6XQI
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![BU of 6xqi by Molmil](/molmil-images/mine/6xqi) | Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A | 分子名称: | ASN-PRO-LEU-GLU-PHE-LEU, Protein Vpr, UV excision repair protein RAD23 homolog A, ... | 著者 | Calero, G.C, Wu, Y, Weiss, S.C. | 登録日 | 2020-07-09 | 公開日 | 2021-08-11 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A. Nat Commun, 12, 2021
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6XQJ
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![BU of 6xqj by Molmil](/molmil-images/mine/6xqj) | Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A | 分子名称: | Protein Vpr,UV excision repair protein RAD23 homolog A, ZINC ION | 著者 | Byeon, I.-J.L, Calero, G, Wu, Y, Byeon, C.H, Gronenborn, A.M. | 登録日 | 2020-07-09 | 公開日 | 2021-11-17 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A. Nat Commun, 12, 2021
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7VTC
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![BU of 7vtc by Molmil](/molmil-images/mine/7vtc) | Crystal structure of MERS main protease in complex with PF07321332 | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | 著者 | Lin, C, Zhong, F.L, Zhou, X.L, Zhang, J, Li, J. | 登録日 | 2021-10-28 | 公開日 | 2022-03-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.53865623 Å) | 主引用文献 | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332. J.Virol., 96, 2022
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7VLQ
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![BU of 7vlq by Molmil](/molmil-images/mine/7vlq) | Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P212121 | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | 著者 | Zhou, X.L, Zhong, F.L, Lin, C, Zhang, J, Li, J. | 登録日 | 2021-10-05 | 公開日 | 2022-04-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.939106 Å) | 主引用文献 | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332. J.Virol., 96, 2022
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7VLO
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![BU of 7vlo by Molmil](/molmil-images/mine/7vlo) | Crystal structure of SARS coronavirus main protease in complex with PF07321332 | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | 著者 | Lin, C, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J. | 登録日 | 2021-10-05 | 公開日 | 2022-04-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.0227 Å) | 主引用文献 | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332. J.Virol., 96, 2022
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7VLP
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![BU of 7vlp by Molmil](/molmil-images/mine/7vlp) | Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P1211 | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, Replicase polyprotein 1a | 著者 | Zhou, X.L, Zhong, F.L, Lin, C, Li, J, Zhang, J. | 登録日 | 2021-10-05 | 公開日 | 2022-04-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.50251937 Å) | 主引用文献 | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332. J.Virol., 96, 2022
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7AMN
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![BU of 7amn by Molmil](/molmil-images/mine/7amn) | Structure of LuxR with DNA (repression) | 分子名称: | DNA (5'-D(P*TP*AP*TP*TP*GP*AP*TP*AP*AP*AP*AP*TP*TP*AP*TP*CP*AP*AP*TP*AP*A)-3'), DNA (5'-D(P*TP*TP*AP*TP*TP*GP*AP*TP*AP*AP*TP*TP*TP*TP*AP*TP*CP*AP*AP*TP*A)-3'), HTH-type transcriptional regulator LuxR | 著者 | Liu, B, Reverter, D. | 登録日 | 2020-10-09 | 公開日 | 2021-03-31 | 最終更新日 | 2021-04-14 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression. Nucleic Acids Res., 49, 2021
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7AMT
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![BU of 7amt by Molmil](/molmil-images/mine/7amt) | Structure of LuxR with DNA (activation) | 分子名称: | DNA (5'-D(P*AP*TP*AP*AP*TP*GP*AP*CP*AP*TP*TP*AP*CP*TP*GP*TP*AP*TP*AP*TP*A)-3'), DNA (5'-D(P*TP*AP*TP*AP*TP*AP*CP*AP*GP*TP*AP*AP*TP*GP*TP*CP*AP*TP*TP*AP*T)-3'), HTH-type transcriptional regulator LuxR | 著者 | Liu, B, Reverter, D. | 登録日 | 2020-10-09 | 公開日 | 2021-03-31 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression. Nucleic Acids Res., 49, 2021
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6EN8
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![BU of 6en8 by Molmil](/molmil-images/mine/6en8) | SaFadR in complex with dsDNA | 分子名称: | DNA (5'-D(*CP*TP*AP*CP*TP*TP*GP*AP*TP*TP*TP*TP*TP*GP*AP*GP*TP*CP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*GP*AP*CP*TP*CP*AP*AP*AP*AP*AP*TP*CP*AP*AP*GP*TP*AP*G)-3'), Transcriptional regulator TetR family, ... | 著者 | Valegard, K. | 登録日 | 2017-10-04 | 公開日 | 2018-10-31 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.29 Å) | 主引用文献 | A TetR-family transcription factor regulates fatty acid metabolism in the archaeal model organism Sulfolobus acidocaldarius. Nat Commun, 10, 2019
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6EL2
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![BU of 6el2 by Molmil](/molmil-images/mine/6el2) | SaFadR_lauroyl_CoA complex | 分子名称: | DODECYL-COA, Transcriptional regulator TetR family | 著者 | Valegard, K. | 登録日 | 2017-09-27 | 公開日 | 2018-10-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A TetR-family transcription factor regulates fatty acid metabolism in the archaeal model organism Sulfolobus acidocaldarius. Nat Commun, 10, 2019
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7VFB
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![BU of 7vfb by Molmil](/molmil-images/mine/7vfb) | |
7VFA
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![BU of 7vfa by Molmil](/molmil-images/mine/7vfa) | |
6MZP
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![BU of 6mzp by Molmil](/molmil-images/mine/6mzp) | |
6MZN
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![BU of 6mzn by Molmil](/molmil-images/mine/6mzn) | |
7RJF
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![BU of 7rjf by Molmil](/molmil-images/mine/7rjf) | MOPD-1 mutant-L47W | 分子名称: | MALONATE ION, ZINC ION, [L47W]MOPD-1 | 著者 | Huawu, Y, Conan, K.W, Gordon, J.K, Brett, M.C, Yen-Hua, H, David, J.C. | 登録日 | 2021-07-20 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Rational Design of Potent Peptide Inhibitors of the PD-1:PD-L1 Interaction for Cancer Immunotherapy. J.Am.Chem.Soc., 143, 2021
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7VSW
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![BU of 7vsw by Molmil](/molmil-images/mine/7vsw) | |
7VSU
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![BU of 7vsu by Molmil](/molmil-images/mine/7vsu) | |
6IEV
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![BU of 6iev by Molmil](/molmil-images/mine/6iev) | Crystal structure of a designed protein | 分子名称: | Designed protein | 著者 | Han, M, Liao, S, Chen, Q, Liu, H. | 登録日 | 2018-09-17 | 公開日 | 2019-09-18 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Selection and analyses of variants of a designed protein suggest importance of hydrophobicity of partially buried sidechains for protein stability at high temperatures. Protein Sci., 28, 2019
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3R9X
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![BU of 3r9x by Molmil](/molmil-images/mine/3r9x) | Crystal structure of Era in complex with MgGDPNP, nucleotides 1506-1542 of 16S ribosomal RNA, and KsgA | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, GTPase Era, ... | 著者 | Tu, C, Ji, X. | 登録日 | 2011-03-26 | 公開日 | 2011-06-22 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The Era GTPase recognizes the GAUCACCUCC sequence and binds helix 45 near the 3' end of 16S rRNA. Proc.Natl.Acad.Sci.USA, 108, 2011
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3R9W
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![BU of 3r9w by Molmil](/molmil-images/mine/3r9w) | |
8K6Q
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![BU of 8k6q by Molmil](/molmil-images/mine/8k6q) | Crystal structure of HOIL-1L LTM domain | 分子名称: | RanBP-type and C3HC4-type zinc finger-containing protein 1 | 著者 | Yan, Z, Pan, L.F. | 登録日 | 2023-07-25 | 公開日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Mechanistic insights into the homo-dimerization of HOIL-1L and SHARPIN. Biochem.Biophys.Res.Commun., 689, 2023
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8K6P
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![BU of 8k6p by Molmil](/molmil-images/mine/8k6p) | |
8UPV
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![BU of 8upv by Molmil](/molmil-images/mine/8upv) | Structure of SARS-Cov2 3CLPro in complex with Compound 33 | 分子名称: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | 著者 | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | 登録日 | 2023-10-23 | 公開日 | 2024-03-06 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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8UPS
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![BU of 8ups by Molmil](/molmil-images/mine/8ups) | Structure of SARS-Cov2 3CLPro in complex with Compound 5 | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, PHOSPHATE ION | 著者 | Wu, Y, Qiang, D, Zhuang, N, Krishnamurthy, H, Klein, D.J. | 登録日 | 2023-10-23 | 公開日 | 2024-03-06 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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8UPW
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![BU of 8upw by Molmil](/molmil-images/mine/8upw) | Structure of SARS-Cov2 3CLPro in complex with Compound 34 | 分子名称: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | 著者 | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | 登録日 | 2023-10-23 | 公開日 | 2024-03-06 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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