7K0H
 
 | | 1.70 A resolution structure of SARS-CoV 3CL protease in complex with a deuterated GC376 alpha-ketoamide analog (compound 5) | | 分子名称: | CHLORIDE ION, N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide, Replicase polyprotein 1a, ... | | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Nguyen, H.N, Kim, Y, Chang, K.O, Groutas, W.C. | | 登録日 | 2020-09-04 | | 公開日 | 2021-07-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7K0E
 | | 1.90 A resolution structure of SARS-CoV-2 3CL protease in complex with deuterated GC376 | | 分子名称: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL | | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Nguyen, H.N, Kim, Y, Chang, K.O, Groutas, W.C. | | 登録日 | 2020-09-04 | | 公開日 | 2021-07-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7Z5O
 | | W-formate dehydrogenase from Desulfovibrio vulgaris - Dithionite reduced form | | 分子名称: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, Formate dehydrogenase, ... | | 著者 | Mota, C, Oliveira, A.R, Klymanska, K, Pereira, I.C, Romao, M.J. | | 登録日 | 2022-03-09 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.527 Å) | | 主引用文献 | Spectroscopic and Structural Characterization of Reduced Desulfovibrio vulgaris Hildenborough W-FdhAB Reveals Stable Metal Coordination during Catalysis.
Acs Chem.Biol., 17, 2022
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7Z0T
 | | Structure of the Escherichia coli formate hydrogenlyase complex (aerobic preparation, composite structure) | | 分子名称: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CARBONMONOXIDE-(DICYANO) IRON, FE (III) ION, ... | | 著者 | Steinhilper, R, Murphy, B.J. | | 登録日 | 2022-02-23 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structure of the membrane-bound formate hydrogenlyase complex from Escherichia coli.
Nat Commun, 13, 2022
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7JU8
 | | X-ray structure of MMP-13 in Complex with 4-(1,2,3-thiadiazol-4-yl)pyridine | | 分子名称: | 4-(1,2,3-thiadiazol-4-yl)pyridine, CALCIUM ION, Collagenase 3, ... | | 著者 | Farrow, N.A. | | 登録日 | 2020-08-19 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Indole Inhibitors of MMP-13 for Arthritic Disorders
Acs Omega, 6, 2021
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3C9N
 | | Crystal Structure of a SARS Corona Virus Derived Peptide Bound to the Human Major Histocompatibility Complex Class I molecule HLA-B*1501 | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | 著者 | Roder, G.A, Kristensen, O, Kastrup, J.S, Buus, S, Gajhede, M. | | 登録日 | 2008-02-18 | | 公開日 | 2008-02-26 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Structure of a SARS coronavirus-derived peptide bound to the human major histocompatibility complex class I molecule HLA-B*1501.
ACTA CRYSTALLOGR.,SECT.F, 64, 2008
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7JSD
 | | Hydroxylase homolog of BesD with Fe(II), alpha-ketoglutarate, and lysine | | 分子名称: | 2-OXOGLUTARIC ACID, FE (II) ION, LYSINE, ... | | 著者 | Kissman, E.N, Neugebauer, M.E, Chang, M.C.Y. | | 登録日 | 2020-08-14 | | 公開日 | 2021-08-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Reaction pathway engineering converts a radical hydroxylase into a halogenase.
Nat.Chem.Biol., 18, 2022
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7JXT
 | | Ovine COX-1 in complex with the subtype-selective derivative 2a | | 分子名称: | 2-[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Ko, Y, Iaselli, M, Miciaccia, M, Friedrich, L, Schneider, G, Scilimati, A, Cingolani, G. | | 登録日 | 2020-08-27 | | 公開日 | 2021-09-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | | 主引用文献 | Learning from Nature: From a Marine Natural Product to Synthetic Cyclooxygenase-1 Inhibitors by Automated De Novo Design.
Adv Sci, 8, 2021
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2JG0
 | | Family 37 trehalase from Escherichia coli in complex with 1- thiatrehazolin | | 分子名称: | N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha- D-glucopyranosylamine, PERIPLASMIC TREHALASE | | 著者 | Gibson, R.P, Gloster, T.M, Roberts, S, Warren, R.A.J, Storch De Gracia, I, Garcia, A, Chiara, J.L, Davies, G.J. | | 登録日 | 2007-02-07 | | 公開日 | 2007-02-13 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Molecular Basis for Trehalase Inhibition Revealed by the Structure of Trehalase in Complex with Potent Inhibitors.
Angew.Chem.Int.Ed.Engl., 46, 2007
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3KPE
 | | Solution structure of the respiratory syncytial virus (RSV)six-helix bundle complexed with TMC353121, a small-moleucule inhibitor of RSV | | 分子名称: | 2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(4-morpholinyl)propyl]amino]-1H-benzimidazol-1-yl]methyl]-6-methyl-3-pyridinol, Fusion glycoprotein F0, TETRAETHYLENE GLYCOL | | 著者 | Roymans, D, De Bondt, H, Arnoult, E, Cummings, M.D, Van Vlijmen, H, Andries, K. | | 登録日 | 2009-11-16 | | 公開日 | 2009-12-22 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Binding of a potent small-molecule inhibitor of six-helix bundle formation requires interactions with both heptad-repeats of the RSV fusion protein.
Proc.Natl.Acad.Sci.USA, 107, 2010
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5O6J
 | | Human NMT1 in complex with myristoyl-CoA and inhibitor IMP-1031 | | 分子名称: | 1-[5-[3-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, Glycylpeptide N-tetradecanoyltransferase 1, MAGNESIUM ION, ... | | 著者 | Brannigan, J.A, Wilkinson, A.J. | | 登録日 | 2017-06-06 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
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7Z0E
 | | Crystal structure of the M state of bacteriorhodopsin at 1.22 Angstrom resolution | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene, 2,3-DI-PHYTANYL-GLYCEROL, ... | | 著者 | Borshchevskiy, V, Kovalev, K, Round, E, Efremov, R, Bourenkov, G, Gordeliy, V. | | 登録日 | 2022-02-22 | | 公開日 | 2022-05-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | True-atomic-resolution insights into the structure and functional role of linear chains and low-barrier hydrogen bonds in proteins.
Nat.Struct.Mol.Biol., 29, 2022
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3L4M
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3KQL
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2FCV
 | | SyrB2 with Fe(II), bromide, and alpha-ketoglutarate | | 分子名称: | ((2R,3S,4S,5S)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)-5-((2R,3S,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHOXY-TETRAHYDRO-2H-PYRAN-2-YLOXY)-TETRAHYDROFURAN-2-YL)METHYL NONANOATE, 2-OXOGLUTARIC ACID, BROMIDE ION, ... | | 著者 | Blasiak, L.C, Drennan, C.L. | | 登録日 | 2005-12-12 | | 公開日 | 2006-03-21 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of the non-haem iron halogenase SyrB2 in syringomycin biosynthesis.
Nature, 440, 2006
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3LHO
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3L6A
 | | Crystal structure of the C-terminal region of Human p97 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Eukaryotic translation initiation factor 4 gamma 2, ... | | 著者 | Fan, S. | | 登録日 | 2009-12-23 | | 公開日 | 2010-04-28 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of the C-terminal region of human p97/DAP5.
Proteins, 78, 2010
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3LG1
 | | Structure of the Thioalkalivibrio nitratireducens cytochrome c nitrite reductase reduced by sodium borohydride (in complex with sulfite) | | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CALCIUM ION, Eight-heme nitrite reductase, ... | | 著者 | Trofimov, A.A, Polyakov, K.M, Boyko, K.M, Filimonenkov, A.A, Dorovatovsky, P.V, Tikhonova, T.V, Popov, V.O. | | 登録日 | 2010-01-19 | | 公開日 | 2010-12-29 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Covalent modifications of the catalytic tyrosine in octahaem cytochrome c nitrite reductase and their effect on the enzyme activity.
Acta Crystallogr.,Sect.D, 68, 2012
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3LUR
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3UU9
 | | Structure of the free TvNiRb form of Thioalkalivibrio nitratireducens cytochrome c nitrite reductase | | 分子名称: | CALCIUM ION, Eight-heme nitrite reductase, HEME C, ... | | 著者 | Trofimov, A.A, Polyakov, K.M, Tikhonova, T.V, Tikhonov, A.V, Dorovatovskii, P.V, Popov, V.O. | | 登録日 | 2011-11-28 | | 公開日 | 2012-01-25 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Covalent modifications of the catalytic tyrosine in octahaem cytochrome c nitrite reductase and their effect on the enzyme activity.
Acta Crystallogr.,Sect.D, 68, 2012
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2GRU
 | | Crystal structure of 2-deoxy-scyllo-inosose synthase complexed with carbaglucose-6-phosphate, NAD+ and Co2+ | | 分子名称: | (1R,2S,3S,4R)-5-METHYLENECYCLOHEXANE-1,2,3,4-TETRAOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-deoxy-scyllo-inosose synthase, ... | | 著者 | Nango, E, Kumasaka, T. | | 登録日 | 2006-04-25 | | 公開日 | 2007-05-08 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structure of 2-deoxy-scyllo-inosose synthase, a key enzyme in the biosynthesis of 2-deoxystreptamine-containing aminoglycoside antibiotics, in complex with a mechanism-based inhibitor and NAD+
Proteins, 70, 2008
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1NAB
 | | The crystal structure of the complex between a disaccharide anthracycline and the DNA hexamer d(CGATCG) reveals two different binding sites involving two DNA duplexes | | 分子名称: | 5'-D(*CP*GP*AP*TP*CP*G)-3', 7-[5-(4-AMINO-5-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY)-4-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY]-6,9,11-TRIHYDROXY-9-(2-HYDROXY-ACETYL)-7,8,9,10-TETRAHYDRO-NAPHTHACENE-5,12-DIONE | | 著者 | Temperini, C, Messori, L, Orioli, P, Di Bugno, C, Animati, F, Ughetto, G. | | 登録日 | 2002-11-27 | | 公開日 | 2003-02-25 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | The crystal structure of the complex between a disaccharide anthracycline and the DNA hexamer d(CGATCG) reveals two different binding sites involving two DNA duplexes
Nucleic Acids Res., 31, 2003
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1Z3W
 | | Structure of Phanerochaete chrysosporium cellobiohydrolase Cel7D (CBH58) in complex with cellobioimidazole | | 分子名称: | (5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, cellulase | | 著者 | Ubhayasekera, W, Vasella, A, Stahlberg, J, Mowbray, S.L. | | 登録日 | 2005-03-14 | | 公開日 | 2005-04-26 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structures of Phanerochaete chrysosporium Cel7D in complex with product and inhibitors
Febs J., 272, 2005
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2P6G
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2BLY
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