8I30
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![BU of 8i30 by Molmil](/molmil-images/mine/8i30) | Crystal structure of the SARS-CoV-2 main protease in complex with 32j | 分子名称: | (2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | 著者 | Zeng, R, Huang, C, Xie, L.W, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | 登録日 | 2023-01-16 | 公開日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery and structure-activity relationship studies of novel alpha-ketoamide derivatives targeting the SARS-CoV-2 main protease. Eur.J.Med.Chem., 259, 2023
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7YMV
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![BU of 7ymv by Molmil](/molmil-images/mine/7ymv) | Cryo-EM structure of MERS-CoV spike protein, Two RBD-up conformation 1 | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Hsu, S.T.D, Chang, N.E, Weng, Z.W, Yang, T.J, Draczkowski, P. | 登録日 | 2022-07-29 | 公開日 | 2023-08-09 | 実験手法 | ELECTRON MICROSCOPY (6.74 Å) | 主引用文献 | GlycoSHIELD: a versatile pipeline to assess glycan impact on protein structures To Be Published
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7YMZ
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![BU of 7ymz by Molmil](/molmil-images/mine/7ymz) | Cryo-EM structure of MERS-CoV spike protein, intermediate conformation | 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, Spike glycoprotein, ... | 著者 | Hsu, S.T.D, Chang, N.E, Weng, Z.W, Yang, T.J, Draczkowski, P. | 登録日 | 2022-07-29 | 公開日 | 2023-08-09 | 実験手法 | ELECTRON MICROSCOPY (4.39 Å) | 主引用文献 | GlycoSHIELD: a versatile pipeline to assess glycan impact on protein structures To Be Published
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7TLN
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![BU of 7tln by Molmil](/molmil-images/mine/7tln) | STRUCTURAL ANALYSIS OF THE INHIBITION OF THERMOLYSIN BY AN ACTIVE-SITE-DIRECTED IRREVERSIBLE INHIBITOR | 分子名称: | 2-(ACETYL-HYDROXY-AMINO)-4-METHYL-PENTANOIC ACID METHYL ESTER, CALCIUM ION, THERMOLYSIN, ... | 著者 | Matthews, B.W, Holmes, M.A, Tronrud, D.E. | 登録日 | 1983-01-27 | 公開日 | 1983-03-09 | 最終更新日 | 2022-11-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural analysis of the inhibition of thermolysin by an active-site-directed irreversible inhibitor. Biochemistry, 22, 1983
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6ZGZ
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![BU of 6zgz by Molmil](/molmil-images/mine/6zgz) | Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | 分子名称: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, beta-D-galactopyranose, ... | 著者 | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | 登録日 | 2020-06-20 | 公開日 | 2020-07-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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8KCM
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![BU of 8kcm by Molmil](/molmil-images/mine/8kcm) | MmCPDII-DNA complex containing low-dosage, light induced repaired DNA. | 分子名称: | Deoxyribodipyrimidine photo-lyase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Maestre-Reyna, M, Wang, P.-H, Nango, E, Hosokawa, Y, Saft, M, Furrer, A, Yang, C.-H, Ngura Putu, E.P.G, Wu, W.-J, Emmerich, H.-J, Engilberge, S, Caramello, N, Wranik, M, Glover, H.L, Franz-Badur, S, Wu, H.-Y, Lee, C.-C, Huang, W.-C, Huang, K.-F, Chang, Y.-K, Liao, J.-H, Weng, J.-H, Gad, W, Chang, C.-W, Pang, A.H, Gashi, D, Beale, E, Ozerov, D, Milne, C, Cirelli, C, Bacellar, C, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Spadaccini, R, Royant, A, Yamamoto, J, Iwata, S, Standfuss, J, Essen, L.-O, Bessho, Y, Tsai, M.-D. | 登録日 | 2023-08-08 | 公開日 | 2023-11-22 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Visualizing the DNA repair process by a photolyase at atomic resolution. Science, 382, 2023
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6ZGY
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![BU of 6zgy by Molmil](/molmil-images/mine/6zgy) | Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | 分子名称: | (2,5-dimethylphenyl) pyridine-4-carboxylate, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | 著者 | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | 登録日 | 2020-06-20 | 公開日 | 2020-07-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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6ZGX
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![BU of 6zgx by Molmil](/molmil-images/mine/6zgx) | Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | 分子名称: | 1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | 著者 | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | 登録日 | 2020-06-20 | 公開日 | 2020-07-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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6ZGW
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![BU of 6zgw by Molmil](/molmil-images/mine/6zgw) | Structure of human galactokinase 1 bound with (4-chlorophenyl)methyl pyridine-3-carboxylate | 分子名称: | (4-chlorophenyl)methyl pyridine-3-carboxylate, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | 著者 | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | 登録日 | 2020-06-20 | 公開日 | 2020-07-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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6ZGV
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![BU of 6zgv by Molmil](/molmil-images/mine/6zgv) | Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | 分子名称: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, 2-(4-chlorophenyl)-~{N}-pyrimidin-2-yl-ethanamide, Galactokinase, ... | 著者 | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | 登録日 | 2020-06-20 | 公開日 | 2020-07-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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8TLN
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![BU of 8tln by Molmil](/molmil-images/mine/8tln) | |
5CRO
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![BU of 5cro by Molmil](/molmil-images/mine/5cro) | |
7MZK
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![BU of 7mzk by Molmil](/molmil-images/mine/7mzk) | SARS-CoV-2 receptor binding domain bound to Fab WCSL 129 and Fab PDI 96 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, ... | 著者 | Pymm, P, Dietrich, M.H, Tan, L.L, Chan, L.J, Tham, W.H. | 登録日 | 2021-05-24 | 公開日 | 2021-10-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Landscape of human antibody recognition of the SARS-CoV-2 receptor binding domain. Cell Rep, 37, 2021
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7MZJ
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![BU of 7mzj by Molmil](/molmil-images/mine/7mzj) | SARS-CoV-2 receptor binding domain bound to Fab WCSL 129 and Fab PDI 93 | 分子名称: | GLYCEROL, PDI 93 heavy chain, PDI 93 light chain, ... | 著者 | Pymm, P, Dietrich, M.H, Tan, L.L, Chan, L.J, Tham, W.H. | 登録日 | 2021-05-24 | 公開日 | 2021-10-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Landscape of human antibody recognition of the SARS-CoV-2 receptor binding domain. Cell Rep, 37, 2021
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7NTH
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![BU of 7nth by Molmil](/molmil-images/mine/7nth) | Structure of TAK1 in complex with compound 54 | 分子名称: | 2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{R})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{H}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G. | 登録日 | 2021-03-09 | 公開日 | 2021-04-07 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors. Acs Med.Chem.Lett., 12, 2021
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7NTI
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![BU of 7nti by Molmil](/molmil-images/mine/7nti) | Structure of TAK1 in complex with compound 22 | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, Mitogen-activated protein kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, ... | 著者 | Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G. | 登録日 | 2021-03-09 | 公開日 | 2021-04-07 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors. Acs Med.Chem.Lett., 12, 2021
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5JFC
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![BU of 5jfc by Molmil](/molmil-images/mine/5jfc) | NADH-dependent Ferredoxin:NADP Oxidoreductase (NfnI) from Pyrococcus furiosus | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, ... | 著者 | Zadvornyy, O.A, Schut, G.J, Nguyen, D.M, Artz, J.H, Tokmina-Lukaszewska, M, Lipscomb, G, King, P.W, Adams, M.W, Peters, J.W. | 登録日 | 2016-04-19 | 公開日 | 2017-04-12 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.598 Å) | 主引用文献 | Mechanistic insights into energy conservation by flavin-based electron bifurcation. Nat. Chem. Biol., 13, 2017
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6VHJ
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![BU of 6vhj by Molmil](/molmil-images/mine/6vhj) | |
5GAN
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![BU of 5gan by Molmil](/molmil-images/mine/5gan) | The overall structure of the yeast spliceosomal U4/U6.U5 tri-snRNP at 3.7 Angstrom | 分子名称: | 13 kDa ribonucleoprotein-associated protein, GUANOSINE-5'-TRIPHOSPHATE, Pre-mRNA-processing factor 31, ... | 著者 | Nguyen, T.H.D, Galej, W.P, Bai, X.C, Oubridge, C, Scheres, S.H.W, Newman, A.J, Nagai, K. | 登録日 | 2015-12-15 | 公開日 | 2016-01-27 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Cryo-EM structure of the yeast U4/U6.U5 tri-snRNP at 3.7 angstrom resolution. Nature, 530, 2016
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5N98
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![BU of 5n98 by Molmil](/molmil-images/mine/5n98) | Crystal Structure of Drosophila DHX36 helicase in complex with TAGGGTTTT | 分子名称: | CG9323, isoform A, DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*TP*T)-3'), ... | 著者 | Chen, W.-F, Rety, S, Guo, H.-L, Wu, W.-Q, Liu, N.-N, Liu, Q.-W, Dai, Y.-X, Xi, X.-G. | 登録日 | 2017-02-24 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.756 Å) | 主引用文献 | Molecular Mechanistic Insights into Drosophila DHX36-Mediated G-Quadruplex Unfolding: A Structure-Based Model. Structure, 26, 2018
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5N94
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![BU of 5n94 by Molmil](/molmil-images/mine/5n94) | Crystal Structure of Drosophila DHX36 helicase in complex with polyU | 分子名称: | CG9323, isoform A, RNA (5'-R(P*UP*UP*UP*UP*UP*UP*UP*U)-3') | 著者 | Chen, W.-F, Rety, S, Hai-Lei Guo, H.-L, Wu, W.-Q, Liu, N.-N, Liu, Q.-W, Dai, Y.-X, Xi, X.-G. | 登録日 | 2017-02-24 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.428 Å) | 主引用文献 | Molecular Mechanistic Insights into Drosophila DHX36-Mediated G-Quadruplex Unfolding: A Structure-Based Model. Structure, 26, 2018
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5N9D
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![BU of 5n9d by Molmil](/molmil-images/mine/5n9d) | Crystal Structure of Drosophila DHX36 helicase in complex with GGGTTAGGGT | 分子名称: | CG9323, isoform A, DNA (5'-D(P*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3') | 著者 | Chen, W.-F, Rety, S, Guo, H.-L, Wu, W.-Q, Liu, N.-N, Liu, Q.-W, Dai, Y.-X, Xi, X.-G. | 登録日 | 2017-02-24 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | Molecular Mechanistic Insights into Drosophila DHX36-Mediated G-Quadruplex Unfolding: A Structure-Based Model. Structure, 26, 2018
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5N8S
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![BU of 5n8s by Molmil](/molmil-images/mine/5n8s) | Crystal Structure of Drosophila DHX36 helicase in complex with polyT | 分子名称: | CG9323, isoform A, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), ... | 著者 | Chen, W.-F, Rety, S, Hai-Lei Guo, H.-L, Wu, W.-Q, Liu, N.-N, Liu, Q.-W, Dai, Y.-X, Xi, X.-G. | 登録日 | 2017-02-24 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | Molecular Mechanistic Insights into Drosophila DHX36-Mediated G-Quadruplex Unfolding: A Structure-Based Model. Structure, 26, 2018
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7QKA
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![BU of 7qka by Molmil](/molmil-images/mine/7qka) | Crystal structure of SARS-CoV-2 Main Protease in complex with covalently bound GC376 | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | 登録日 | 2021-12-17 | 公開日 | 2022-12-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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5N90
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![BU of 5n90 by Molmil](/molmil-images/mine/5n90) | Crystal Structure of Drosophila DHX36 helicase in complex with TTGTGGTGT | 分子名称: | CG9323, isoform A, DNA (5'-D(P*TP*TP*GP*TP*GP*GP*TP*GP*T)-3'), ... | 著者 | Chen, W.-F, Rety, S, Guo, H.-L, Wu, W.-Q, Liu, N.-N, Liu, Q.-W, Dai, Y.-X, Xi, X.-G. | 登録日 | 2017-02-24 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.069 Å) | 主引用文献 | Molecular Mechanistic Insights into Drosophila DHX36-Mediated G-Quadruplex Unfolding: A Structure-Based Model. Structure, 26, 2018
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