Author results

7C7P
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CRYSTAL STRUCTURE OF THE SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH TELAPREVIR
Descriptor:main protease, (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, CHLORIDE ION, ...
Authors:Zeng, R., Qiao, J.X., Wang, Y.F., Li, Y.S., Yao, R., Yang, S.Y., Lei, J.
Deposit date:2020-05-26
Release date:2020-07-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir
To Be Published
7C8B
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CRYSTAL STRUCTURE OF THE SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH Z-VAD(OME)-FMK
Descriptor:3C-like proteinase, Z-VAD(OMe)-FMK, CHLORIDE ION
Authors:Zeng, R., Qiao, J.X., Wang, Y.F., Li, Y.S., Yao, R., Yang, S.Y., Lei, J.
Deposit date:2020-05-29
Release date:2020-09-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the SARS-CoV-2 main protease in complex with Z-VAD(OMe)-FMK
To Be Published
7COM
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CRYSTAL STRUCTURE OF THE SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH BOCEPREVIR (SPACE GROUP P212121)
Descriptor:main protease, boceprevir (bound form)
Authors:Zeng, R., Qiao, J.X., Wang, Y.F., Li, Y.S., Yao, R., Liu, J.M., Zhou, Y.L., Chen, P., Yang, S.Y., Lei, J.
Deposit date:2020-08-04
Release date:2020-08-19
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of the SARS-CoV-2 main protease in complex with Boceprevir (space group P212121)
To Be Published
7CX9
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CRYSTAL STRUCTURE OF THE SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH INZ-1
Descriptor:3C protein, 3-iodanyl-1~{H}-indazole-7-carbaldehyde, GLYCEROL, ...
Authors:Zeng, R., Liu, X.L., Qiao, J.X., Nan, J.S., Wang, Y.F., Li, Y.S., Yang, S.Y., Lei, J.
Deposit date:2020-09-01
Release date:2020-09-16
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal structure of the SARS-CoV-2 main protease in complex with INZ-1
To Be Published
2P93
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FACTOR XA IN COMPLEX WITH THE INHIBITOR 5-CHLORO-N-(2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-2-CARBOXAMIDE
Descriptor:Factor Xa, 5-CHLORO-N-(2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-2-CARBOXAMIDE
Authors:Chang, C.-H.
Deposit date:2007-03-23
Release date:2007-07-24
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:SAR and X-ray structures of enantiopure 1,2-cis-(1R,2S)-cyclopentyldiamine and cyclohexyldiamine derivatives as inhibitors of coagulation Factor Xa
Bioorg.Med.Chem.Lett., 17, 2007
2P94
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FACTOR XA IN COMPLEX WITH THE INHIBITOR 3-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)CYCLOHEXYL)-1H-INDOLE-6-CARBOXAMIDE
Descriptor:Factor Xa, 3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)CYCLOHEXYL)-1H-INDOLE-6-CARBOXAMIDE
Authors:Chang, C.-H.
Deposit date:2007-03-23
Release date:2007-07-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:SAR and X-ray structures of enantiopure 1,2-cis-(1R,2S)-cyclopentyldiamine and cyclohexyldiamine derivatives as inhibitors of coagulation Factor Xa
Bioorg.Med.Chem.Lett., 17, 2007
2P95
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FACTOR XA IN COMPLEX WITH THE INHIBITOR 5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-2-CARBOXAMIDE
Descriptor:Factor Xa, 5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-2-CARBOXAMIDE
Authors:Chang, C.-H.
Deposit date:2007-03-23
Release date:2007-07-24
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:SAR and X-ray structures of enantiopure 1,2-cis-(1R,2S)-cyclopentyldiamine and cyclohexyldiamine derivatives as inhibitors of coagulation Factor Xa
Bioorg.Med.Chem.Lett., 17, 2007
3CS7
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FACTOR XA IN COMPLEX WITH THE INHIBITOR 1-(4-METHOXYPHENYL)-6-(4-(1-(PYRROLIDIN-1-YLMETHYL)CYCLOPROPYL)PHENYL)-3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE
Descriptor:Coagulation factor X, CALCIUM ION, 1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
Authors:Alexander, R.S.
Deposit date:2008-04-09
Release date:2008-07-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Achieving structural diversity using the perpendicular conformation of alpha-substituted phenylcyclopropanes to mimic the bioactive conformation of ortho-substituted biphenyl P4 moieties: discovery of novel, highly potent inhibitors of Factor Xa.
Bioorg.Med.Chem.Lett., 18, 2008
7C2I
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CRYSTAL STRUCTURE OF NSP16-NSP10 HETERODIMER FROM SARS-COV-2 IN COMPLEX WITH SAM (WITH ADDITIONAL SAM DURING CRYSTALLIZATION)
Descriptor:Replicase polyprotein 1ab, S-ADENOSYLMETHIONINE, ZINC ION
Authors:Lin, S., Chen, H., Ye, F., Chen, Z.M., Yang, F.L., Zheng, Y., Cao, Y., Qiao, J.X., Yang, S.Y., Lu, G.W.
Deposit date:2020-05-07
Release date:2020-05-27
Last modified:2020-09-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of SARS-CoV-2 nsp10/nsp16 2'-O-methylase and its implication on antiviral drug design.
Signal Transduct Target Ther, 5, 2020
7C2J
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CRYSTAL STRUCTURE OF NSP16-NSP10 HETERODIMER FROM SARS-COV-2 IN COMPLEX WITH SAM (WITHOUT ADDITIONAL SAM DURING CRYSTALLIZATION)
Descriptor:Replicase polyprotein 1ab, S-ADENOSYLMETHIONINE, ZINC ION
Authors:Lin, S., Chen, H., Ye, F., Chen, Z.M., Yang, F.L., Zheng, Y., Cao, Y., Qiao, J.X., Yang, S.Y., Lu, G.W.
Deposit date:2020-05-07
Release date:2020-05-27
Last modified:2020-09-02
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Crystal structure of SARS-CoV-2 nsp10/nsp16 2'-O-methylase and its implication on antiviral drug design.
Signal Transduct Target Ther, 5, 2020
168889
PDB entries from 2020-09-16