7RVN
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI12 | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methylidene-L-norvalinamide | 著者 | Yang, K, Liu, W. | 登録日 | 2021-08-19 | 公開日 | 2022-07-20 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
|
|
7RVY
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI25 | 分子名称: | 3C-like proteinase, O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide | 著者 | Yang, K, Liu, W. | 登録日 | 2021-08-19 | 公開日 | 2022-07-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
|
|
7RVT
| |
7U29
| Structure of SARS-CoV-2 Mpro mutant (K90R) in complex with Nirmatrelvir (PF-07321332) | 分子名称: | (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 nsp5 | 著者 | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | 登録日 | 2022-02-23 | 公開日 | 2022-03-09 | 最終更新日 | 2022-06-15 | 実験手法 | X-RAY DIFFRACTION (2.088 Å) | 主引用文献 | Structural basis for the in vitro efficacy of nirmatrelvir against SARS-CoV-2 variants. J.Biol.Chem., 298, 2022
|
|
7U28
| Structure of SARS-CoV-2 Mpro Lambda (G15S) in complex with Nirmatrelvir (PF-07321332) | 分子名称: | (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 nsp5 | 著者 | Greasley, S.E, Ferre, R.A, Plotnikova, O, Liu, W, Stewart, A.E. | 登録日 | 2022-02-23 | 公開日 | 2022-03-09 | 最終更新日 | 2022-06-15 | 実験手法 | X-RAY DIFFRACTION (1.679 Å) | 主引用文献 | Structural basis for the in vitro efficacy of nirmatrelvir against SARS-CoV-2 variants. J.Biol.Chem., 298, 2022
|
|
8F7S
| Gi bound delta-opioid receptor in complex with deltorphin | 分子名称: | CHOLESTEROL, Delta-type opioid receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Wang, Y, Zhuang, Y, DiBerto, J.F, Zhou, X.E, Schmitz, G.P, Yuan, Q, Jain, M.K, Liu, W, Melcher, K, Jiang, Y, Roth, B.L, Xu, H.E. | 登録日 | 2022-11-20 | 公開日 | 2022-12-14 | 最終更新日 | 2023-02-01 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Structures of the entire human opioid receptor family. Cell, 186, 2023
|
|
8GXS
| PIC-Mediator in complex with +1 nucleosome (T40N) in H-binding state | 分子名称: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | 著者 | Chen, X, Wang, X, Liu, W, Ren, Y, Qu, X, Li, J, Yin, X. | 登録日 | 2022-09-21 | 公開日 | 2022-11-02 | 実験手法 | ELECTRON MICROSCOPY (4.16 Å) | 主引用文献 | Structures of +1 nucleosome-bound PIC-Mediator complex. Science, 378, 2022
|
|
8GXQ
| PIC-Mediator in complex with +1 nucleosome (T40N) in MH-binding state | 分子名称: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | 著者 | Chen, X, Wang, X, Liu, W, Ren, Y, Qu, X, Li, J, Yin, X, Xu, Y. | 登録日 | 2022-09-21 | 公開日 | 2022-11-02 | 実験手法 | ELECTRON MICROSCOPY (5.04 Å) | 主引用文献 | Structures of +1 nucleosome-bound PIC-Mediator complex. Science, 378, 2022
|
|
8GQW
| The Crystal Structures of a Swine SLA-2*HB01 Molecules Complexed with a CTL epitope from Asia1 serotype of Foot-and-mouth disease virus | 分子名称: | Hu64, MHC class I antigen, beta 2 microglobulin | 著者 | Feng, L, Gao, Y.Y, Sun, M.W, Li, Z.B, Zhang, Q, Yang, J, Qiao, C, Jin, H, Feng, H.S, Xian, Y.H, Qi, J.X, Gao, G.F, Liu, W.J, Gao, F.S. | 登録日 | 2022-08-31 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | The Parallel Presentation of Two Functional CTL Epitopes Derived from the O and Asia 1 Serotypes of Foot-and-Mouth Disease Virus and Swine SLA-2*HB01: Implications for Universal Vaccine Development. Cells, 11, 2022
|
|
8GQV
| The Crystal Structures of a Swine SLA-2*HB01 Molecules Complexed with a CTL epitope from Asia1 serotype of Foot-and-mouth disease virus | 分子名称: | As64, MHC class I antigen, beta 2 microglobulin | 著者 | Feng, L, Gao, Y.Y, Sun, M.W, Li, Z.B, Zhang, Q, Yang, J, Qiao, C, Jin, H, Feng, H.S, Xian, Y.H, Qi, J.X, Gao, G.F, Liu, W.J, Gao, F.S. | 登録日 | 2022-08-31 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The Parallel Presentation of Two Functional CTL Epitopes Derived from the O and Asia 1 Serotypes of Foot-and-Mouth Disease Virus and Swine SLA-2*HB01: Implications for Universal Vaccine Development. Cells, 11, 2022
|
|
2CTN
| STRUCTURE OF CALCIUM-SATURATED CARDIAC TROPONIN C, NMR, 30 STRUCTURES | 分子名称: | CALCIUM ION, TROPONIN C | 著者 | Sia, S.K, Li, M.X, Spyracopoulos, L, Gagne, S.M, Liu, W, Putkey, J.A, Sykes, B.D. | 登録日 | 1997-05-06 | 公開日 | 1998-05-06 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure of cardiac muscle troponin C unexpectedly reveals a closed regulatory domain. J.Biol.Chem., 272, 1997
|
|
1YWN
| Vegfr2 in complex with a novel 4-amino-furo[2,3-d]pyrimidine | 分子名称: | N-{4-[4-AMINO-6-(4-METHOXYPHENYL)FURO[2,3-D]PYRIMIDIN-5-YL]PHENYL}-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA, Vascular endothelial growth factor receptor 2 | 著者 | Miyazaki, Y, Matsunaga, S, Tang, J, Maeda, Y, Nakano, M, Philippe, R.J, Shibahara, M, Liu, W, Sato, H, Wang, L, Nolte, R.T. | 登録日 | 2005-02-18 | 公開日 | 2005-08-23 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Novel 4-amino-furo[2,3-d]pyrimidines as Tie-2 and VEGFR2 dual inhibitors Bioorg.Med.Chem.Lett., 15, 2005
|
|
2D82
| Target Structure-Based Discovery of Small Molecules that Block Human p53 and CREB Binding Protein (CBP) Association | 分子名称: | 9-ACETYL-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE, CREB-binding protein | 著者 | Sachchidanand, Resnick-Silverman, L, Yan, S, Mujtaba, S, Liu, W.J, Zeng, L, Manfredi, J.J, Zhou, M.M. | 登録日 | 2005-12-01 | 公開日 | 2006-04-04 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Target structure-based discovery of small molecules that block human p53 and CREB binding protein association Chem.Biol., 13, 2006
|
|
7Y8K
| Structure of ScIRED wild-type from Streptomyces clavuligerus | 分子名称: | Beta-hydroxyacid dehydrogenase, 3-hydroxyisobutyrate dehydrogenase | 著者 | Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T. | 登録日 | 2022-06-24 | 公開日 | 2023-03-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Engineered Imine Reductase for Larotrectinib Intermediate Manufacture Acs Catalysis, 12, 2022
|
|
5XO8
| Crystal structure of a novel ZEN lactonase mutant with ligand Z | 分子名称: | (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Lactonase for protein | 著者 | Zheng, Y.Y, Liu, W.T, Liu, W.D, Chen, C.C, Guo, R.T. | 登録日 | 2017-05-27 | 公開日 | 2018-05-02 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Crystal Structure of a Mycoestrogen-Detoxifying Lactonase from Rhinocladiella mackenziei: Molecular Insight into ZHD Substrate Selectivity Acs Catalysis, 8, 2018
|
|
6A99
| Crystal structure of a Stig cyclases Fisc from Fischerella sp. TAU in complex with (3Z)-3-(1-methyl-2-pyrrolidinylidene)-3H-indole | 分子名称: | (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, CALCIUM ION, MAGNESIUM ION, ... | 著者 | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | 登録日 | 2018-07-12 | 公開日 | 2018-12-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
|
|
6ADU
| Crystal structure of an enzyme in complex with ligand C | 分子名称: | (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | 著者 | Tan, X.K, Liu, W.D, Chen, C.C, Guo, R.T. | 登録日 | 2018-08-02 | 公開日 | 2019-08-21 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement. Angew.Chem.Int.Ed.Engl., 57, 2018
|
|
7Y8N
| Structure of ScIRED-R3-V4 from Streptomyces clavuligerus in complex with 5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole | 分子名称: | 5-[2,5-bis(fluoranyl)phenyl]-3,4-dihydro-2~{H}-pyrrole, Beta-hydroxyacid dehydrogenase, 3-hydroxyisobutyrate dehydrogenase, ... | 著者 | Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T. | 登録日 | 2022-06-24 | 公開日 | 2023-05-03 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Engineered Imine Reductase for Larotrectinib Intermediate Manufacture Acs Catalysis, 12, 2022
|
|
5XO7
| Crystal structure of a novel ZEN lactonase mutant with ligand a | 分子名称: | (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, lactonase for protein | 著者 | Zheng, Y.Y, Liu, W.T, Liu, W.D, Chen, C.C, Guo, R.T. | 登録日 | 2017-05-27 | 公開日 | 2018-05-02 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Crystal Structure of a Mycoestrogen-Detoxifying Lactonase from Rhinocladiella mackenziei: Molecular Insight into ZHD Substrate Selectivity Acs Catalysis, 8, 2018
|
|
2R9M
| Cathepsin S complexed with Compound 15 | 分子名称: | Cathepsin S, N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | 著者 | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | 登録日 | 2007-09-13 | 公開日 | 2007-12-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation To be Published
|
|
5GM3
| Crystal structure of FI-CMCase from Aspergillus aculeatus F-50 | 分子名称: | CACODYLATE ION, Endoglucanase-1, ZINC ION | 著者 | Huang, J.W, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | 登録日 | 2016-07-12 | 公開日 | 2017-05-17 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Crystal structure and genetic modifications of FI-CMCase from Aspergillus aculeatus F-50 Biochem. Biophys. Res. Commun., 478, 2016
|
|
4CKV
| Crystal structure of VEGFR-1 domain 2 in presence of Zn | 分子名称: | 1,2-ETHANEDIOL, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 1, ZINC ION | 著者 | Gaucher, J.-F, Reille-Seroussi, M, Gagey-Eilstein, N, Broussy, S, Coric, P, Seijo, B, Lascombe, M.-B, Gautier, B, Liu, W.-Q, Huguenot, F, Inguimbert, N, Bouaziz, S, Vidal, M, Broutin, I. | 登録日 | 2014-01-09 | 公開日 | 2015-01-28 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.055 Å) | 主引用文献 | Biophysical Studies of the Induced Dimerization of Human Vegf R Receptor 1 Binding Domain by Divalent Metals Competing with Vegf-A Plos One, 11, 2016
|
|
8H41
| Crystal structure of a decarboxylase from Trichosporon moniliiforme in complex with o-nitrophenol | 分子名称: | MAGNESIUM ION, O-NITROPHENOL, Salicylate decarboxylase | 著者 | Gao, J, Zhao, Y.P, Li, Q, Liu, W.D, Sheng, X. | 登録日 | 2022-10-09 | 公開日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | A Combined Computational-Experimental Study on the Substrate Binding and Reaction Mechanism of Salicylic Acid Decarboxylase Catalysts, 12, 2022
|
|
2VDF
| Structure of the OpcA adhesion from Neisseria meningitidis determined by crystallization from the cubic mesophase | 分子名称: | N-OCTANE, OUTER MEMBRANE PROTEIN, SULFATE ION | 著者 | Cherezov, V, Liu, W, Derrick, J.P, Luan, B, Aksimentiev, A, Katritch, V, Caffrey, M. | 登録日 | 2007-10-05 | 公開日 | 2007-10-23 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | In meso crystal structure and docking simulations suggest an alternative proteoglycan binding site in the OpcA outer membrane adhesin. Proteins, 71, 2008
|
|
4ANS
| Structure of L1196M,G1269A Double Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib | 分子名称: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR | 著者 | McTigue, M, Deng, Y, Liu, W, Brooun, A. | 登録日 | 2012-03-22 | 公開日 | 2013-03-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure of L1196M,G1269A Double Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib To be Published
|
|