4EHE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ehe by Molmil](/molmil-images/mine/4ehe) | B-Raf Kinase Domain in Complex with an Aminothienopyrimidine-based Inhibitor | 分子名称: | 4-amino-N-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide, Serine/threonine-protein kinase B-raf | 著者 | Voegtli, W.C. | 登録日 | 2012-04-02 | 公開日 | 2013-04-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Potent and selective aminopyrimidine-based B-raf inhibitors with favorable physicochemical and pharmacokinetic properties. J.Med.Chem., 55, 2012
|
|
5K4I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5k4i by Molmil](/molmil-images/mine/5k4i) | Crystal Structure of ERK2 in complex with compound 22 | 分子名称: | 1,2-ETHANEDIOL, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1 | 著者 | Yin, J, Wang, W. | 登録日 | 2016-05-20 | 公開日 | 2016-07-06 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development. J.Med.Chem., 59, 2016
|
|
5K4J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5k4j by Molmil](/molmil-images/mine/5k4j) | Crystal Structure of CDK2 in complex with compound 22 | 分子名称: | 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Cyclin-dependent kinase 2 | 著者 | Yin, J, Wang, W. | 登録日 | 2016-05-20 | 公開日 | 2016-07-06 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development. J.Med.Chem., 59, 2016
|
|
6UUM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uum by Molmil](/molmil-images/mine/6uum) | |
6UUL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uul by Molmil](/molmil-images/mine/6uul) | Crystal structure of broad and potent HIV-1 neutralizing antibody 438-D5 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, D5 Fab Heavy Chain, ... | 著者 | Kumar, S, Wilson, I.A. | 登録日 | 2019-10-30 | 公開日 | 2020-09-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | A V H 1-69 antibody lineage from an infected Chinese donor potently neutralizes HIV-1 by targeting the V3 glycan supersite. Sci Adv, 6, 2020
|
|
6UTK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6utk by Molmil](/molmil-images/mine/6utk) | |
6UUH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uuh by Molmil](/molmil-images/mine/6uuh) | |
6V6W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6v6w by Molmil](/molmil-images/mine/6v6w) | |
6U3Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u3q by Molmil](/molmil-images/mine/6u3q) | The atomic structure of a human adeno-associated virus capsid isolate (AAVhu69/AAVv66) | 分子名称: | Capsid protein VP1 | 著者 | Hsu, H.-L, Brown, A, Loveland, A, Tai, P, Korostelev, A, Gao, G. | 登録日 | 2019-08-22 | 公開日 | 2020-05-27 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (2.46 Å) | 主引用文献 | Structural characterization of a novel human adeno-associated virus capsid with neurotropic properties. Nat Commun, 11, 2020
|
|
6TLF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tlf by Molmil](/molmil-images/mine/6tlf) | |
6TM7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tm7 by Molmil](/molmil-images/mine/6tm7) | |
7RFR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rfr by Molmil](/molmil-images/mine/7rfr) | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | 分子名称: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | 著者 | Gajiwala, K.S, Ferre, R.A, Liu, W, Stewart, A.E. | 登録日 | 2021-07-14 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.626 Å) | 主引用文献 | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19. Science, 374, 2021
|
|
7RFU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rfu by Molmil](/molmil-images/mine/7rfu) | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | 分子名称: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(methanesulfonyl)-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | 著者 | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | 登録日 | 2021-07-14 | 公開日 | 2021-11-10 | 最終更新日 | 2022-01-05 | 実験手法 | X-RAY DIFFRACTION (2.498 Å) | 主引用文献 | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19. Science, 374, 2021
|
|
7RFW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rfw by Molmil](/molmil-images/mine/7rfw) | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | 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 | 著者 | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | 登録日 | 2021-07-14 | 公開日 | 2021-11-10 | 最終更新日 | 2022-01-05 | 実験手法 | X-RAY DIFFRACTION (1.729 Å) | 主引用文献 | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19. Science, 374, 2021
|
|
7RFS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rfs by Molmil](/molmil-images/mine/7rfs) | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | 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 | 著者 | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | 登録日 | 2021-07-14 | 公開日 | 2021-11-10 | 最終更新日 | 2022-01-05 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19. Science, 374, 2021
|
|
5HOG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hog by Molmil](/molmil-images/mine/5hog) | |
3TV6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tv6 by Molmil](/molmil-images/mine/3tv6) | Human B-Raf Kinase Domain in Complex with a Methoxypyrazolopyridinyl Benzamide Inhibitor | 分子名称: | 2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[(propylsulfonyl)amino]benzamide, Serine/threonine-protein kinase B-raf | 著者 | Voegtli, W.C, Sturgis, H.L, Wu, W.-I. | 登録日 | 2011-09-19 | 公開日 | 2011-10-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Pyrazolopyridine Inhibitors of B-Raf(V600E). Part 1: The Development of Selective, Orally Bioavailable, and Efficacious Inhibitors. ACS Med Chem Lett, 2, 2011
|
|
5HVY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hvy by Molmil](/molmil-images/mine/5hvy) | CDK8/CYCC IN COMPLEX WITH COMPOUND 20 | 分子名称: | CHLORIDE ION, Cyclin-C, Cyclin-dependent kinase 8, ... | 著者 | Kiefer, J.R, Schneider, E.V, Maskos, K, Bergeron, P, Koehler, M. | 登録日 | 2016-01-28 | 公開日 | 2016-04-20 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Design and Development of a Series of Potent and Selective Type II Inhibitors of CDK8. Acs Med.Chem.Lett., 7, 2016
|
|
3TV4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tv4 by Molmil](/molmil-images/mine/3tv4) | Human B-Raf Kinase Domain in Complex with an Bromopyridine Benzamide Inhibitor | 分子名称: | N-(6-amino-5-bromopyridin-3-yl)-2,6-difluoro-3-[(propylsulfonyl)amino]benzamide, Serine/threonine-protein kinase B-raf | 著者 | Voegtli, W.C, Selby, L.T, Wu, W.-I. | 登録日 | 2011-09-19 | 公開日 | 2011-10-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Pyrazolopyridine Inhibitors of B-Raf(V600E). Part 1: The Development of Selective, Orally Bioavailable, and Efficacious Inhibitors. ACS Med Chem Lett, 2, 2011
|
|
5CD3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cd3 by Molmil](/molmil-images/mine/5cd3) | |
5CD5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cd5 by Molmil](/molmil-images/mine/5cd5) | |
7W3Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7w3z by Molmil](/molmil-images/mine/7w3z) | Cryo-EM Structure of Human Gastrin Releasing Peptide Receptor in complex with the agonist Gastrin Releasing Peptide and Gq heterotrimers | 分子名称: | Gastrin Releasing Peptide PRGNHWAVGHLM(NH2), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Zhan, Y, Peng, S, Zhang, H. | 登録日 | 2021-11-26 | 公開日 | 2023-02-22 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Structures of human gastrin-releasing peptide receptors bound to antagonist and agonist for cancer and itch therapy. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
7W40
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7w40 by Molmil](/molmil-images/mine/7w40) | Cryo-EM Structure of Human Gastrin Releasing Peptide Receptor in complex with the agonist Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] and Gq heterotrimers | 分子名称: | Bombesin, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Zhan, Y, Peng, S, Zhang, H. | 登録日 | 2021-11-26 | 公開日 | 2023-02-22 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Structures of human gastrin-releasing peptide receptors bound to antagonist and agonist for cancer and itch therapy. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
7W41
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7w41 by Molmil](/molmil-images/mine/7w41) | |
3TCJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tcj by Molmil](/molmil-images/mine/3tcj) | |