6ADT
 
 | |
6ADS
 | |
5QQP
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(5E,8S)-8-[(4S)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | 著者 | Sheriff, S. | | 登録日 | 2019-05-20 | | 公開日 | 2019-09-18 | | 最終更新日 | 2021-05-12 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability.
Bioorg.Med.Chem.Lett., 29, 2019
|
|
5QQO
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(5E,8S)-8-[(6R)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, MET-ASP-ASP-ASP-ASP-LYS-MET-ASP-ASN-GLU-CYS-THR-THR-LYS-ILE-LYS-PRO-ARG, ... | | 著者 | Sheriff, S. | | 登録日 | 2019-05-20 | | 公開日 | 2019-09-18 | | 最終更新日 | 2021-05-12 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability.
Bioorg.Med.Chem.Lett., 29, 2019
|
|
8GWE
 | | SARS-CoV-2 E-RTC complex with RNA-nsp9 and GMPPNP | | 分子名称: | Helicase nsp13, MAGNESIUM ION, Non-structural protein 8, ... | | 著者 | Yan, L.M, Rao, Z.H, Lou, Z.Y. | | 登録日 | 2022-09-16 | | 公開日 | 2023-01-11 | | 最終更新日 | 2023-10-25 | | 実験手法 | ELECTRON MICROSCOPY (2.66 Å) | | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
|
|
8GWF
 | | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ... | | 著者 | Yan, L.Y, Huang, Y.C, Rao, Z.H, Lou, Z.Y. | | 登録日 | 2022-09-17 | | 公開日 | 2023-01-11 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.39 Å) | | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
|
|
4CDQ
 | | Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP2 | | 分子名称: | 4-((5-(2-oxo-3-(pyridin-4-yl)imidazolidin-1-yl)pentyl)oxy)benzaldehyde O-ethyl oxime, SODIUM ION, VP1, ... | | 著者 | DeColibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | | 登録日 | 2013-11-05 | | 公開日 | 2014-02-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
|
|
4CEW
 | | Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor ALD | | 分子名称: | 4-[3-[(3s)-5-[4-[(e)-ethoxyiminomethyl]phenoxy]-3-methyl-pentyl]-2-oxidanylidene-imidazolidin-1-yl]pyridine-2-carboxamide, VP1, VP2, ... | | 著者 | De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | | 登録日 | 2013-11-12 | | 公開日 | 2014-02-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules.
Nat.Struct.Mol.Biol., 21, 2014
|
|
8GWM
 | | SARS-CoV-2 E-RTC bound with MMP-nsp9 and GMPPNP | | 分子名称: | 2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate), Helicase, Non-structural protein 7, ... | | 著者 | Yan, L.M, Rao, Z.H, Lou, Z.Y. | | 登録日 | 2022-09-17 | | 公開日 | 2024-02-28 | | 実験手法 | ELECTRON MICROSCOPY (2.64 Å) | | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
|
|
8GWK
 | | SARS-CoV-2 RNA E-RTC complex with RMP-nsp9 and GMPPNP | | 分子名称: | Helicase, MAGNESIUM ION, Non-structural protein 7, ... | | 著者 | Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y. | | 登録日 | 2022-09-17 | | 公開日 | 2024-02-28 | | 実験手法 | ELECTRON MICROSCOPY (2.72 Å) | | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
|
|
4TW2
 | | Crystal Structure of SCARB2 in Neural Condition (pH7.5) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Scavenger receptor class B member 2, ... | | 著者 | Dang, M.H, Wang, X.X, Rao, Z.H. | | 登録日 | 2014-06-29 | | 公開日 | 2015-07-08 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.889 Å) | | 主引用文献 | Molecular mechanism of SCARB2-mediated attachment and uncoating of EV71
Protein Cell, 5, 2014
|
|
8GWO
 | | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | | 分子名称: | Helicase, Non-structural protein 7, Non-structural protein 8, ... | | 著者 | Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y. | | 登録日 | 2022-09-17 | | 公開日 | 2022-11-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
|
|
8GWG
 | | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ... | | 著者 | Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y. | | 登録日 | 2022-09-17 | | 公開日 | 2022-12-14 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.37 Å) | | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
|
|
8GWI
 | | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ... | | 著者 | Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y. | | 登録日 | 2022-09-17 | | 公開日 | 2022-12-14 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.18 Å) | | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
|
|
8GWB
 | | SARS-CoV-2 E-RTC complex with RNA-nsp9 | | 分子名称: | Helicase, MANGANESE (II) ION, Non-structural protein 7, ... | | 著者 | Yan, L.M, Rao, Z.H, Lou, Z.Y. | | 登録日 | 2022-09-16 | | 公開日 | 2022-12-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | ELECTRON MICROSCOPY (2.75 Å) | | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
|
|
8GWN
 | | A mechanism for SARS-CoV-2 RNA capping and its inhibitor of AT-527 | | 分子名称: | Helicase, Non-structural protein 7, Non-structural protein 8, ... | | 著者 | Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y. | | 登録日 | 2022-09-17 | | 公開日 | 2022-12-14 | | 最終更新日 | 2023-10-25 | | 実験手法 | ELECTRON MICROSCOPY (3.38 Å) | | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
|
|
5QCK
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(2~{S},3~{R})-1-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid | | 分子名称: | 1,2-ETHANEDIOL, 4-[[(2~{S},3~{R})-1-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid, Coagulation factor XI, ... | | 著者 | Sheriff, S. | | 登録日 | 2017-08-10 | | 公開日 | 2017-11-08 | | 最終更新日 | 2018-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212).
J. Med. Chem., 60, 2017
|
|
5QCM
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[[(1~{S})-2-[(~{E})-3-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]phenyl]carbamate | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | 著者 | Sheriff, S. | | 登録日 | 2017-08-10 | | 公開日 | 2017-11-08 | | 最終更新日 | 2018-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212).
J. Med. Chem., 60, 2017
|
|
5QCL
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid | | 分子名称: | 1,2-ETHANEDIOL, 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid, Coagulation factor XI, ... | | 著者 | Sheriff, S. | | 登録日 | 2017-08-10 | | 公開日 | 2017-11-08 | | 最終更新日 | 2018-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212).
J. Med. Chem., 60, 2017
|
|
5QCN
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid | | 分子名称: | 1,2-ETHANEDIOL, 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid, Coagulation factor XI, ... | | 著者 | Sheriff, S. | | 登録日 | 2017-08-10 | | 公開日 | 2017-11-08 | | 最終更新日 | 2018-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212).
J. Med. Chem., 60, 2017
|
|
5GO3
 | | Crystal structure of a di-nucleotide cyclase Vibrio mutant | | 分子名称: | Cyclic GMP-AMP synthase | | 著者 | Ming, Z.H, Wang, W, Xie, Y.C, Chen, Y.C, Yan, L.M, Lou, Z.Y. | | 登録日 | 2016-07-26 | | 公開日 | 2016-11-02 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structure of a di-nucleotide cyclase Vibrio mutant
To Be Published
|
|
6IHB
 | |
6IH9
 | |
6JYT
 | |
3CM8
 | | A RNA polymerase subunit structure from virus | | 分子名称: | Polymerase acidic protein, peptide from RNA-directed RNA polymerase catalytic subunit | | 著者 | He, X, Zhou, J, Zeng, Z, Ma, J, Zhang, R, Rao, Z, Liu, Y. | | 登録日 | 2008-03-21 | | 公開日 | 2008-07-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.899 Å) | | 主引用文献 | Crystal structure of the polymerase PAC-PB1N complex from an avian influenza H5N1 virus
Nature, 454, 2008
|
|
