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
|
|
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
|
|
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: | 2024-10-16 | | 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
|
|
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: | 2024-10-16 | | 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
|
|
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
|
|
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
|
|
6N9W
 | | Structure of bacteriophage T7 lagging-strand DNA polymerase (D5A/E7A) and gp4 (helicase/primase) bound to DNA including RNA/DNA hybrid, and an incoming dTTP (LagS2) | | Descriptor: | DNA primase/helicase, DNA-directed DNA polymerase, MAGNESIUM ION, ... | | Authors: | Gao, Y, Cui, Y, Zhou, Z, Yang, W. | | Deposit date: | 2018-12-04 | | Release date: | 2019-03-06 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structures and operating principles of the replisome.
Science, 363, 2019
|
|
2VUM
 | | Alpha-amanitin inhibited complete RNA polymerase II elongation complex | | Descriptor: | 5'-D(*AP*AP*AP*CP*TP*AP*CP*TP*TP*GP *AP*GP*CP*T)-3', 5'-D(*AP*GP*CP*TP*CP*AP*AP*GP*TP*AP *GP*TP*TP*AP*CP*GP*CP*CP*BRUP*GP*GP*TP*CP*AP*TP*T)-3', 5'-R(*AP*AP*AP*GP*AP*CP*CP*AP*GP*GP*C)-3', ... | | Authors: | Brueckner, F, Cramer, P. | | Deposit date: | 2008-05-27 | | Release date: | 2008-06-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural Basis of Transcription Inhibition by Alpha-Amanitin and Implications for RNA Polymerase II Translocation.
Nat.Struct.Mol.Biol., 15, 2008
|
|
4MZC
 | | Atomic Resolution Structure of PfGrx1 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Glutaredoxin | | Authors: | Yogavel, M, Sharma, A. | | Deposit date: | 2013-09-30 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.949 Å) | | Cite: | Atomic resolution crystal structure of glutaredoxin 1 from Plasmodium falciparum and comparison with other glutaredoxins.
Acta Crystallogr.,Sect.D, 70, 2014
|
|
4MKN
 | | Crystal structure of chloroplastic triosephosphate isomerase from Chlamydomonas reinhardtii at 1.1 A of resolution | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Triosephosphate isomerase | | Authors: | Fermani, S, Sciabolini, C, Zaffagnini, M, Lemaire, S.D. | | Deposit date: | 2013-09-05 | | Release date: | 2014-01-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | High-Resolution Crystal Structure and Redox Properties of Chloroplastic Triosephosphate Isomerase from Chlamydomonas reinhardtii.
Mol Plant, 7, 2014
|
|
1QFN
 | |
5GTX
 | | Crystal structure of mutated buckwheat glutaredoxin | | Descriptor: | buckwheat glutaredoxin | | Authors: | Zhang, X, Wang, W, Zhao, Y, Wang, Z, Wang, H. | | Deposit date: | 2016-08-23 | | Release date: | 2017-07-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural insights into the binding of buckwheat glutaredoxin with GSH and regulation of its catalytic activity
J. Inorg. Biochem., 173, 2017
|
|
1R26
 | | Crystal structure of thioredoxin from Trypanosoma brucei brucei | | Descriptor: | Thioredoxin | | Authors: | Friemann, R, Schmidt, H, Ramaswamy, S, Forstner, M, Krauth-Siegel, R.L, Eklund, H. | | Deposit date: | 2003-09-26 | | Release date: | 2003-12-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of thioredoxin from Trypanosoma brucei brucei
FEBS Lett., 554, 2003
|
|
4N11
 | |
4N0Z
 | |
4MZB
 | | Crystal structure of Grx1 from Plasmodium falciparum | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Glutaredoxin | | Authors: | Yogavel, M, Sharma, A. | | Deposit date: | 2013-09-30 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.038 Å) | | Cite: | Atomic resolution crystal structure of glutaredoxin 1 from Plasmodium falciparum and comparison with other glutaredoxins.
Acta Crystallogr.,Sect.D, 70, 2014
|
|
4N10
 | |
3ZIJ
 | |
3WQK
 | | Crystal structure of Rv3378c with PO4 | | Descriptor: | Diterpene synthase, PHOSPHATE ION | | Authors: | Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T. | | Deposit date: | 2014-01-28 | | Release date: | 2014-02-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
J.Am.Chem.Soc., 136, 2014
|
|
3WQL
 | | Crystal structure of Rv3378c with Mg2+ and PPi | | Descriptor: | Diterpene synthase, MAGNESIUM ION | | Authors: | Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T. | | Deposit date: | 2014-01-28 | | Release date: | 2014-02-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
J.Am.Chem.Soc., 136, 2014
|
|
3ZIT
 | |
4HJM
 | |
3RPN
 | | Crystal structure of human kappa class glutathione transferase in complex with S-hexylglutathione | | Descriptor: | Glutathione S-transferase kappa 1, S-HEXYLGLUTATHIONE | | Authors: | Wang, B, Peng, Y, Zhang, T, Ding, J. | | Deposit date: | 2011-04-27 | | Release date: | 2011-07-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures and kinetic studies of human Kappa class glutathione transferase provide insights into the catalytic mechanism.
Biochem.J., 439, 2011
|
|
3TKR
 | | Crystal structure of full-length human peroxiredoxin 4 with T118E mutation | | Descriptor: | Peroxiredoxin-4 | | Authors: | Wang, X, Wang, L, Wang, X, Sun, F, Wang, C.-C. | | Deposit date: | 2011-08-28 | | Release date: | 2011-10-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural insights into the peroxidase activity and inactivation of human peroxiredoxin 4
Biochem.J., 2011
|
|
3TKQ
 | | Crystal structure of full-length human peroxiredoxin 4 with mixed conformation | | Descriptor: | Peroxiredoxin-4 | | Authors: | Wang, X, Wang, L, Wang, X, Sun, F, Wang, C.-C. | | Deposit date: | 2011-08-28 | | Release date: | 2011-10-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structural insights into the peroxidase activity and inactivation of human peroxiredoxin 4
Biochem.J., 2011
|
|
