3,4-DIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, Beta-N-acetylhexosaminidase, CHLORIDE ION, ... | 著者 | Mark, B.L, Vocadlo, D.J, Zhao, D, Knapp, S, Withers, S.G, James, M.N. | 登録日 | 2001-05-30 | 公開日 | 2001-11-21 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Biochemical and structural assessment of the 1-N-azasugar GalNAc-isofagomine as a potent family 20 beta-N-acetylhexosaminidase inhibitor. J.Biol.Chem., 276, 2001
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1JJ2
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![BU of 1jj2 by Molmil](/molmil-images/mine/1jj2) | Fully Refined Crystal Structure of the Haloarcula marismortui Large Ribosomal Subunit at 2.4 Angstrom Resolution | 分子名称: | 23S RRNA, 5S RRNA, CADMIUM ION, ... | 著者 | Klein, D.J, Schmeing, T.M, Moore, P.B, Steitz, T.A. | 登録日 | 2001-07-03 | 公開日 | 2001-08-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The kink-turn: a new RNA secondary structure motif. EMBO J., 20, 2001
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1JSD
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![BU of 1jsd by Molmil](/molmil-images/mine/1jsd) | CRYSTAL STRUCTURE OF SWINE H9 HAEMAGGLUTININ | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ (HA1 CHAIN), ... | 著者 | Ha, Y, Steven, D.J, Skehel, J.J, Wiley, D.C. | 登録日 | 2001-08-17 | 公開日 | 2001-09-26 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | H5 avian and H9 swine influenza virus haemagglutinin structures: possible origin of influenza subtypes. EMBO J., 21, 2002
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2VCE
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![BU of 2vce by Molmil](/molmil-images/mine/2vce) | Characterization and engineering of the bifunctional N- and O- glucosyltransferase involved in xenobiotic metabolism in plants | 分子名称: | 1,2-ETHANEDIOL, 2,4,5-trichlorophenol, HYDROQUINONE GLUCOSYLTRANSFERASE, ... | 著者 | Brazier-Hicks, M, Offen, W.A, Gershater, M.C, Revett, T.J, Lim, E.K, Bowles, D.J, Davies, G.J, Edwards, R. | 登録日 | 2007-09-20 | 公開日 | 2007-10-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Characterization and Engineering of the Bifunctional N- and O-Glucosyltransferase Involved in Xenobiotic Metabolism in Plants. Proc.Natl.Acad.Sci.USA, 104, 2007
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1YN4
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![BU of 1yn4 by Molmil](/molmil-images/mine/1yn4) | Crystal Structures of EAP Domains from Staphylococcus aureus Reveal an Unexpected Homology to Bacterial Superantigens | 分子名称: | EapH1, ZINC ION | 著者 | Geisbrecht, B.V, Hamaoka, B.Y, Perman, B, Zemla, A, Leahy, D.J. | 登録日 | 2005-01-23 | 公開日 | 2005-03-01 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The Crystal Structures of EAP Domains from Staphylococcus aureus Reveal an Unexpected Homology to Bacterial Superantigens. J.Biol.Chem., 280, 2005
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6Q0B
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![BU of 6q0b by Molmil](/molmil-images/mine/6q0b) | Poliovirus (Type 1 Mahoney), receptor-catalysed 135S particle incubated with anti-VP1 mAb at RT for 1 hr | 分子名称: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | 著者 | Hogle, J.M, Filman, D.J, Shah, P.N.M. | 登録日 | 2019-08-01 | 公開日 | 2020-08-05 | 最終更新日 | 2022-12-21 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Cryo-EM structures reveal two distinct conformational states in a picornavirus cell entry intermediate. Plos Pathog., 16, 2020
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