5YBA
| Dimeric Cyclophilin from T.vaginalis in complex with Myb1 peptide | Descriptor: | Myb1 peptide, Peptidyl-prolyl cis-trans isomerase | Authors: | Cho, C.C, Lin, M.H, Martin, T, Chou, C.C, Chen, C, Hsu, C.H. | Deposit date: | 2017-09-04 | Release date: | 2018-07-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.062 Å) | Cite: | Structural basis of interaction between dimeric cyclophilin 1 and Myb1 transcription factor in Trichomonas vaginalis Sci Rep, 8, 2018
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8J3O
| Formate dehydrogenase wild-type enzyme from Candida dubliniensis complexed with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Formate dehydrogenase, MAGNESIUM ION | Authors: | Ma, W, Zheng, Y.C, Geng, Q, Chen, C. | Deposit date: | 2023-04-17 | Release date: | 2023-09-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Engineering a Formate Dehydrogenase for NADPH Regeneration. Chembiochem, 24, 2023
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8J3P
| Formate dehydrogenase mutant from from Candida dubliniensis M4 complexed with NADP+ | Descriptor: | Formate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Ma, W, Zheng, Y.C, Geng, Q, Chen, C, Xu, J.H. | Deposit date: | 2023-04-17 | Release date: | 2023-09-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Engineering a Formate Dehydrogenase for NADPH Regeneration. Chembiochem, 24, 2023
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8JO2
| Structural basis of transcriptional activation by the OmpR/PhoB-family response regulator PmrA | Descriptor: | DNA (65-MER), DNA-binding transcriptional regulator BasR, DNA-directed RNA polymerase subunit alpha, ... | Authors: | Lou, Y.-C, Huang, H.-Y, Chen, C, Wu, K.-P. | Deposit date: | 2023-06-06 | Release date: | 2023-08-30 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | Structural basis of transcriptional activation by the OmpR/PhoB-family response regulator PmrA. Nucleic Acids Res., 51, 2023
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8JTD
| BJOX2000.664 trimer in complex with Fab fragment of broadly neutralizing HIV antibody PGT145 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PGT145 antibody fragment, ... | Authors: | Chatterjee, A, Chen, C, Lee, K, Mangala Prasad, V. | Deposit date: | 2023-06-21 | Release date: | 2023-10-25 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | An HIV-1 broadly neutralizing antibody overcomes structural and dynamic variation through highly focused epitope targeting. Npj Viruses, 1, 2023
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8JTM
| CNE55.664 trimer in complex with broadly neutralizing HIV antibody PGT145 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PGT145 antibody fragment, ... | Authors: | Chatterjee, A, Chen, C, Lee, K, Mangala Prasad, V. | Deposit date: | 2023-06-22 | Release date: | 2023-10-25 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (5.14 Å) | Cite: | An HIV-1 broadly neutralizing antibody overcomes structural and dynamic variation through highly focused epitope targeting. Npj Viruses, 1, 2023
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2JWY
| Solution NMR structure of uncharacterized lipoprotein yajI from Escherichia coli. Northeast Structural Genomics target ER540 | Descriptor: | Uncharacterized lipoprotein yajI | Authors: | Liu, G, Xiao, R, Chen, C, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-10-31 | Release date: | 2007-11-20 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of uncharacterized lipoprotein yajI from Escherichia coli. To be Published
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7DNU
| mRNA-decapping enzyme g5Rp with inhibitor insp6 complex | Descriptor: | INOSITOL HEXAKISPHOSPHATE, mRNA-decapping protein g5R | Authors: | Yang, Y, Chen, C, Li, L, Li, X.H, Su, D. | Deposit date: | 2020-12-10 | Release date: | 2021-12-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.245 Å) | Cite: | Structural Insight into Molecular Inhibitory Mechanism of InsP 6 on African Swine Fever Virus mRNA-Decapping Enzyme g5Rp. J.Virol., 96, 2022
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7DNT
| mRNA-decapping enzyme g5Rp | Descriptor: | mRNA-decapping protein g5R | Authors: | Yang, Y, Chen, C, Li, L, Li, X.H, Su, D. | Deposit date: | 2020-12-10 | Release date: | 2022-03-09 | Last modified: | 2022-12-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Insight into Molecular Inhibitory Mechanism of InsP 6 on African Swine Fever Virus mRNA-Decapping Enzyme g5Rp. J.Virol., 96, 2022
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8OGX
| Beta-glucuronidase from Acidobacterium capsulatum in complex with inhibitor R3794 | Descriptor: | (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, PHOSPHATE ION, beta-glucuronidase from Acidobacterium capsulatum | Authors: | Moran, E.M, Davies, G.J, Chen, C, Nieuwendijk, E.V, Wu, L, Skoulikopoulou, F, Riet, V.V, Overkleeft, H.S, Armstrong, Z. | Deposit date: | 2023-03-20 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
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7VE6
| N-terminal domain of VraR | Descriptor: | BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Response regulator protein VraR | Authors: | Kumar, J.V, Chen, C, Hsu, C.H. | Deposit date: | 2021-09-08 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Structural insights into DNA binding domain of vancomycin-resistance-associated response regulator in complex with its promoter DNA from Staphylococcus aureus. Protein Sci., 31, 2022
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7VE4
| C-terminal domain of VraR | Descriptor: | DNA-binding response regulator | Authors: | Kumar, J.V, Chen, C, Hsu, C.H. | Deposit date: | 2021-09-08 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural insights into DNA binding domain of vancomycin-resistance-associated response regulator in complex with its promoter DNA from Staphylococcus aureus. Protein Sci., 31, 2022
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7VE5
| C-terminal domain of VraR | Descriptor: | DNA-binding response regulator, MAGNESIUM ION, R1-DNA | Authors: | Kumar, J.V, Chen, C, Hsu, C.H. | Deposit date: | 2021-09-08 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into DNA binding domain of vancomycin-resistance-associated response regulator in complex with its promoter DNA from Staphylococcus aureus. Protein Sci., 31, 2022
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7E58
| interferon-inducible anti-viral protein 2 | Descriptor: | Guanylate-binding protein 2 | Authors: | Cui, W, Wang, W, Chen, C, Slater, B, Xiong, Y, Ji, X.Y, Yang, H.T. | Deposit date: | 2021-02-18 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins. Proc.Natl.Acad.Sci.USA, 118, 2021
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7E59
| interferon-inducible anti-viral protein truncated | Descriptor: | Guanylate-binding protein 5 | Authors: | Cui, W, Wang, W, Chen, C, Slater, B, Xiong, Y, Ji, X.Y, Yang, H.T. | Deposit date: | 2021-02-18 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins. Proc.Natl.Acad.Sci.USA, 118, 2021
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7E5A
| interferon-inducible anti-viral protein R356A | Descriptor: | ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, Guanylate-binding protein 5, ... | Authors: | Cui, W, Wang, W, Chen, C, Slater, B, Xiong, Y, Ji, X.Y, Yang, H.T. | Deposit date: | 2021-02-18 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins. Proc.Natl.Acad.Sci.USA, 118, 2021
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7XT0
| Crystal structure of RNA helicase from Saint Louis encephalitis virus and discovery of its inhibitors | Descriptor: | 1,2-ETHANEDIOL, RNA helicase | Authors: | Wang, D.P, Jiang, F.Y, Zeng, X.Y, Zhao, R, Chen, C, Zhu, Y, Cao, J.M. | Deposit date: | 2022-05-15 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Crystal structure of RNA helicase from Saint Louis encephalitis virus and discovery of its inhibitors To Be Published
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7TIV
| Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB48 | Descriptor: | (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, MAGNESIUM ION | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7TIY
| Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-48 | Descriptor: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[(2,4,5-trifluorophenyl)methoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7TIU
| Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB46 | Descriptor: | (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, MAGNESIUM ION, ... | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7TIZ
| Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-63 | Descriptor: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[3-(trifluoromethyl)phenyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7TIW
| Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB54 | Descriptor: | (1S,2S)-2-[(N-{[(2-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, PHOSPHATE ION | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7TIA
| Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-14 | Descriptor: | 3C-like proteinase nsp5, THIOCYANATE ION, benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-13 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7TIX
| Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB56 | Descriptor: | 3C-like proteinase nsp5, MAGNESIUM ION, N~2~-{[(naphthalen-2-yl)methoxy]carbonyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7TJ0
| Crystal structure of SARS-CoV-2 3CL in complex with inhibitor SL-4-241 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ACETATE ION | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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