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5CTU
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BU of 5ctu by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1H)-one, CHLORIDE ION, ...
著者Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D.
登録日2015-07-24
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
5CTY
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BU of 5cty by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ...
著者Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D.
登録日2015-07-24
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
8V1I
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BU of 8v1i by Molmil
Crystal structure of human mascRNA
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Skeparnias, I, Zhang, J.
登録日2023-11-20
公開日2024-07-10
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of MALAT1 RNA maturation and mascRNA biogenesis.
Nat.Struct.Mol.Biol., 2024
8V1H
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BU of 8v1h by Molmil
Crystal structure of human pre-mascRNA
分子名称: SODIUM ION, pre-mascRNA
著者Skeparnias, I, Zhang, J.
登録日2023-11-20
公開日2024-07-10
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structural basis of MALAT1 RNA maturation and mascRNA biogenesis.
Nat.Struct.Mol.Biol., 2024
8ZQ3
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BU of 8zq3 by Molmil
Structure of ORP1L-RAB7A in the presence of GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, Oxysterol-binding protein-related protein 1, Ras-related protein Rab-7a
著者Lu, Q, Zhang, J, Xu, C.
登録日2024-05-31
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structure of GDP-bound Rab7 Q67L in complex with ORP1L.
Biochem.Biophys.Res.Commun., 725, 2024
6WB1
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BU of 6wb1 by Molmil
+3 extended HIV-1 reverse transcriptase initiation complex core (intermediate state)
分子名称: HIV-1 viral RNA genome fragment, REVERSE TRANSCRIPTASE/RIBONUCLEASE H, reverse transcriptase p51 subunit, ...
著者Larsen, K.P, Jackson, L.N, Kappel, K, Zhang, J, Chen, D.H, Puglisi, E.V.
登録日2020-03-26
公開日2020-06-24
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Distinct Conformational States Underlie Pausing during Initiation of HIV-1 Reverse Transcription.
J.Mol.Biol., 432, 2020
6WBJ
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BU of 6wbj by Molmil
High resolution crystal structure of mRECK(CC4) in fusion with engineered MBP
分子名称: GLYCEROL, Maltodextrin-binding protein,Reversion-inducing cysteine-rich protein with Kazal motifs fusion, SULFATE ION, ...
著者Chang, T.H, Hsieh, F.L, Gabelli, S.B, Nathans, J.
登録日2020-03-26
公開日2020-06-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献Structure of the RECK CC domain, an evolutionary anomaly.
Proc.Natl.Acad.Sci.USA, 117, 2020
6WAZ
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BU of 6waz by Molmil
+1 extended HIV-1 reverse transcriptase initiation complex core (pre-translocation state)
分子名称: HIV-1 viral RNA genome fragment, Reverse transcriptase p51 subunit, Reverse transcriptase/ribonuclease H, ...
著者Larsen, K.P, Jackson, L.N, Kappel, K, Zhang, J, Puglisi, E.V.
登録日2020-03-26
公開日2020-06-24
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Distinct Conformational States Underlie Pausing during Initiation of HIV-1 Reverse Transcription.
J.Mol.Biol., 432, 2020
6WBH
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BU of 6wbh by Molmil
Crystal structure of mRECK(CC4) in fusion with engineered MBP at medium resolution
分子名称: CHLORIDE ION, Maltodextrin-binding protein,Reversion-inducing cysteine-rich protein with Kazal motifs fusion, ZINC ION, ...
著者Chang, T.H, Hsieh, F.L, Gabelli, S.B, Nathans, J.
登録日2020-03-26
公開日2020-06-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.455 Å)
主引用文献Structure of the RECK CC domain, an evolutionary anomaly.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W8R
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BU of 6w8r by Molmil
Crystal structure of metacaspase 4 C139A from Arabidopsis
分子名称: Metacaspase-4, SULFATE ION
著者Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q.
登録日2020-03-21
公開日2020-05-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Structural basis for Ca2+-dependent activation of a plant metacaspase.
Nat Commun, 11, 2020
6WB2
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BU of 6wb2 by Molmil
+3 extended HIV-1 reverse transcriptase initiation complex core (displaced state)
分子名称: HIV-1 viral RNA genome fragment, Reverse transcriptase/ribonuclease H, reverse transcriptase p51 subunit, ...
著者Larsen, K.P, Jackson, L.N, Kappel, K, Zhang, J, Chen, D.H, Puglisi, E.V.
登録日2020-03-26
公開日2020-06-24
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Distinct Conformational States Underlie Pausing during Initiation of HIV-1 Reverse Transcription.
J.Mol.Biol., 432, 2020
8A83
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BU of 8a83 by Molmil
rsEGFP2 with a chlorinated chromophore in the fluorescent ON-state in a crystal dehydrated after illumination
分子名称: Green fluorescent protein, SULFATE ION
著者Fadini, A, van Thor, J, Chang, J.
登録日2022-06-21
公開日2023-07-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 145, 2023
8WZQ
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BU of 8wzq by Molmil
Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with CCF0058981
分子名称: 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide, 3C-like proteinase nsp5
著者Zou, X.F, Jiang, H.H, Zhou, X.L, Zhang, J, Li, J.
登録日2023-11-02
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Crystal structure of SARS-CoV-2 main protease (M pro ) mutants in complex with the non-covalent inhibitor CCF0058981.
Biochem.Biophys.Res.Commun., 692, 2024
8WZP
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BU of 8wzp by Molmil
Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with CCF0058981
分子名称: 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide, 3C-like proteinase nsp5
著者Jiang, H.H, Zou, X.F, Zhou, X.L, Zhang, J, Li, J.
登録日2023-11-02
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal structure of SARS-CoV-2 main protease (M pro ) mutants in complex with the non-covalent inhibitor CCF0058981.
Biochem.Biophys.Res.Commun., 692, 2024
3ZDA
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BU of 3zda by Molmil
Structure of E. coli ExoIX in complex with a fragment of the Flap1 DNA oligonucleotide, potassium and magnesium
分子名称: 5'-D(*AP*AP*GP*CP*GP*CP)-3', 5'-D(*GP*CP*GP*CP)-3', MAGNESIUM ION, ...
著者Hemsworth, G.R, Anstey-Gilbert, C.S, Flemming, C.S, Hodskinson, M.R.G, Zhang, J, Sedelnikova, S.E, Stillman, T.J, Sayers, J.R, Artymiuk, P.J.
登録日2012-11-26
公開日2013-07-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Structure of E. Coli Exoix - Implications for DNA Binding and Catalysis in Flap Endonucleases
Nucleic Acids Res., 41, 2013
8HVY
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BU of 8hvy by Molmil
Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with PF07304814
分子名称: 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
著者Wang, J, Zhang, J, Li, J.
登録日2022-12-28
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
8IGA
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BU of 8iga by Molmil
Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with GC376
分子名称: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Wang, J, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8HVU
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BU of 8hvu by Molmil
Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF07304814
分子名称: 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
著者Zeng, P, Zhang, J, Li, J.
登録日2022-12-28
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
8HVV
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BU of 8hvv by Molmil
Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF07304814
分子名称: 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
著者Zeng, X.Y, Zhang, J, Li, J.
登録日2022-12-28
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
8HVX
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BU of 8hvx by Molmil
Crystal structure of SARS-Cov-2 main protease Y54C mutant in complex with PF07304814
分子名称: 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
著者Zhou, X.L, Zhang, J, Li, J.
登録日2022-12-28
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
8HVZ
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BU of 8hvz by Molmil
Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF07304814
分子名称: 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
著者Zou, X.F, Zhang, J, Li, J.
登録日2022-12-28
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
8HVW
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BU of 8hvw by Molmil
Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF07304814
分子名称: 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
著者Zou, X.F, Zhang, J, Li, J.
登録日2022-12-28
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
8IG4
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BU of 8ig4 by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with GC376
分子名称: Non-structural protein 11, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Zhou, X.L, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IG5
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BU of 8ig5 by Molmil
Crystal structure of SARS main protease in complex with GC376
分子名称: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Lin, C, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IG6
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Crystal structure of MERS main protease in complex with GC376
分子名称: N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, ORF1a
著者Lin, C, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024

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