8IPS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ips by Molmil](/molmil-images/mine/8ips) | |
8IPR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ipr by Molmil](/molmil-images/mine/8ipr) | |
8IPQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ipq by Molmil](/molmil-images/mine/8ipq) | |
2O9Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2o9q by Molmil](/molmil-images/mine/2o9q) | The crystal structure of Bovine Trypsin complexed with a small inhibition peptide ORB2K | 分子名称: | CALCIUM ION, Cationic trypsin, ORB2K, ... | 著者 | Li, J, Zhang, C, Xu, X, Wang, J, Gong, W, Lai, R. | 登録日 | 2006-12-14 | 公開日 | 2007-12-25 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | From protease inhibitor to antibiotics: single point mutation makes tremendous functional shift To be Published
|
|
3INQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3inq by Molmil](/molmil-images/mine/3inq) | Crystal structure of BCL-XL in complex with W1191542 | 分子名称: | 1,2-ETHANEDIOL, 4-[4-(biphenyl-3-ylmethyl)piperazin-1-yl]-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide, Bcl-2-like protein 1, ... | 著者 | Fairlie, W.D, Smith, B.J, Colman, P.M, Czabotar, P.E, Lee, E.F. | 登録日 | 2009-08-12 | 公開日 | 2009-09-01 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands J. Biol. Chem., 284, 2009
|
|
3UJK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ujk by Molmil](/molmil-images/mine/3ujk) | Crystal structure of protein phosphatase ABI2 | 分子名称: | MAGNESIUM ION, Protein phosphatase 2C 77 | 著者 | Zhou, X.E, Soon, F.-F, Ng, L.-M, Kovach, A, Tan, M.H.E, Suino-Powell, K.M, He, Y, Xu, Y, Brunzelle, J.S, Li, J, Melcher, K, Xu, H.E. | 登録日 | 2011-11-07 | 公開日 | 2012-02-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Molecular mimicry regulates ABA signaling by SnRK2 kinases and PP2C phosphatases. Science, 335, 2012
|
|
7VIJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vij by Molmil](/molmil-images/mine/7vij) | Crystal structure of USP7-HUBL domain | 分子名称: | Ubiquitin carboxyl-terminal hydrolase 7 | 著者 | Feng, N, Zeng, K.W. | 登録日 | 2021-09-27 | 公開日 | 2022-08-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Neuroinflammation inhibition by small-molecule targeting USP7 noncatalytic domain for neurodegenerative disease therapy. Sci Adv, 8, 2022
|
|
3U2Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3u2z by Molmil](/molmil-images/mine/3u2z) | Activator-Bound Structure of Human Pyruvate Kinase M2 | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 6-(3-aminobenzyl)-4-methyl-2-methylsulfinyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one, Pyruvate kinase isozymes M1/M2, ... | 著者 | Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Inglese, J, Park, H, Structural Genomics Consortium (SGC) | 登録日 | 2011-10-04 | 公開日 | 2012-09-12 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Pyruvate kinase M2 activators promote tetramer formation and suppress tumorigenesis. Nat.Chem.Biol., 8, 2012
|
|
3UJG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ujg by Molmil](/molmil-images/mine/3ujg) | Crystal structure of SnRK2.6 in complex with HAB1 | 分子名称: | MAGNESIUM ION, Protein phosphatase 2C 16, SULFATE ION, ... | 著者 | Zhou, X.E, Soon, F.-F, Ng, L.-M, Kovach, A, Tan, M.H.E, Suino-Powell, K.M, He, Y, Xu, Y, Brunzelle, J.S, Li, J, Melcher, K, Xu, H.E. | 登録日 | 2011-11-07 | 公開日 | 2012-02-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Molecular mimicry regulates ABA signaling by SnRK2 kinases and PP2C phosphatases. Science, 335, 2012
|
|
3UJL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ujl by Molmil](/molmil-images/mine/3ujl) | Crystal structure of abscisic acid bound PYL2 in complex with type 2C protein phosphatase ABI2 | 分子名称: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL2, MAGNESIUM ION, ... | 著者 | Zhou, X.E, Soon, F.-F, Ng, L.-M, Kovach, A, Tan, M.H.E, Suino-Powell, K.M, He, Y, Xu, Y, Brunzelle, J.S, Li, J, Melcher, K, Xu, H.E. | 登録日 | 2011-11-07 | 公開日 | 2012-02-15 | 最終更新日 | 2012-03-28 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Molecular mimicry regulates ABA signaling by SnRK2 kinases and PP2C phosphatases. Science, 335, 2012
|
|
7WNX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wnx by Molmil](/molmil-images/mine/7wnx) | Cryo-EM structure of Mycobacterium smegmatis MmpL3 complexed with ST004 in lipid nanodiscs | 分子名称: | N-[2-(2-adamantylamino)ethyl]-1-[2,4-bis(fluoranyl)phenyl]-5-(4-chlorophenyl)-4-methyl-pyrazole-3-carboxamide, Trehalose monomycolate exporter MmpL3 | 著者 | Zhang, B, Hu, T, Yang, X, Liu, F, Rao, Z. | 登録日 | 2022-01-20 | 公開日 | 2022-08-03 | 最終更新日 | 2024-04-10 | 実験手法 | ELECTRON MICROSCOPY (3.36 Å) | 主引用文献 | Structure-based design of anti-mycobacterial drug leads that target the mycolic acid transporter MmpL3. Structure, 30, 2022
|
|
6M71
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6m71 by Molmil](/molmil-images/mine/6m71) | SARS-Cov-2 RNA-dependent RNA polymerase in complex with cofactors | 分子名称: | Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase | 著者 | Gao, Y, Yan, L, Huang, Y, Liu, F, Cao, L, Wang, T, Wang, Q, Lou, Z, Rao, Z. | 登録日 | 2020-03-16 | 公開日 | 2020-04-01 | 最終更新日 | 2021-03-10 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Structure of the RNA-dependent RNA polymerase from COVID-19 virus. Science, 368, 2020
|
|
5TPX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tpx by Molmil](/molmil-images/mine/5tpx) | Bromodomain from Plasmodium Faciparum Gcn5, complexed with compound | 分子名称: | (1S,2S)-N~1~,N~1~-dimethyl-N~2~-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-phenylpropane-1,2-diamine, CHLORIDE ION, Histone acetyltransferase GCN5, ... | 著者 | Lin, Y.H, Hou, C.F.D, MOUSTAKIM, M, DIXON, D.J, Loppnau, P, Tempel, W, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, BRENNAN, P.E, Walker, J.R, Structural Genomics Consortium (SGC) | 登録日 | 2016-10-21 | 公開日 | 2017-01-04 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of a PCAF Bromodomain Chemical Probe. Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
5H1H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h1h by Molmil](/molmil-images/mine/5h1h) | NMR structure of SLBA, a chimera of SFTI | 分子名称: | Bradykinin-trypsin inhibitor secondary loop chimera | 著者 | Xiao, T, Tam, J.P. | 登録日 | 2016-10-10 | 公開日 | 2017-04-19 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | An Orally Active Bradykinin B1 Receptor Antagonist Engineered as a Bifunctional Chimera of Sunflower Trypsin Inhibitor. J. Med. Chem., 60, 2017
|
|
5H1I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h1i by Molmil](/molmil-images/mine/5h1i) | NMR structure of TIBA, a chimera of SFTI | 分子名称: | Bradykinin-trypsin inhibitor secondary loop chimera | 著者 | Xiao, T, Tam, J.P. | 登録日 | 2016-10-10 | 公開日 | 2017-04-19 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | An Orally Active Bradykinin B1 Receptor Antagonist Engineered as a Bifunctional Chimera of Sunflower Trypsin Inhibitor. J. Med. Chem., 60, 2017
|
|
4DEB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4deb by Molmil](/molmil-images/mine/4deb) | Aurora A in complex with RK2-17-01 | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzamide, Aurora kinase A | 著者 | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | 登録日 | 2012-01-20 | 公開日 | 2012-08-22 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Development of o-Chlorophenyl Substituted Pyrimidines as Exceptionally Potent Aurora Kinase Inhibitors. J.Med.Chem., 55, 2012
|
|
8JWY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jwy by Molmil](/molmil-images/mine/8jwy) | Crystal structure of A2AR-T4L in complex with 2-118 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[2-oxidanylidene-1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]pyridin-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ... | 著者 | Weng, Y, Chen, Y, Xu, Y, Song, G. | 登録日 | 2023-06-29 | 公開日 | 2023-08-16 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors. Sci China Life Sci, 67, 2024
|
|
8JWZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jwz by Molmil](/molmil-images/mine/8jwz) | Crystal structure of A2AR-T4L in complex with AB928 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ... | 著者 | Weng, Y, Chen, Y, Xu, Y, Song, G. | 登録日 | 2023-06-29 | 公開日 | 2023-08-16 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors. Sci China Life Sci, 67, 2024
|
|
5WVR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wvr by Molmil](/molmil-images/mine/5wvr) | Crystal structure of Osh1 ORD domain in complex with cholesterol | 分子名称: | CHOLESTEROL, KLLA0C04147p, SULFATE ION | 著者 | Im, Y.J, Manik, M.K, Yang, H.S, Tong, J.S. | 登録日 | 2016-12-28 | 公開日 | 2017-05-10 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure of Yeast OSBP-Related Protein Osh1 Reveals Key Determinants for Lipid Transport and Protein Targeting at the Nucleus-Vacuole Junction Structure, 25, 2017
|
|
7D7K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7d7k by Molmil](/molmil-images/mine/7d7k) | The crystal structure of SARS-CoV-2 papain-like protease in apo form | 分子名称: | 1,2-ETHANEDIOL, CAFFEINE, Non-structural protein 3, ... | 著者 | Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H. | 登録日 | 2020-10-04 | 公開日 | 2021-04-21 | 最終更新日 | 2021-11-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors. Protein Cell, 12, 2021
|
|
3LE6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3le6 by Molmil](/molmil-images/mine/3le6) | The structure of cyclin dependent kinase 2 (CKD2) with a pyrazolobenzodiazepine inhibitor | 分子名称: | 5-(2-chlorophenyl)-3-methyl-7-nitropyrazolo[3,4-b][1,4]benzodiazepine, Cell division protein kinase 2 | 著者 | Lukacs, C.M, Swain, A, Crowther, R.L, Kammlott, R.U, Liu, J.J. | 登録日 | 2010-01-14 | 公開日 | 2010-11-17 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Pyrazolobenzodiazepines: part I. Synthesis and SAR of a potent class of kinase inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
|
|
6E2M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e2m by Molmil](/molmil-images/mine/6e2m) | ASK1 kinase domain complex with inhibitor | 分子名称: | Mitogen-activated protein kinase kinase kinase 5, N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide | 著者 | Lansdon, E.B. | 登録日 | 2018-07-11 | 公開日 | 2018-09-19 | 最終更新日 | 2018-10-17 | 実験手法 | X-RAY DIFFRACTION (2.253 Å) | 主引用文献 | ASK1 contributes to fibrosis and dysfunction in models of kidney disease. J. Clin. Invest., 128, 2018
|
|
6E2N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e2n by Molmil](/molmil-images/mine/6e2n) | ASK1 kinase domain complex with inhibitor | 分子名称: | Mitogen-activated protein kinase kinase kinase 5, N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide | 著者 | Lansdon, E.B. | 登録日 | 2018-07-11 | 公開日 | 2018-09-19 | 最終更新日 | 2018-10-17 | 実験手法 | X-RAY DIFFRACTION (2.098 Å) | 主引用文献 | ASK1 contributes to fibrosis and dysfunction in models of kidney disease. J. Clin. Invest., 128, 2018
|
|
6E2O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e2o by Molmil](/molmil-images/mine/6e2o) | ASK1 kinase domain complex with inhibitor | 分子名称: | 4-(4-cyclopropyl-1H-imidazol-1-yl)-N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 5 | 著者 | Lansdon, E.B. | 登録日 | 2018-07-11 | 公開日 | 2018-09-19 | 最終更新日 | 2018-10-17 | 実験手法 | X-RAY DIFFRACTION (2.389 Å) | 主引用文献 | ASK1 contributes to fibrosis and dysfunction in models of kidney disease. J. Clin. Invest., 128, 2018
|
|
5W45
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5w45 by Molmil](/molmil-images/mine/5w45) | Crystal structure of APOBEC3H | 分子名称: | APOBEC3H, ZINC ION | 著者 | Ito, F, Yang, H.J, Xiao, X, Li, S.X, Wolfe, A, Zirkle, B, Arutiunian, V, Chen, X.S. | 登録日 | 2017-06-09 | 公開日 | 2018-03-14 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.486 Å) | 主引用文献 | Understanding the Structure, Multimerization, Subcellular Localization and mC Selectivity of a Genomic Mutator and Anti-HIV Factor APOBEC3H. Sci Rep, 8, 2018
|
|