8WLR
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![BU of 8wlr by Molmil](/molmil-images/mine/8wlr) | Cryo-EM structure of SARS-CoV-2 prototype spike protein receptor-binding domain in complex with hippopotamus ACE2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike glycoprotein, ... | 著者 | Han, P, Yang, R.R, Li, S.H. | 登録日 | 2023-09-30 | 公開日 | 2024-03-27 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (3.12 Å) | 主引用文献 | Molecular basis of hippopotamus ACE2 binding to SARS-CoV-2. J.Virol., 98, 2024
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8WLO
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![BU of 8wlo by Molmil](/molmil-images/mine/8wlo) | Cryo-EM structure of SARS-CoV-2 prototype spike protein in complex with hippopotamus ACE2 | 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, Angiotensin-converting enzyme, ... | 著者 | Han, P, Yang, R.R, Li, S.H. | 登録日 | 2023-09-30 | 公開日 | 2024-03-27 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (2.62 Å) | 主引用文献 | Molecular basis of hippopotamus ACE2 binding to SARS-CoV-2. J.Virol., 98, 2024
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3PKN
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![BU of 3pkn by Molmil](/molmil-images/mine/3pkn) | Crystal structure of MLLE domain of poly(A) binding protein in complex with PAM2 motif of La-related protein 4 (LARP4) | 分子名称: | IODIDE ION, La-related protein 4, Polyadenylate-binding protein 1, ... | 著者 | Xie, J, Kozlov, G, Gehring, K. | 登録日 | 2010-11-11 | 公開日 | 2011-01-12 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | La-Related Protein 4 Binds Poly(A), Interacts with the Poly(A)-Binding Protein MLLE Domain via a Variant PAM2w Motif, and Can Promote mRNA Stability. Mol.Cell.Biol., 31, 2011
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7N32
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![BU of 7n32 by Molmil](/molmil-images/mine/7n32) | |
6PQ3
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![BU of 6pq3 by Molmil](/molmil-images/mine/6pq3) | Crystal structure of GDP-bound KRAS with ten residues long internal tandem duplication in the switch II region | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Dharmaiah, S, Chan, A.H, Tran, T.H, Simanshu, D.K. | 登録日 | 2019-07-08 | 公開日 | 2020-05-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | RASinternal tandem duplication disrupts GTPase-activating protein (GAP) binding to activate oncogenic signaling. J.Biol.Chem., 295, 2020
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6PUW
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![BU of 6puw by Molmil](/molmil-images/mine/6puw) | Structure of HIV cleaved synaptic complex (CSC) intasome bound with magnesium and Bictegravir (BIC) | 分子名称: | Bictegravir, Chimeric Sso7d and HIV-1 integrase, MAGNESIUM ION, ... | 著者 | Lyumkis, D, Jozwik, I.K, Passos, D. | 登録日 | 2019-07-18 | 公開日 | 2020-02-12 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Structural basis for strand-transfer inhibitor binding to HIV intasomes. Science, 367, 2020
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6PUZ
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![BU of 6puz by Molmil](/molmil-images/mine/6puz) | Structure of HIV cleaved synaptic complex (CSC) intasome bound with magnesium and INSTI XZ446 (compound 4f) | 分子名称: | 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-[2-(phenylsulfonyl)ethyl]-1,8-naphthyridine-3-carboxamide, Chimeric Sso7d and HIV-1 integrase, MAGNESIUM ION, ... | 著者 | Lyumkis, D, Jozwik, I.K, Passos, D. | 登録日 | 2019-07-18 | 公開日 | 2020-02-12 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Structural basis for strand-transfer inhibitor binding to HIV intasomes. Science, 367, 2020
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6PUY
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![BU of 6puy by Molmil](/molmil-images/mine/6puy) | Structure of HIV cleaved synaptic complex (CSC) intasome bound with magnesium and INSTI XZ426 (compound 4d) | 分子名称: | 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6-(6-hydroxyhexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide, Chimeric Sso7d and HIV-1 integrase, MAGNESIUM ION, ... | 著者 | Lyumkis, D, Jozwik, I.K, Passos, D. | 登録日 | 2019-07-18 | 公開日 | 2020-02-12 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Structural basis for strand-transfer inhibitor binding to HIV intasomes. Science, 367, 2020
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6PUT
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![BU of 6put by Molmil](/molmil-images/mine/6put) | Structure of HIV cleaved synaptic complex (CSC) intasome bound with calcium | 分子名称: | CALCIUM ION, Chimeric Sso7d and HIV-1 integrase, ZINC ION, ... | 著者 | Lyumkis, D, Jozwik, I.K, Passos, D. | 登録日 | 2019-07-18 | 公開日 | 2020-02-12 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Structural basis for strand-transfer inhibitor binding to HIV intasomes. Science, 367, 2020
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8S8C
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![BU of 8s8c by Molmil](/molmil-images/mine/8s8c) | Structure of Kras in complex with inhibitor MK-1084 | 分子名称: | (5aSa,17aRa)- 20-Chloro-2-[(2S,5R)-2,5-dimethyl-4-(prop-2-enoyl)piperazin-1-yl]-14,17-difluoro-6-(propan-2-yl)-11,12-dihydro-4H-1,18-(ethanediylidene)pyrido[4,3-e]pyrimido[1,6-g][1,4,7,9]benzodioxadiazacyclododecin-4-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Day, P.J, Cleasby, A. | 登録日 | 2024-03-06 | 公開日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of MK-1084: An Orally Bioavailable and Low-Dose KRAS G12C Inhibitor. J.Med.Chem., 2024
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7N61
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![BU of 7n61 by Molmil](/molmil-images/mine/7n61) | structure of C2 projections and MIPs | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, FAP147, FAP178, ... | 著者 | Han, L, Zhang, K. | 登録日 | 2021-06-07 | 公開日 | 2022-05-18 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Cryo-EM structure of an active central apparatus. Nat.Struct.Mol.Biol., 29, 2022
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7N6G
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![BU of 7n6g by Molmil](/molmil-images/mine/7n6g) | C1 of central pair | 分子名称: | CPC1, Calmodulin, DPY30, ... | 著者 | Han, L, Zhang, K. | 登録日 | 2021-06-08 | 公開日 | 2022-05-18 | 最終更新日 | 2022-06-01 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Cryo-EM structure of an active central apparatus. Nat.Struct.Mol.Biol., 29, 2022
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6N9O
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![BU of 6n9o by Molmil](/molmil-images/mine/6n9o) | Crystal structure of human GSDMD | 分子名称: | Gasdermin-D | 著者 | Liu, Z, Wang, C, Yang, J, Xiao, T.S. | 登録日 | 2018-12-03 | 公開日 | 2019-06-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Crystal Structures of the Full-Length Murine and Human Gasdermin D Reveal Mechanisms of Autoinhibition, Lipid Binding, and Oligomerization. Immunity, 51, 2019
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6N9N
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![BU of 6n9n by Molmil](/molmil-images/mine/6n9n) | Crystal structure of murine GSDMD | 分子名称: | Gasdermin-D | 著者 | Liu, Z, Wang, C, Yang, J, Xiao, T.S. | 登録日 | 2018-12-03 | 公開日 | 2019-06-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Crystal Structures of the Full-Length Murine and Human Gasdermin D Reveal Mechanisms of Autoinhibition, Lipid Binding, and Oligomerization. Immunity, 51, 2019
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8HHT
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![BU of 8hht by Molmil](/molmil-images/mine/8hht) | Crystal structure of the SARS-CoV-2 main protease in complex with Hit-1 | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide | 著者 | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | 登録日 | 2022-11-17 | 公開日 | 2023-03-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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8HHU
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![BU of 8hhu by Molmil](/molmil-images/mine/8hhu) | Crystal structure of the SARS-CoV-2 main protease in complex with SY110 | 分子名称: | (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5 | 著者 | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | 登録日 | 2022-11-17 | 公開日 | 2023-03-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.258 Å) | 主引用文献 | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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2OBQ
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![BU of 2obq by Molmil](/molmil-images/mine/2obq) | Discovery of the HCV NS3/4A Protease Inhibitor SCH503034. Key Steps in Structure-Based Optimization | 分子名称: | Hepatitis C virus, ZINC ION | 著者 | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | 登録日 | 2006-12-19 | 公開日 | 2007-07-31 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
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2OC1
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![BU of 2oc1 by Molmil](/molmil-images/mine/2oc1) | Structure of the HCV NS3/4A Protease Inhibitor CVS4819 | 分子名称: | (2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETI C ACID, Hepatitis C virus, ZINC ION | 著者 | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | 登録日 | 2006-12-20 | 公開日 | 2007-07-31 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
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2OC0
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![BU of 2oc0 by Molmil](/molmil-images/mine/2oc0) | Structure of NS3 complexed with a ketoamide inhibitor SCh491762 | 分子名称: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, Hepatitis C virus, ... | 著者 | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | 登録日 | 2006-12-20 | 公開日 | 2007-07-31 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
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2OC7
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![BU of 2oc7 by Molmil](/molmil-images/mine/2oc7) | Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH571696 | 分子名称: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, TERT-BUTYL {(1S)-2-[(1R,2S,5R)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-7,7-DIMETHYL-6-OXA-3-AZABICYCLO[3.2.0]HEPT-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE, ... | 著者 | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | 登録日 | 2006-12-20 | 公開日 | 2007-07-31 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
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2OBO
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![BU of 2obo by Molmil](/molmil-images/mine/2obo) | Structure of HEPATITIS C VIRAL NS3 protease domain complexed with NS4A peptide and ketoamide SCH476776 | 分子名称: | BETA-MERCAPTOETHANOL, HCV NS3 protease, HCV NS4A peptide, ... | 著者 | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | 登録日 | 2006-12-19 | 公開日 | 2007-07-31 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
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8W2R
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![BU of 8w2r by Molmil](/molmil-images/mine/8w2r) | HIV-1 P5-IN intasome core | 分子名称: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (5'-D(*AP*CP*TP*GP*CP*TP*AP*GP*AP*GP*AP*TP*TP*TP*TP*CP*CP*CP*G)-3'), DNA (5'-D(P*CP*GP*GP*GP*AP*AP*AP*AP*TP*CP*TP*CP*TP*AP*GP*CP*A)-3'), ... | 著者 | Li, M, Craigie, R. | 登録日 | 2024-02-21 | 公開日 | 2024-04-17 | 最終更新日 | 2024-04-24 | 実験手法 | ELECTRON MICROSCOPY (3.23 Å) | 主引用文献 | HIV-1 Integrase Assembles Multiple Species of Stable Synaptic Complex Intasomes That Are Active for Concerted DNA Integration In vitro. J.Mol.Biol., 436, 2024
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8W09
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![BU of 8w09 by Molmil](/molmil-images/mine/8w09) | HIV-1 wild-type intasome core | 分子名称: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, Integrase, MAGNESIUM ION, ... | 著者 | Li, M, Craigie, R. | 登録日 | 2024-02-13 | 公開日 | 2024-04-17 | 最終更新日 | 2024-04-24 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | HIV-1 Integrase Assembles Multiple Species of Stable Synaptic Complex Intasomes That Are Active for Concerted DNA Integration In vitro. J.Mol.Biol., 436, 2024
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8W34
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![BU of 8w34 by Molmil](/molmil-images/mine/8w34) | HIV-1 intasome core assembled with wild-type integrase, 1F | 分子名称: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (5'-D(*AP*CP*TP*GP*CP*TP*AP*GP*AP*GP*AP*TP*TP*TP*TP*CP*CP*AP*C)-3'), DNA (5'-D(P*GP*TP*GP*GP*AP*AP*AP*AP*TP*CP*TP*CP*TP*AP*GP*CP*A)-3'), ... | 著者 | Li, M, Craigie, R. | 登録日 | 2024-02-21 | 公開日 | 2024-04-17 | 最終更新日 | 2024-04-24 | 実験手法 | ELECTRON MICROSCOPY (2.83 Å) | 主引用文献 | HIV-1 Integrase Assembles Multiple Species of Stable Synaptic Complex Intasomes That Are Active for Concerted DNA Integration In vitro. J.Mol.Biol., 436, 2024
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7K58
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![BU of 7k58 by Molmil](/molmil-images/mine/7k58) | |