2RCA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rca by Molmil](/molmil-images/mine/2rca) | |
2RCB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rcb by Molmil](/molmil-images/mine/2rcb) | |
2RC7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rc7 by Molmil](/molmil-images/mine/2rc7) | |
2RC8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rc8 by Molmil](/molmil-images/mine/2rc8) | |
2RC9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rc9 by Molmil](/molmil-images/mine/2rc9) | |
1NMI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1nmi by Molmil](/molmil-images/mine/1nmi) | Solution structure of the imidazole complex of iso-1 cytochrome c | 分子名称: | Cytochrome c, iso-1, HEME C, ... | 著者 | Yao, Y, Tong, Y, Liu, G, Wang, J, Zheng, J, Tang, W. | 登録日 | 2003-01-10 | 公開日 | 2003-02-04 | 最終更新日 | 2022-02-23 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the imidazole complex of iso-1 cytochrome c To be Published
|
|
2AVX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2avx by Molmil](/molmil-images/mine/2avx) | solution structure of E coli SdiA1-171 | 分子名称: | N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE, Regulatory protein sdiA | 著者 | Yao, Y, Martinez-Yamout, M.A, Dickerson, T.J, Brogan, A.P, Wright, P.E, Dyson, H.J. | 登録日 | 2005-08-30 | 公開日 | 2006-06-20 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure of the Escherichia coli quorum sensing protein SdiA: activation of the folding switch by acyl homoserine lactones. J.Mol.Biol., 355, 2006
|
|
4KCD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kcd by Molmil](/molmil-images/mine/4kcd) | Crystal Structure of the NMDA Receptor GluN3A Ligand Binding Domain Apo State | 分子名称: | GLYCEROL, Glutamate receptor ionotropic, NMDA 3A | 著者 | Yao, Y, Lau, A.Y, Mayer, M.L. | 登録日 | 2013-04-24 | 公開日 | 2013-07-31 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Conformational Analysis of NMDA Receptor GluN1, GluN2, and GluN3 Ligand-Binding Domains Reveals Subtype-Specific Characteristics. Structure, 21, 2013
|
|
2LBT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lbt by Molmil](/molmil-images/mine/2lbt) | |
1I5T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1i5t by Molmil](/molmil-images/mine/1i5t) | SOLUTION STRUCTURE OF CYANOFERRICYTOCHROME C | 分子名称: | CYANIDE ION, CYTOCHROME C, HEME C | 著者 | Yao, Y, Qian, C, Ye, K, Wang, J, Tang, W. | 登録日 | 2001-02-28 | 公開日 | 2001-03-21 | 最終更新日 | 2022-02-23 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of cyanoferricytochrome c: ligand-controlled conformational flexibility and electronic structure of the heme moiety. J.Biol.Inorg.Chem., 7, 2002
|
|
6X7I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x7i by Molmil](/molmil-images/mine/6x7i) | |
2LCA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lca by Molmil](/molmil-images/mine/2lca) | |
6MO1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mo1 by Molmil](/molmil-images/mine/6mo1) | Structure of dengue virus protease with an allosteric Inhibitor that blocks replication | 分子名称: | 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-[(piperidin-4-yl)methyl]pyrazin-2-amine, FLAVIVIRUS_NS2B/Peptidase S7 | 著者 | Lin, Y.-L, Hua, Y, Nie, S, Wu, J, Wu, F, Huo, T, Yao, Y, Song, Y. | 登録日 | 2018-10-03 | 公開日 | 2019-05-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Discovery, X-ray Crystallography and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease. J.Am.Chem.Soc., 141, 2019
|
|
6MO0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mo0 by Molmil](/molmil-images/mine/6mo0) | Structure of dengue virus protease with an allosteric Inhibitor that blocks replication | 分子名称: | 1-(4-{3-[4-(furan-3-yl)phenyl]-5-[(piperidin-4-yl)methoxy]pyrazin-2-yl}phenyl)methanamine, FLAVIVIRUS_NS2B/Peptidase S7 | 著者 | Lin, Y.-L, Nie, S, Hua, Y, Wu, J, Wu, F, Huo, T, Yao, Y, Song, Y. | 登録日 | 2018-10-03 | 公開日 | 2019-05-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery, X-ray Crystallography and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease. J. Am. Chem. Soc., 141, 2019
|
|
6MO2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mo2 by Molmil](/molmil-images/mine/6mo2) | Structure of dengue virus protease with an allosteric Inhibitor that blocks replication | 分子名称: | 1-(4-{5-[(piperidin-4-yl)methoxy]-3-[4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl}phenyl)methanamine, FLAVIVIRUS_NS2B/Peptidase S7 | 著者 | Lin, Y.-L, Nie, S, Hua, Y, Wu, J, Wu, F, Huo, T, Yao, Y, Song, Y. | 登録日 | 2018-10-03 | 公開日 | 2019-05-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery, X-ray Crystallography and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease. J.Am.Chem.Soc., 141, 2019
|
|
3SR4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sr4 by Molmil](/molmil-images/mine/3sr4) | Crystal Structure of Human DOT1L in Complex with a Selective Inhibitor | 分子名称: | (2S)-2-azanyl-4-[[(2S,3S,4R,5R)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, ACETATE ION, GLYCEROL, ... | 著者 | Diao, J, Chen, P, Yao, Y, Prasad, B.V.V, Song, Y. | 登録日 | 2011-07-06 | 公開日 | 2011-10-05 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Selective Inhibitors of Histone Methyltransferase DOT1L: Design, Synthesis, and Crystallographic Studies. J.Am.Chem.Soc., 133, 2011
|
|
4I3L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i3l by Molmil](/molmil-images/mine/4i3l) | Crystal structure of a metabolic reductase with 6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one | 分子名称: | 6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Zheng, B, Yao, Y, Liu, Z, Deng, L, Anglin, J.L, Jiang, H, Prasad, B.V.V, Song, Y. | 登録日 | 2012-11-26 | 公開日 | 2013-05-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.292 Å) | 主引用文献 | Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase. ACS Med Chem Lett, 4, 2013
|
|
4ID7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4id7 by Molmil](/molmil-images/mine/4id7) | ACK1 kinase in complex with the inhibitor cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol | 分子名称: | Activated CDC42 kinase 1, SULFATE ION, cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol | 著者 | Jin, M, Wang, J, Kleinberg, A, Kadalbajoo, M, Siu, K, Cooke, A, Bittner, M, Yao, Y, Thelemann, A, Ji, Q, Bhagwat, S, Crew, A.P, Pachter, J, Epstein, D, Mulvihill, M.J. | 登録日 | 2012-12-11 | 公開日 | 2013-01-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Discovery of potent, selective and orally bioavailable imidazo[1,5-a]pyrazine derived ACK1 inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
|
|
1M60
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m60 by Molmil](/molmil-images/mine/1m60) | Solution Structure of Zinc-substituted cytochrome c | 分子名称: | ZINC SUBSTITUTED HEME C, Zinc-substituted cytochrome c | 著者 | Qian, C, Yao, Y, Tong, Y, Wang, J, Tang, W. | 登録日 | 2002-07-11 | 公開日 | 2002-08-07 | 最終更新日 | 2022-02-23 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural analysis of zinc-substituted cytochrome c. J.Biol.Inorg.Chem., 8, 2003
|
|
4XS3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xs3 by Molmil](/molmil-images/mine/4xs3) | Crystal structure of a metabolic reductase with (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one | 分子名称: | (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Zheng, B, Wu, F, Jiang, H, Kogiso, M, Yao, Y, Zhou, C, Li, X, Song, Y. | 登録日 | 2015-01-21 | 公開日 | 2016-07-27 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.291 Å) | 主引用文献 | Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds. J.Med.Chem., 58, 2015
|
|
4XRX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xrx by Molmil](/molmil-images/mine/4xrx) | Crystal structure of a metabolic reductase with (E)-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one | 分子名称: | 5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Zheng, B, Wu, F, Jiang, H, Kogiso, M, Yao, Y, Zhou, C, Li, X, Song, Y. | 登録日 | 2015-01-21 | 公開日 | 2015-12-09 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds. J.Med.Chem., 58, 2015
|
|
1NMJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1nmj by Molmil](/molmil-images/mine/1nmj) | |
2QC1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qc1 by Molmil](/molmil-images/mine/2qc1) | Crystal structure of the extracellular domain of the nicotinic acetylcholine receptor 1 subunit bound to alpha-bungarotoxin at 1.9 A resolution | 分子名称: | Acetylcholine receptor subunit alpha, Alpha-bungarotoxin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Dellisanti, C.D, Yao, Y, Stroud, J.C, Wang, Z, Chen, L. | 登録日 | 2007-06-18 | 公開日 | 2007-08-07 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Crystal structure of the extracellular domain of nAChR alpha1 bound to alpha-bungarotoxin at 1.94 A resolution. Nat.Neurosci., 10, 2007
|
|
5V9U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v9u by Molmil](/molmil-images/mine/5v9u) | Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C | 分子名称: | (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ... | 著者 | Janes, M.R, Zhang, J, Li, L.-S, Hansen, R, Peters, U, Guo, X, Chen, Y, Babbar, A, Firdaus, S.J, Feng, J, Chen, J.H, Li, S, Brehmer, D, Darjania, L, Li, S, Long, Y.O, Thach, C, Liu, Y, Zarieh, A, Ely, T, Kucharski, J.M, Kessler, L.V, Wu, T, Wang, Y, Yao, Y, Deng, X, Zarrinkar, P, Dashyant, D, Lorenzi, M.V, Hu-Lowe, D, Patricelli, M.P, Ren, P, Liu, Y. | 登録日 | 2017-03-23 | 公開日 | 2018-02-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor. Cell, 172, 2018
|
|
1I5U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1i5u by Molmil](/molmil-images/mine/1i5u) | SOLUTION STRUCTURE OF CYTOCHROME B5 TRIPLE MUTANT (E48A/E56A/D60A) | 分子名称: | CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Qian, C, Yao, Y, Tang, W, Wang, J, Zhongxian, H. | 登録日 | 2001-02-28 | 公開日 | 2001-03-21 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Effects of charged amino-acid mutation on the solution structure of cytochrome b(5) and binding between cytochrome b(5) and cytochrome c. Protein Sci., 10, 2001
|
|