8J39
 
 | | Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF00835231 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2023-04-16 | | Release date: | 2024-04-17 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structural basis for the inhibition of coronaviral main proteases by PF-00835231.
Acta Biochim.Biophys.Sin., 56, 2024
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8J36
 | | Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF00835231 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2023-04-16 | | Release date: | 2024-05-01 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structural basis for the inhibition of coronaviral main proteases by PF-00835231.
Acta Biochim.Biophys.Sin., 56, 2024
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8JY0
 | | Crystal structure of RhoBAST complexed with TMR-DN | | Descriptor: | 2,4-dinitroaniline, 5-aminocarbonyl-2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]benzoate, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Zhang, Y, Xiao, Y, Xu, Z, Fang, X. | | Deposit date: | 2023-07-02 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural mechanisms for binding and activation of a contact-quenched fluorophore by RhoBAST.
Nat Commun, 15, 2024
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8X1W
 | | CYP725A4 apo structure | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Taxadiene 5-alpha hydroxylase | | Authors: | Chang, Z, Wang, Q. | | Deposit date: | 2023-11-09 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Unraveling the Catalytic Mechanism of Taxadiene-5alpha-hydroxylase from Crystallography and Computational Analyses.
Acs Catalysis, 14, 2024
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8X3E
 | | CYP725A4-Taxa-4,11-diene complex | | Descriptor: | (1~{R},3~{R},8~{R})-4,8,12,15,15-pentamethyltricyclo[9.3.1.0^{3,8}]pentadeca-4,11-diene, PROTOPORPHYRIN IX CONTAINING FE, Taxadiene 5-alpha hydroxylase | | Authors: | Chang, Z, Wang, Q. | | Deposit date: | 2023-11-13 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Unraveling the Catalytic Mechanism of Taxadiene-5alpha-hydroxylase from Crystallography and Computational Analyses.
Acs Catalysis, 14, 2024
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7CF9
 | | Structure of RyR1 (Ca2+/CHL) | | Descriptor: | 5-bromanyl-N-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide, CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ... | | Authors: | Ma, R, Haji-Ghassemi, O, Ma, D, Lin, L, Samurkas, A, Van Petegem, F, Yuchi, Z. | | Deposit date: | 2020-06-24 | | Release date: | 2020-09-02 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Structural basis for diamide modulation of ryanodine receptor.
Nat.Chem.Biol., 16, 2020
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7VTC
 | | Crystal structure of MERS main protease in complex with PF07321332 | | Descriptor: | (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 | | Authors: | Lin, C, Zhong, F.L, Zhou, X.L, Zhang, J, Li, J. | | Deposit date: | 2021-10-28 | | Release date: | 2022-03-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.53865623 Å) | | Cite: | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
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7VVP
 | | Crystal structure of SARS-Cov-2 main protease in complex with PF07304814 | | Descriptor: | 3C-like proteinase, [(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 | | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Zeng, P, Zhang, J, Li, J. | | Deposit date: | 2021-11-07 | | Release date: | 2022-08-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural Basis of Main Proteases of Coronavirus Bound to Drug Candidate PF-07304814
J.Mol.Biol., 434, 2022
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7W2P
 | | Tudor domain of SMN in complex with a small molecule | | Descriptor: | 2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7)-dien-8-imine, MAGNESIUM ION, Survival motor neuron protein, ... | | Authors: | Li, W, Arrowsmith, C.H, Edwards, A.M, Liu, Y, Min, J. | | Deposit date: | 2021-11-24 | | Release date: | 2022-10-05 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.
Nat Commun, 13, 2022
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7VLQ
 | | Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P212121 | | Descriptor: | (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 | | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Zhang, J, Li, J. | | Deposit date: | 2021-10-05 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.939106 Å) | | Cite: | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
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7VLO
 | | Crystal structure of SARS coronavirus main protease in complex with PF07321332 | | Descriptor: | (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 | | Authors: | Lin, C, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J. | | Deposit date: | 2021-10-05 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.0227 Å) | | Cite: | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
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7VLP
 | | Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P1211 | | Descriptor: | (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 | | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Li, J, Zhang, J. | | Deposit date: | 2021-10-05 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.50251937 Å) | | Cite: | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
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7WQH
 | | Crystal structure of HCoV-NL63 main protease with PF07304814 | | Descriptor: | 3C-like proteinase, [(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 | | Authors: | Zhong, F.L, Zhou, X.L, Lin, C, Zeng, P, Li, J, Zhang, J. | | Deposit date: | 2022-01-25 | | Release date: | 2022-08-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Structural Basis of Main Proteases of Coronavirus Bound to Drug Candidate PF-07304814
J.Mol.Biol., 434, 2022
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7WQJ
 | | Crystal structure of MERS main protease in complex with PF07304814 | | Descriptor: | 3C-like proteinase, [(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 | | Authors: | Lin, C, Zhang, J, Li, J. | | Deposit date: | 2022-01-25 | | Release date: | 2022-08-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural Basis of Main Proteases of Coronavirus Bound to Drug Candidate PF-07304814
J.Mol.Biol., 434, 2022
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7W30
 | | Tudor domain of SMN in complex with a small molecule | | Descriptor: | 1,2-dimethylquinolin-4-imine, Survival motor neuron protein, UNKNOWN ATOM OR ION | | Authors: | Li, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Liu, Y, Min, J. | | Deposit date: | 2021-11-24 | | Release date: | 2022-10-05 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.
Nat Commun, 13, 2022
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7E53
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7F2B
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5YPS
 | | The structural basis of histone chaperoneVps75 | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Chen, Y, Zhang, Y, Dou, Y, Wang, M, Xu, S, Jiang, H, Limper, A, Su, D. | | Deposit date: | 2017-11-03 | | Release date: | 2018-11-07 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.097 Å) | | Cite: | Structural basis for the acetylation of histone H3K9 and H3K27 mediated by the histone chaperone Vps75 inPneumocystis carinii.
Signal Transduct Target Ther, 4, 2019
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5ZB5
 | | The structural basis of histone chaperoneVps75 | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, NAP family histone chaperone vps75 | | Authors: | Chen, Y, Zhang, Y, Dou, Y, Wang, M, Xu, S, Jiang, H, Limper, A, Su, D. | | Deposit date: | 2018-02-09 | | Release date: | 2019-02-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.299 Å) | | Cite: | Structural basis for the acetylation of histone H3K9 and H3K27 mediated by the histone chaperone Vps75 inPneumocystis carinii.
Signal Transduct Target Ther, 4, 2019
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5VZ2
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5W18
 | | Staphylococcus aureus ClpP in complex with (S)-N-((2R,6S,8aS,14aS,20S,23aS)-2,6-dimethyl-5,8,14,19,23-pentaoxooctadecahydro-1H,5H,14H,19H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1]oxa[4,7,10,13]tetraazacyclohexadecin-20-yl)-3-phenyl-2-(3-phenylureido)propanamide | | Descriptor: | 9V7-PHE-SER-PRO-YCP-ALA-MP8, ATP-dependent Clp protease proteolytic subunit | | Authors: | Lee, R.E, Griffith, E.C. | | Deposit date: | 2017-06-02 | | Release date: | 2017-08-09 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Ureadepsipeptides as ClpP Activators.
Acs Infect Dis., 2019
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5ZIT
 | | Crystal structure of human Enterovirus D68 RdRp in complex with NADPH | | Descriptor: | DI(HYDROXYETHYL)ETHER, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, RdRp | | Authors: | Wang, M.L, Li, L, Chen, Y.P, Jiang, H, Zhang, Y, Su, D. | | Deposit date: | 2018-03-17 | | Release date: | 2019-04-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.196 Å) | | Cite: | Structure of the enterovirus D68 RNA-dependent RNA polymerase in complex with NADPH implicates an inhibitor binding site in the RNA template tunnel.
J.Struct.Biol., 2020
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