6VG0
| CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC ISOCITRATE DEHYDROGENASE (IDH1) R132H MUTANT IN COMPLEX WITH NADPH and AGI-15056 | 分子名称: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N~2~,N~4~-bis[(1R)-1-cyclopropylethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine | 著者 | Padyana, A, Jin, L. | 登録日 | 2020-01-07 | 公開日 | 2020-02-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | 主引用文献 | Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma. Acs Med.Chem.Lett., 11, 2020
|
|
7N5H
| Cryo-EM structure of broadly neutralizing antibody 2-36 in complex with prefusion SARS-CoV-2 spike glycoprotein | 分子名称: | 2-36 Fab heavy chain, 2-36 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Casner, R.G, Cerutti, G, Shapiro, L. | 登録日 | 2021-06-05 | 公開日 | 2021-11-03 | 最終更新日 | 2022-11-16 | 実験手法 | ELECTRON MICROSCOPY (3.24 Å) | 主引用文献 | A monoclonal antibody that neutralizes SARS-CoV-2 variants, SARS-CoV, and other sarbecoviruses. Emerg Microbes Infect, 11, 2022
|
|
5J1V
| Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW29 (compound 13) | 分子名称: | Dual specificity protein kinase CLK1, GLYCEROL, pyrido[3,4-g]quinazoline-2,10-diamine | 著者 | Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2016-03-29 | 公開日 | 2016-05-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure. Eur.J.Med.Chem., 118, 2016
|
|
5JDI
| Trypanosoma brucei PTR1 in complex with cofactor and inhibitor NMT-H024 (compound 2) | 分子名称: | 3,6-dihydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Landi, G, Pozzi, C, Di Pisa, F, Dello lacono, L, Mangani, S. | 登録日 | 2016-04-16 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs. J.Med.Chem., 59, 2016
|
|
3IDX
| Crystal structure of HIV-gp120 core in complex with CD4-binding site antibody b13, space group C222 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fab b13 heavy chain, ... | 著者 | Chen, L, Kwon, Y.D, Zhou, T, Wu, X, O'Dell, S, Cavacini, L, Hessell, A.J, Pancera, M, Tang, M, Xu, L, Yang, Z.Y, Zhang, M.Y, Arthos, J, Burton, D.R, Dimitrov, D.S, Nabel, G.J, Posner, M, Sodroski, J, Wyatt, R, Mascola, J.R, Kwong, P.D. | 登録日 | 2009-07-22 | 公開日 | 2009-11-17 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural basis of immune evasion at the site of CD4 attachment on HIV-1 gp120. Science, 326, 2009
|
|
8BZQ
| |
7PVU
| Crystal structure of p38alpha C162S in complex with CAS2094511-69-8, P 1 21 1 | 分子名称: | Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)-2-fluorobenzene-1-sulfonamide | 著者 | Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R. | 登録日 | 2021-10-05 | 公開日 | 2023-05-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.154 Å) | 主引用文献 | Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway. Nat Commun, 14, 2023
|
|
1SQQ
| Crystal Structure Analysis of Bovine Bc1 with Methoxy Acrylate Stilbene (MOAS) | 分子名称: | Cytochrome b, Cytochrome c1, heme protein, ... | 著者 | Esser, L, Quinn, B, Li, Y.F, Zhang, M, Elberry, M, Yu, L, Yu, C.A, Xia, D. | 登録日 | 2004-03-19 | 公開日 | 2005-10-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Crystallographic studies of quinol oxidation site inhibitors: a modified classification of inhibitors for the cytochrome bc(1) complex. J.Mol.Biol., 341, 2004
|
|
5CD5
| |
6VEI
| Crystal Structure of Human Cytosolic Isocitrate Dehydrogenase (IDH1) R132H Mutant in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor | 分子名称: | 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, ACETATE ION, ... | 著者 | Padyana, A, Jin, L. | 登録日 | 2020-01-02 | 公開日 | 2020-02-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma. Acs Med.Chem.Lett., 11, 2020
|
|
3IDY
| Crystal structure of HIV-gp120 core in complex with CD4-binding site antibody b13, space group C2221 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab b13 heavy chain, Fab b13 light chain, ... | 著者 | Chen, L, Kwon, Y.D, Zhou, T, Wu, X, O'Dell, S, Cavacini, L, Hessell, A.J, Pancera, M, Tang, M, Xu, L, Yang, Z.Y, Zhang, M.Y, Arthos, J, Burton, D.R, Dimitrov, D.S, Nabel, G.J, Posner, M, Sodroski, J, Wyatt, R, Mascola, J.R, Kwong, P.D. | 登録日 | 2009-07-22 | 公開日 | 2009-11-17 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structural basis of immune evasion at the site of CD4 attachment on HIV-1 gp120. Science, 326, 2009
|
|
1HEY
| |
1SQB
| Crystal Structure Analysis of Bovine Bc1 with Azoxystrobin | 分子名称: | Cytochrome b, Cytochrome c1, heme protein, ... | 著者 | Esser, L, Quinn, B, Li, Y.F, Zhang, M, Elberry, M, Yu, L, Yu, C.A, Xia, D. | 登録日 | 2004-03-18 | 公開日 | 2004-09-07 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | Crystallographic studies of quinol oxidation site inhibitors: a modified classification of inhibitors for the cytochrome bc(1) complex J.Mol.Biol., 341, 2004
|
|
6N45
| |
5J1W
| Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW31 (compound 14) | 分子名称: | Dual specificity protein kinase CLK1, GLYCEROL, PHOSPHATE ION, ... | 著者 | Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2016-03-29 | 公開日 | 2016-05-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure. Eur.J.Med.Chem., 118, 2016
|
|
7BVH
| Crystal structure of arabinosyltransferase EmbC2-AcpM2 complex from Mycobacterium smegmatis complexed with di-arabinose | 分子名称: | CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, Meromycolate extension acyl carrier protein, ... | 著者 | Zhao, Y, Zhang, L, Wu, L.J, Wang, Q, Li, J, Besra, G.S, Rao, Z.H. | 登録日 | 2020-04-10 | 公開日 | 2020-04-29 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol. Science, 368, 2020
|
|
8C67
| Crystal structure of Ab25 Fab | 分子名称: | antibody 25 heavy chain, antibody 25 light chain | 著者 | Nyblom, M, Izadi, A, Tang, D, Bahnan, W, Happonen, L, Malmstroem, J, Shannon, O, Malmstroem, L, Nordenfelt, P. | 登録日 | 2023-01-11 | 公開日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Engineering of IgG1 hinge to the flexible IgG3 hinge enhances immune defense against streptococci To Be Published
|
|
8BYR
| |
7BVF
| Cryo-EM structure of Mycobacterium tuberculosis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol | 分子名称: | CALCIUM ION, CARDIOLIPIN, Ethambutol, ... | 著者 | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | 登録日 | 2020-04-10 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2.97 Å) | 主引用文献 | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol. Science, 368, 2020
|
|
7BVC
| Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol | 分子名称: | 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ... | 著者 | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | 登録日 | 2020-04-10 | 公開日 | 2020-04-29 | 最終更新日 | 2020-07-01 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol. Science, 368, 2020
|
|
7BVE
| Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbC2-AcpM2 in complex with ethambutol | 分子名称: | CALCIUM ION, Ethambutol, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, ... | 著者 | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | 登録日 | 2020-04-10 | 公開日 | 2020-04-29 | 最終更新日 | 2020-07-01 | 実験手法 | ELECTRON MICROSCOPY (2.81 Å) | 主引用文献 | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol. Science, 368, 2020
|
|
6VFZ
| Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor. | 分子名称: | 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, CALCIUM ION, Isocitrate dehydrogenase [NADP], ... | 著者 | Padyana, A, Jin, L. | 登録日 | 2020-01-07 | 公開日 | 2020-02-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma. Acs Med.Chem.Lett., 11, 2020
|
|
5D0F
| |
1SQV
| Crystal Structure Analysis of Bovine Bc1 with UHDBT | 分子名称: | 6-HYDROXY-5-UNDECYL-1,3-BENZOTHIAZOLE-4,7-DIONE, Cytochrome b, Cytochrome c1, ... | 著者 | Esser, L, Quinn, B, Li, Y.F, Zhang, M, Elberry, M, Yu, L, Yu, C.A, Xia, D. | 登録日 | 2004-03-19 | 公開日 | 2005-09-06 | 最終更新日 | 2021-03-03 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Crystallographic studies of quinol oxidation site inhibitors: a modified classification of inhibitors for the cytochrome bc(1) complex. J.Mol.Biol., 341, 2004
|
|
1SQX
| Crystal Structure Analysis of Bovine Bc1 with Stigmatellin A | 分子名称: | Cytochrome b, Cytochrome c1, heme protein, ... | 著者 | Esser, L, Quinn, B, Li, Y.F, Zhang, M, Elberry, M, Yu, L, Yu, C.A, Xia, D. | 登録日 | 2004-03-21 | 公開日 | 2005-09-06 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystallographic studies of quinol oxidation site inhibitors: a modified classification of inhibitors for the cytochrome bc(1) complex. J.Mol.Biol., 341, 2004
|
|