5YNR
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8VYG
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![BU of 8vyg by Molmil](/molmil-images/mine/8vyg) | SARS-CoV-2 S RBD (C.37 Lambda variant) plus S309 Fab, local refinement | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S309 Heavy Chain, S309 Light Chain, ... | 著者 | McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | 登録日 | 2024-02-08 | 公開日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Quantifying how single dose Ad26.COV2.S vaccine efficacy depends on Spike sequence features. Nat Commun, 15, 2024
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8VYF
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![BU of 8vyf by Molmil](/molmil-images/mine/8vyf) | SARS-CoV-2 S NTD (C.37 Lambda variant) plus S2L20 and S2X303 Fabs, local refinement | 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, S2L20 Heavy Chain, ... | 著者 | McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | 登録日 | 2024-02-08 | 公開日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Quantifying how single dose Ad26.COV2.S vaccine efficacy depends on Spike sequence features. Nat Commun, 15, 2024
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1FOD
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![BU of 1fod by Molmil](/molmil-images/mine/1fod) | STRUCTURE OF A MAJOR IMMUNOGENIC SITE ON FOOT-AND-MOUTH DISEASE VIRUS | 分子名称: | FOOT AND MOUTH DISEASE VIRUS | 著者 | Logan, D.T, Lea, S, Lewis, R, Stuart, D, Fry, E. | 登録日 | 1993-10-27 | 公開日 | 1994-01-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure of a major immunogenic site on foot-and-mouth disease virus. Nature, 362, 1993
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6TK4
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![BU of 6tk4 by Molmil](/molmil-images/mine/6tk4) | Femtosecond to millisecond structural changes in a light-driven sodium pump: 1ns+16ns structure of KR2 with extrapolated, light and dark datasets | 分子名称: | EICOSANE, RETINAL, Sodium pumping rhodopsin | 著者 | Skopintsev, P, Ehrenberg, D, Weinert, T, James, D, Kar, R, Johnson, P, Ozerov, D, Furrer, A, Martiel, I, Dworkowski, F, Nass, K, Knopp, G, Cirelli, C, Gashi, D, Mous, S, Wranik, M, Gruhl, T, Kekilli, D, Bruenle, S, Deupi, X, Schertler, G.F.X, Benoit, R, Panneels, V, Nogly, P, Schapiro, I, Milne, C, Heberle, J, Standfuss, J. | 登録日 | 2019-11-28 | 公開日 | 2020-05-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Femtosecond-to-millisecond structural changes in a light-driven sodium pump. Nature, 583, 2020
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6TK6
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![BU of 6tk6 by Molmil](/molmil-images/mine/6tk6) | Femtosecond to millisecond structural changes in a light-driven sodium pump: Dark structure in neutral conditions with attached light datasets at 800fs, 2ps, 100ps, 1ns, 16ns, 1us, 30us, 150us, 1ms and 20ms | 分子名称: | EICOSANE, RETINAL, Sodium pumping rhodopsin | 著者 | Skopintsev, P, Ehrenberg, D, Weinert, T, James, D, Kar, R, Johnson, P, Ozerov, D, Furrer, A, Martiel, I, Dworkowski, F, Nass, K, Knopp, G, Cirelli, C, Gashi, D, Mous, S, Wranik, M, Gruhl, T, Kekilli, D, Bruenle, S, Deupi, X, Schertler, G.F.X, Benoit, R, Panneels, V, Nogly, P, Schapiro, I, Milne, C, Heberle, J, Standfuss, J. | 登録日 | 2019-11-28 | 公開日 | 2020-05-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Femtosecond-to-millisecond structural changes in a light-driven sodium pump. Nature, 583, 2020
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1C4B
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![BU of 1c4b by Molmil](/molmil-images/mine/1c4b) | A BETA-HAIRPIN MIMIC FROM FCERI-ALPHA-CYCLO(RD-262) | 分子名称: | PROTEIN (CYCLO(RD-262)) | 著者 | Mcdonnell, J.M, Fushman, D, Cahill, S.M, Sutton, B.J, Cowburn, D. | 登録日 | 1999-08-02 | 公開日 | 1999-08-25 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution Structures of FceRI Alpha-Chain Mimics: A Beta-Hairpin Peptide and Its Retroenantiomer J.Am.Chem.Soc., 119, 1997
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5HBH
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![BU of 5hbh by Molmil](/molmil-images/mine/5hbh) | CDK8-CYCC IN COMPLEX WITH 5-{5-Chloro-4-[1-(2-methoxy-ethyl)-1,8-diaza-spiro[4.5]dec-8-yl]-pyridin-3-yl}-1-methyl-1,3-dihydro-benzo[c]isothiazole 2,2-dioxide | 分子名称: | 1,2-ETHANEDIOL, 5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{H}-2,1-benzothiazole 2,2-dioxide, Cyclin-C, ... | 著者 | Musil, D, Blagg, J, Mallinger, A. | 登録日 | 2015-12-31 | 公開日 | 2016-02-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19. J.Med.Chem., 59, 2016
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5HHZ
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8W0S
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![BU of 8w0s by Molmil](/molmil-images/mine/8w0s) | Human EBP complexed with compound 3a | 分子名称: | 1-methyl-8-[(oxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione, 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | 著者 | Sun, D, Masureel, M. | 登録日 | 2024-02-14 | 公開日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Discovery and Optimization of Selective Brain-Penetrant EBP Inhibitors that Enhance Oligodendrocyte Formation. J.Med.Chem., 67, 2024
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1C54
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![BU of 1c54 by Molmil](/molmil-images/mine/1c54) | SOLUTION STRUCTURE OF RIBONUCLEASE SA | 分子名称: | RIBONUCLEASE SA | 著者 | Laurents, D.V, Canadillas-Perez, J.M, Santoro, J, Schell, D, Pace, C.N, Rico, M, Bruix, M. | 登録日 | 1999-10-22 | 公開日 | 2001-11-28 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure and dynamics of ribonuclease Sa. Proteins, 44, 2001
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5HBE
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![BU of 5hbe by Molmil](/molmil-images/mine/5hbe) | CDK8-CYCC IN COMPLEX WITH 8-[3-Chloro-5-(1-methyl-2,2-dioxo-2, 3-dihydro-1H-2l6-benzo[c]isothiazol-5-yl)-pyridin- 4-yl]-1-oxa-3,8-diaza-spiro[4.5]decan-2-one | 分子名称: | 1,2-ETHANEDIOL, 8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{H}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one, Cyclin-C, ... | 著者 | Musil, D, Blagg, J, Mallinger, A. | 登録日 | 2015-12-31 | 公開日 | 2016-02-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19. J.Med.Chem., 59, 2016
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8W0R
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![BU of 8w0r by Molmil](/molmil-images/mine/8w0r) | Human EBP complexed with compound 1 | 分子名称: | 1-methyl-1'-[(oxan-4-yl)methyl]-5-(trifluoromethyl)spiro[indole-2,4'-piperidin]-3(1H)-one, 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | 著者 | Sun, D, Masureel, M. | 登録日 | 2024-02-14 | 公開日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Discovery and Optimization of Selective Brain-Penetrant EBP Inhibitors that Enhance Oligodendrocyte Formation. J.Med.Chem., 67, 2024
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5W80
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![BU of 5w80 by Molmil](/molmil-images/mine/5w80) | Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-237 | 分子名称: | 3-(3-chlorophenoxy)-1-[(piperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1 | 著者 | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Walker, J.R, Structural Genomics Consortium (SGC) | 登録日 | 2017-06-21 | 公開日 | 2017-07-19 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-237 To be published
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5W9E
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![BU of 5w9e by Molmil](/molmil-images/mine/5w9e) | Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186 | 分子名称: | 1-tert-butyl-3-[(3-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 | 著者 | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R. | 登録日 | 2017-06-23 | 公開日 | 2017-08-02 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186 To be published
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6BGT
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7BJ1
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![BU of 7bj1 by Molmil](/molmil-images/mine/7bj1) | Crystal structure of SMYD3 with diperodon S enantiomer bound to allosteric site | 分子名称: | ACETATE ION, Diperodon (S-enantiomer), GLYCEROL, ... | 著者 | Talibov, V.O, Cederfelt, D, Dobritzsch, D, Danielson, U.H. | 登録日 | 2021-01-13 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase Chembiochem, 22, 2021
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1A6X
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![BU of 1a6x by Molmil](/molmil-images/mine/1a6x) | STRUCTURE OF THE APO-BIOTIN CARBOXYL CARRIER PROTEIN (APO-BCCP87) OF ESCHERICHIA COLI ACETYL-COA CARBOXYLASE, NMR, 49 STRUCTURES | 分子名称: | APO-BIOTIN CARBOXYL CARRIER PROTEIN OF ACETYL-COA CARBOXYLASE | 著者 | Yao, X, Wei, D, Soden Junior, C, Summers, M.F, Beckett, D. | 登録日 | 1998-03-04 | 公開日 | 1998-10-14 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure of the carboxy-terminal fragment of the apo-biotin carboxyl carrier subunit of Escherichia coli acetyl-CoA carboxylase. Biochemistry, 36, 1997
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1A6S
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![BU of 1a6s by Molmil](/molmil-images/mine/1a6s) | M-DOMAIN FROM GAG POLYPROTEIN OF ROUS SARCOMA VIRUS, NMR, 20 STRUCTURES | 分子名称: | GAG POLYPROTEIN | 著者 | Mcdonnell, J.M, Fushman, D, Cahill, S.M, Zhou, W, Wolven, A, Wilson, C.B, Nelle, T.D, Resh, M.D, Wills, J, Cowburn, D. | 登録日 | 1998-03-02 | 公開日 | 1998-10-14 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure and dynamics of the bioactive retroviral M domain from Rous sarcoma virus J.Mol.Biol., 279, 1998
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5XC7
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![BU of 5xc7 by Molmil](/molmil-images/mine/5xc7) | Dengue Virus 4 NS3 Helicase D290A mutant | 分子名称: | CHLORIDE ION, GLYCEROL, NS3 Helicase | 著者 | Swarbrick, C.M.D, Basavannacharya, C, Chan, K.W.K, Chan, S.A, Singh, D, Wei, N, Phoo, W.W, Luo, D, Lescar, J, Vasudevan, S.G. | 登録日 | 2017-03-22 | 公開日 | 2017-11-08 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | NS3 helicase from dengue virus specifically recognizes viral RNA sequence to ensure optimal replication Nucleic Acids Res., 45, 2017
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6TK3
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![BU of 6tk3 by Molmil](/molmil-images/mine/6tk3) | Femtosecond to millisecond structural changes in a light-driven sodium pump: 30us+150us structure of KR2 with extrapolated, light and dark datasets | 分子名称: | EICOSANE, RETINAL, Sodium pumping rhodopsin | 著者 | Skopintsev, P, Ehrenberg, D, Weinert, T, James, D, Kar, R, Johnson, P, Ozerov, D, Furrer, A, Martiel, I, Dworkowski, F, Nass, K, Knopp, G, Cirelli, C, Gashi, D, Mous, S, Wranik, M, Gruhl, T, Kekilli, D, Bruenle, S, Deupi, X, Schertler, G.F.X, Benoit, R, Panneels, V, Nogly, P, Schapiro, I, Milne, C, Heberle, J, Standfuss, J. | 登録日 | 2019-11-28 | 公開日 | 2020-05-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Femtosecond-to-millisecond structural changes in a light-driven sodium pump. Nature, 583, 2020
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6TK2
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![BU of 6tk2 by Molmil](/molmil-images/mine/6tk2) | Femtosecond to millisecond structural changes in a light-driven sodium pump: 1ms structure of KR2 with extrapolated, light and dark datasets | 分子名称: | EICOSANE, RETINAL, SODIUM ION, ... | 著者 | Skopintsev, P, Ehrenberg, D, Weinert, T, James, D, Kar, R, Johnson, P, Ozerov, D, Furrer, A, Martiel, I, Dworkowski, F, Nass, K, Knopp, G, Cirelli, C, Gashi, D, Mous, S, Wranik, M, Gruhl, T, Kekilli, D, Bruenle, S, Deupi, X, Schertler, G.F.X, Benoit, R, Panneels, V, Nogly, P, Schapiro, I, Milne, C, Heberle, J, Standfuss, J. | 登録日 | 2019-11-28 | 公開日 | 2020-05-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Femtosecond-to-millisecond structural changes in a light-driven sodium pump. Nature, 583, 2020
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5Z5R
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![BU of 5z5r by Molmil](/molmil-images/mine/5z5r) | Nukacin ISK-1 in inactive state | 分子名称: | Lantibiotic nukacin | 著者 | Kohda, D, Fujinami, D. | 登録日 | 2018-01-19 | 公開日 | 2018-11-28 | 最終更新日 | 2024-07-10 | 実験手法 | SOLUTION NMR | 主引用文献 | The lantibiotic nukacin ISK-1 exists in an equilibrium between active and inactive lipid-II binding states. Commun Biol, 1, 2018
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5YXW
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![BU of 5yxw by Molmil](/molmil-images/mine/5yxw) | Crystal structure of the prefusion form of measles virus fusion protein | 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, glycoprotein F1,measles virus fusion protein, ... | 著者 | Hashiguchi, T, Fukuda, Y, Matsuoka, R, Kuroda, D, Kubota, M, Shirogane, Y, Watanabe, S, Tsumoto, K, Kohda, D, Plemper, R.K, Yanagi, Y. | 登録日 | 2017-12-07 | 公開日 | 2018-02-21 | 最終更新日 | 2022-03-23 | 実験手法 | X-RAY DIFFRACTION (2.776 Å) | 主引用文献 | Structures of the prefusion form of measles virus fusion protein in complex with inhibitors. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5W8R
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![BU of 5w8r by Molmil](/molmil-images/mine/5w8r) | Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI | 分子名称: | 1-tert-butyl-3-[(3-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1 | 著者 | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | 登録日 | 2017-06-22 | 公開日 | 2017-07-19 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI To be published
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