3ZPH
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4R87
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![BU of 4r87 by Molmil](/molmil-images/mine/4r87) | Crystal structure of spermidine N-acetyltransferase from Vibrio cholerae in complex with CoA and spermine | 分子名称: | COENZYME A, DI(HYDROXYETHYL)ETHER, SPERMINE, ... | 著者 | Filippova, E.V, Minasov, G, Kiryukhina, O, Kuhn, M.L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2014-08-29 | 公開日 | 2015-03-25 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | A Novel Polyamine Allosteric Site of SpeG from Vibrio cholerae Is Revealed by Its Dodecameric Structure. J.Mol.Biol., 427, 2015
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4I4L
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![BU of 4i4l by Molmil](/molmil-images/mine/4i4l) | Crystal Structure of Nucleotide-Bound W-W-W ClpX Hexamer | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpX, SULFATE ION | 著者 | Glynn, S.E, Nager, A.R, Stinson, B.S, Schmitz, K.R, Baker, T.A, Sauer, R.T. | 登録日 | 2012-11-27 | 公開日 | 2013-05-15 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.6981 Å) | 主引用文献 | Nucleotide Binding and Conformational Switching in the Hexameric Ring of a AAA+ Machine. Cell(Cambridge,Mass.), 153, 2013
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3D54
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![BU of 3d54 by Molmil](/molmil-images/mine/3d54) | Structure of PurLQS from Thermotoga maritima | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Formylglycinamide ribonucleotide amidotransferase, Phosphoribosylformylglycinamidine synthase 1, ... | 著者 | Ealick, S.E, Morar, M. | 登録日 | 2008-05-15 | 公開日 | 2008-07-22 | 最終更新日 | 2017-02-01 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Formylglycinamide ribonucleotide amidotransferase from Thermotoga maritima: structural insights into complex formation. Biochemistry, 47, 2008
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5S4S
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![BU of 5s4s by Molmil](/molmil-images/mine/5s4s) | Tubulin-Z240297434-complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide, CALCIUM ION, ... | 著者 | Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. | 登録日 | 2020-11-08 | 公開日 | 2021-06-30 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl., 60, 2021
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4R4L
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![BU of 4r4l by Molmil](/molmil-images/mine/4r4l) | Crystal structure of wt cGMP dependent protein kinase I alpha (PKGI alpha) leucine zipper | 分子名称: | HEXANE-1,6-DIOL, SULFATE ION, cGMP-dependent protein kinase 1 | 著者 | Reger, A.S, Guo, E, Yang, M.P, Qin, L, Kim, C. | 登録日 | 2014-08-19 | 公開日 | 2015-09-23 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (2.245 Å) | 主引用文献 | Structures of cGMP-Dependent Protein Kinase (PKG) I alpha Leucine Zippers Reveal an Interchain Disulfide Bond Important for Dimer Stability. Biochemistry, 54, 2015
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6W8K
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![BU of 6w8k by Molmil](/molmil-images/mine/6w8k) | Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | 分子名称: | 5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein | 著者 | Zhang, S, Garzan, A, Augelli-Szafran, C.E, Pathak, A.K, Wu, M. | 登録日 | 2020-03-20 | 公開日 | 2021-01-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
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6W03
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6GBQ
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![BU of 6gbq by Molmil](/molmil-images/mine/6gbq) | Crystal Structure of the oligomerization domain of Vp35 from Reston virus | 分子名称: | Polymerase cofactor VP35 | 著者 | Zinzula, L, Nagy, I, Orsini, M, Weyher-Stingl, E, Baumeister, W, Bracher, A. | 登録日 | 2018-04-16 | 公開日 | 2018-10-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Structures of Ebola and Reston Virus VP35 Oligomerization Domains and Comparative Biophysical Characterization in All Ebolavirus Species. Structure, 27, 2019
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8CQX
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![BU of 8cqx by Molmil](/molmil-images/mine/8cqx) | Ribokinase from T.sp mutant A92G | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ribokinase | 著者 | Timofeev, V.I, Shevtsov, M.B, Abramchik, Y.A, Kostromina, M.A, Zayats, E.A, Kuranova, I.P, Esipov, R.S. | 登録日 | 2023-03-07 | 公開日 | 2023-04-05 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Ribokinase from T.sp mutant A92G To Be Published
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8CEV
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![BU of 8cev by Molmil](/molmil-images/mine/8cev) | Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO1119 | 分子名称: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-iodanyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase | 著者 | Klima, M, Silhan, J, Boura, E. | 登録日 | 2023-02-02 | 公開日 | 2023-04-05 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase. Nat Commun, 14, 2023
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8CER
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![BU of 8cer by Molmil](/molmil-images/mine/8cer) | Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO494 | 分子名称: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-naphthalen-1-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase | 著者 | Klima, M, Silhan, J, Boura, E. | 登録日 | 2023-02-02 | 公開日 | 2023-04-05 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase. Nat Commun, 14, 2023
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3YPI
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6W8Y
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![BU of 6w8y by Molmil](/molmil-images/mine/6w8y) | Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | 分子名称: | 2-oxo-2,3-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein | 著者 | Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. | 登録日 | 2020-03-21 | 公開日 | 2021-01-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
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8CEQ
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![BU of 8ceq by Molmil](/molmil-images/mine/8ceq) | Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO427 | 分子名称: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-phenylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase | 著者 | Klima, M, Silhan, J, Boura, E. | 登録日 | 2023-02-02 | 公開日 | 2023-04-05 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase. Nat Commun, 14, 2023
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6FXY
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![BU of 6fxy by Molmil](/molmil-images/mine/6fxy) | Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Cocrystal with Fe2+, Mn2+, UDP-Gal - Structure from long-wavelength S-SAD | 分子名称: | 2-OXOGLUTARIC 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 | Scietti, L, Chiapparino, A, De Giorgi, F, Fumagalli, M, Khoriauli, L, Nergadze, S, Basu, S, Olieric, V, Banushi, B, Giulotto, E, Gissen, P, Forneris, F. | 登録日 | 2018-03-09 | 公開日 | 2018-08-22 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.138 Å) | 主引用文献 | Molecular architecture of the multifunctional collagen lysyl hydroxylase and glycosyltransferase LH3. Nat Commun, 9, 2018
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8CES
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![BU of 8ces by Molmil](/molmil-images/mine/8ces) | Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO500 | 分子名称: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-[2-(1~{H}-benzimidazol-2-yl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase | 著者 | Klima, M, Silhan, J, Boura, E. | 登録日 | 2023-02-02 | 公開日 | 2023-04-05 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase. Nat Commun, 14, 2023
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4DTH
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![BU of 4dth by Molmil](/molmil-images/mine/4dth) | Structure of a VgrG Vibrio cholerae toxin ACD domain in complex with ATP and Mg++ | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | 著者 | Durand, E, Audoly, G, Derrez, E, Spinelli, S, Ortiz-Lombardia, M, Cascales, E, Raoult, D, Cambillau, C. | 登録日 | 2012-02-21 | 公開日 | 2012-08-29 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Structure of a VgrG Vibrio cholerae toxin ACD domain in complex with ATP and Mg++ J.Biol.Chem., 2012
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8CET
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![BU of 8cet by Molmil](/molmil-images/mine/8cet) | Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO507 | 分子名称: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase | 著者 | Klima, M, Silhan, J, Boura, E. | 登録日 | 2023-02-02 | 公開日 | 2023-04-05 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase. Nat Commun, 14, 2023
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4RAV
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![BU of 4rav by Molmil](/molmil-images/mine/4rav) | Crystal structure of scFvC4 in complex with the first 17 AA of huntingtin | 分子名称: | Huntingtin, SULFATE ION, Single-chain Fv, ... | 著者 | De Genst, E, Chirgadze, D.Y, Dobson, C.M. | 登録日 | 2014-09-11 | 公開日 | 2015-07-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of a single-chain fv bound to the 17 N-terminal residues of huntingtin provides insights into pathogenic amyloid formation and suppression. J.Mol.Biol., 427, 2015
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6G7J
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![BU of 6g7j by Molmil](/molmil-images/mine/6g7j) | Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 457-646 fs state structure | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ... | 著者 | Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J. | 登録日 | 2018-04-06 | 公開日 | 2018-06-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser. Science, 361, 2018
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6G0H
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6W91
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![BU of 6w91 by Molmil](/molmil-images/mine/6w91) | Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | 分子名称: | Nonstructural polyprotein, methyl 2-oxo-2,5-dihydropyrimidine-4-carboxylate | 著者 | Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. | 登録日 | 2020-03-21 | 公開日 | 2021-01-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
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1THZ
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![BU of 1thz by Molmil](/molmil-images/mine/1thz) | Crystal Structure of Avian AICAR Transformylase in Complex with a Novel Inhibitor Identified by Virtual Ligand Screening | 分子名称: | 2-{(E)-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFOPHENYL)-1H-PYRAZOL-4-YL]DIAZENYL}-4-SULFOBENZOIC ACID, Bifunctional purine biosynthesis protein PURH, POTASSIUM ION | 著者 | Xu, L, Li, C, Olson, A.J, Wilson, I.A. | 登録日 | 2004-06-01 | 公開日 | 2004-09-07 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of avian aminoimidazole-4-carboxamide ribonucleotide transformylase in complex with a novel non-folate inhibitor identified by virtual ligand screening. J.Biol.Chem., 279, 2004
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6HUK
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![BU of 6huk by Molmil](/molmil-images/mine/6huk) | CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with bicuculline and megabody Mb38. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-1,Gamma-aminobutyric acid receptor subunit alpha-1, Gamma-aminobutyric acid receptor subunit beta-3, ... | 著者 | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | 登録日 | 2018-10-08 | 公開日 | 2019-01-02 | 最終更新日 | 2022-03-30 | 実験手法 | ELECTRON MICROSCOPY (3.69 Å) | 主引用文献 | GABAAreceptor signalling mechanisms revealed by structural pharmacology. Nature, 565, 2019
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