8HE9
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![BU of 8he9 by Molmil](/molmil-images/mine/8he9) | Crystal structure of CTSB in complex with K777 | 分子名称: | Cathepsin B, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Wang, H, Li, D, Sun, L, Yang, H. | 登録日 | 2022-11-07 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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8HFV
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![BU of 8hfv by Molmil](/molmil-images/mine/8hfv) | Crystal structure of CTSL in complex with K777 | 分子名称: | CACODYLATE ION, Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide, Procathepsin L, ... | 著者 | Wang, H, Shao, M, Sun, L, Yang, H. | 登録日 | 2022-11-12 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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8HEN
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![BU of 8hen by Molmil](/molmil-images/mine/8hen) | Crystal structure of CTSB in complex with 212-148 | 分子名称: | 2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate, Cathepsin B, DIMETHYL SULFOXIDE, ... | 著者 | Wang, H, Li, D, Sun, L, Yang, H. | 登録日 | 2022-11-08 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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6UYG
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![BU of 6uyg by Molmil](/molmil-images/mine/6uyg) | Structure of Hepatitis C Virus Envelope Glycoprotein E2c3 core from genotype 6a bound to broadly neutralizing antibody AR3A and non neutralizing antibody E1 | 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, Envelope glycoprotein E2, ... | 著者 | Tzarum, N, Wilson, I.A, Zhu, J. | 登録日 | 2019-11-13 | 公開日 | 2020-04-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.375 Å) | 主引用文献 | Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines. Sci Adv, 6, 2020
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6VIZ
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![BU of 6viz by Molmil](/molmil-images/mine/6viz) | BRD4_Bromodomain1 complex with pyrrolopyridone compound 27 | 分子名称: | 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4 | 著者 | Longenecker, K.L, Park, C.H, Qiu, W. | 登録日 | 2020-01-14 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.391 Å) | 主引用文献 | Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J.Med.Chem., 63, 2020
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6UIT
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![BU of 6uit by Molmil](/molmil-images/mine/6uit) | HIV-1 wild-type reverse transcriptase-DNA complex with dCTP | 分子名称: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA primer, DNA template, ... | 著者 | Lansdon, E.B. | 登録日 | 2019-10-01 | 公開日 | 2019-12-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.80607414 Å) | 主引用文献 | Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance. Commun Biol, 2, 2019
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6UK0
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![BU of 6uk0 by Molmil](/molmil-images/mine/6uk0) | HIV-1 M184V reverse transcriptase-DNA complex | 分子名称: | MAGNESIUM ION, Primer DNA, SULFATE ION, ... | 著者 | Lansdon, E.B. | 登録日 | 2019-10-03 | 公開日 | 2019-12-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.75695229 Å) | 主引用文献 | Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance. Commun Biol, 2, 2019
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6UJY
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6UJZ
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![BU of 6ujz by Molmil](/molmil-images/mine/6ujz) | HIV-1 wild-type reverse transcriptase-DNA complex with (+)-FTC-TP | 分子名称: | MAGNESIUM ION, SULFATE ION, [[(2~{S},5~{R})-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate, ... | 著者 | Lansdon, E.B. | 登録日 | 2019-10-03 | 公開日 | 2019-12-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.55642557 Å) | 主引用文献 | Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance. Commun Biol, 2, 2019
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8H7Z
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8H7L
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![BU of 8h7l by Molmil](/molmil-images/mine/8h7l) | Cryo-EM Structure of SARS-CoV-2 BA.2 Spike protein in complex with BA7535 | 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, BA7535 fab heavt chain, ... | 著者 | Liu, Z, Yan, A, Gao, Y. | 登録日 | 2022-10-20 | 公開日 | 2023-08-30 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (2.44 Å) | 主引用文献 | Identification of a highly conserved neutralizing epitope within the RBD region of diverse SARS-CoV-2 variants. Nat Commun, 15, 2024
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8IPS
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8IPR
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8IPQ
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8IFF
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![BU of 8iff by Molmil](/molmil-images/mine/8iff) | Cryo-EM structure of Arabidopsis phytochrome A. | 分子名称: | 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome A | 著者 | Ma, L, Zhou, C, Wang, J, Guan, Z, Yin, P. | 登録日 | 2023-02-17 | 公開日 | 2023-08-02 | 最終更新日 | 2023-10-11 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Plant phytochrome A in the Pr state assembles as an asymmetric dimer. Cell Res., 33, 2023
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6VIW
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![BU of 6viw by Molmil](/molmil-images/mine/6viw) | BRD4_Bromodomain1 complex with pyrrolopyridone compound 18 | 分子名称: | 4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4 | 著者 | Longenecker, K.L, Park, C.H, Qiu, W. | 登録日 | 2020-01-14 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.429 Å) | 主引用文献 | Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J.Med.Chem., 63, 2020
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8IPT
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6VIY
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![BU of 6viy by Molmil](/molmil-images/mine/6viy) | BRD2_Bromodomain2 complex with pyrrolopyridone compound 27 | 分子名称: | 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 2 | 著者 | Longenecker, K.L, Park, C.H, Qiu, W. | 登録日 | 2020-01-14 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.904 Å) | 主引用文献 | Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J.Med.Chem., 63, 2020
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6VIX
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![BU of 6vix by Molmil](/molmil-images/mine/6vix) | BRD4_Bromodomain2 complex with pyrrolopyridone compound 18 | 分子名称: | 4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4 | 著者 | Longenecker, K.L, Park, C.H, Qiu, W. | 登録日 | 2020-01-14 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.116 Å) | 主引用文献 | Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J.Med.Chem., 63, 2020
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4PT1
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6JQH
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![BU of 6jqh by Molmil](/molmil-images/mine/6jqh) | Crystal structure of MaDA | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, MaDA | 著者 | Du, X.X, Lei, X.G. | 登録日 | 2019-03-31 | 公開日 | 2020-04-08 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.303 Å) | 主引用文献 | FAD-dependent enzyme-catalysed intermolecular [4+2] cycloaddition in natural product biosynthesis. Nat.Chem., 12, 2020
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6DBK
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![BU of 6dbk by Molmil](/molmil-images/mine/6dbk) | Tyk2 with compound 8 | 分子名称: | 4-({4-[(1S,4S)-5-(cyanoacetyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-2-yl}amino)-N-ethylbenzamide, Non-receptor tyrosine-protein kinase TYK2 | 著者 | Vajdos, F.F. | 登録日 | 2018-05-03 | 公開日 | 2018-08-29 | 最終更新日 | 2018-11-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841). J. Med. Chem., 61, 2018
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5GTM
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![BU of 5gtm by Molmil](/molmil-images/mine/5gtm) | Modified human MxA, nucleotide-free form | 分子名称: | Interferon-induced GTP-binding protein Mx1 | 著者 | Chen, Y, Gao, S. | 登録日 | 2016-08-22 | 公開日 | 2017-05-31 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.896 Å) | 主引用文献 | Conformational dynamics of dynamin-like MxA revealed by single-molecule FRET Nat Commun, 8, 2017
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5D9Y
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![BU of 5d9y by Molmil](/molmil-images/mine/5d9y) | Crystal structure of TET2-5fC complex | 分子名称: | DNA (5'-D(*AP*CP*TP*GP*TP*(5FC)P*GP*AP*AP*GP*CP*T)-3'), DNA (5'-D(*AP*GP*CP*TP*TP*CP*GP*AP*CP*AP*GP*T)-3'), FE (III) ION, ... | 著者 | Hu, L, Cheng, J, Rao, Q, Li, Z, Li, J, Xu, Y. | 登録日 | 2015-08-19 | 公開日 | 2015-11-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.971 Å) | 主引用文献 | Structural insight into substrate preference for TET-mediated oxidation. Nature, 527, 2015
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6E66
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