5TQ6
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![BU of 5tq6 by Molmil](/molmil-images/mine/5tq6) | |
5DGZ
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![BU of 5dgz by Molmil](/molmil-images/mine/5dgz) | Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors | 分子名称: | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | 著者 | Murray, J.M, Wallweber, H, Steffek, M. | 登録日 | 2015-08-29 | 公開日 | 2015-10-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.502 Å) | 主引用文献 | Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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5FI4
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![BU of 5fi4 by Molmil](/molmil-images/mine/5fi4) | Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model | 分子名称: | GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... | 著者 | Elling, R.A, Knapp, M.S, Han, W, Daniel, L.M, Xy, Y, Burger, M.T, Ni, Z, Smith, A, Lan, J, Williams, T, Verhagen, J, Huh, K, Merritt, H, Chan, J, Kaufman, S, Voliva, C.F, Pecchi, S. | 登録日 | 2015-12-22 | 公開日 | 2016-02-03 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model. Bioorg.Med.Chem.Lett., 26, 2016
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6J5L
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![BU of 6j5l by Molmil](/molmil-images/mine/6j5l) | |
3OW3
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![BU of 3ow3 by Molmil](/molmil-images/mine/3ow3) | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors | 分子名称: | (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | 著者 | Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J. | 登録日 | 2010-09-17 | 公開日 | 2010-11-10 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3OW4
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![BU of 3ow4 by Molmil](/molmil-images/mine/3ow4) | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors | 分子名称: | (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, GSK 3 beta peptide, RAC-alpha serine/threonine-protein kinase | 著者 | Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J. | 登録日 | 2010-09-17 | 公開日 | 2010-11-10 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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7V2A
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![BU of 7v2a by Molmil](/molmil-images/mine/7v2a) | SARS-CoV-2 Spike trimer in complex with XG014 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, The heavy chain of XG014, ... | 著者 | Wang, K, Wang, X, Pan, L. | 登録日 | 2021-08-07 | 公開日 | 2021-10-20 | 最終更新日 | 2022-07-06 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope. Protein Cell, 13, 2022
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8U27
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![BU of 8u27 by Molmil](/molmil-images/mine/8u27) | Bcl-2-xL complexed with compound 35 | 分子名称: | Apoptosis regulator Bcl-2, Bcl-2-like protein 1 chimera, propan-2-yl {4-[(5S)-1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate | 著者 | Rizo, J, Pan, Y.-Z. | 登録日 | 2023-09-05 | 公開日 | 2023-09-13 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural insights for selective disruption of Beclin 1 binding to Bcl-2. Commun Biol, 6, 2023
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4G2V
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![BU of 4g2v by Molmil](/molmil-images/mine/4g2v) | Structure complex of LGN binding with FRMPD1 | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, G-protein-signaling modulator 2, ... | 著者 | Shang, Y, Pan, Z, Wen, W, Wang, W, Zhang, M. | 登録日 | 2012-07-13 | 公開日 | 2013-01-23 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural and biochemical characterization of the interaction between LGN and Frmpd1 J.Mol.Biol., 425, 2013
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6VRV
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![BU of 6vrv by Molmil](/molmil-images/mine/6vrv) | Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model | 分子名称: | 4-chloro-1-{(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide, GLYCEROL, Serine/threonine-protein kinase pim-1 | 著者 | Barberis, C.E, Batchelor, J.D, Liu, J. | 登録日 | 2020-02-10 | 公開日 | 2020-11-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model. Bioorg.Med.Chem.Lett., 30, 2020
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8AZZ
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![BU of 8azz by Molmil](/molmil-images/mine/8azz) | KRAS-G12V in complex with BI-2865 | 分子名称: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | 著者 | Boettcher, J, Herdeis, L. | 登録日 | 2022-09-06 | 公開日 | 2023-06-21 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | 主引用文献 | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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4BGH
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![BU of 4bgh by Molmil](/molmil-images/mine/4bgh) | Crystal Structure of CDK2 in complex with pan-CDK Inhibitor | 分子名称: | 4-((5-BROMO-4-(PROP-2-YN-1-YLAMINO)PYRIMIDIN-2-YL)AMINO)BENZENESULFONAMIDE, CYCLIN-DEPENDENT KINASE 2 | 著者 | Luecking, U, Jautelat, R, Krueger, M, Brumby, T, Lienau, P, Schaefer, M, Briem, H, Schulze, J, Hillisch, A, Reichel, A, Siemeister, G. | 登録日 | 2013-03-26 | 公開日 | 2013-09-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | The Lab Oddity Prevails: Discovery of Pan-Cdk Inhibitor (R)- S-Cyclopropyl-S-(4-{[4-{[(1R,2R)-2-Hydroxy-1-Methylpropyl]Oxy}-5-(Trifluoromethyl)Pyrimidin-2-Yl]Amino}Phenyl)Sulfoximide (Bay 1000394) for the Treatment of Cancer. Chemmedchem, 8, 2013
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8AZV
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![BU of 8azv by Molmil](/molmil-images/mine/8azv) | KRAS in complex with BI-2865 | 分子名称: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | 著者 | Boettcher, J, Herdeis, L. | 登録日 | 2022-09-06 | 公開日 | 2023-06-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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8AZR
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![BU of 8azr by Molmil](/molmil-images/mine/8azr) | KRAS in complex with precursor 1 | 分子名称: | (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | 著者 | Boettcher, J, Herdeis, L. | 登録日 | 2022-09-06 | 公開日 | 2023-06-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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8B00
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![BU of 8b00 by Molmil](/molmil-images/mine/8b00) | KRAS-G13D in complex with BI-2865 | 分子名称: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | 著者 | Boettcher, J, Herdeis, L. | 登録日 | 2022-09-06 | 公開日 | 2023-06-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | 主引用文献 | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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8AZY
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![BU of 8azy by Molmil](/molmil-images/mine/8azy) | KRAS-G12D in complex with BI-2865 | 分子名称: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | 著者 | Boettcher, J, Herdeis, L. | 登録日 | 2022-09-06 | 公開日 | 2023-06-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | 主引用文献 | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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8AZX
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![BU of 8azx by Molmil](/molmil-images/mine/8azx) | KRAS-G12C in complex with BI-2865 | 分子名称: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | 著者 | Boettcher, J, Herdeis, L. | 登録日 | 2022-09-06 | 公開日 | 2023-06-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | 主引用文献 | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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2KBQ
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![BU of 2kbq by Molmil](/molmil-images/mine/2kbq) | |
8U6X
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![BU of 8u6x by Molmil](/molmil-images/mine/8u6x) | ATP-dependent DNA ligase Lig E from Neisseria gonorrhoeae | 分子名称: | ADENOSINE MONOPHOSPHATE, DNA (5'-D(*AP*TP*TP*GP*CP*GP*AP*CP*CP*CP*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*A)-3'), DNA (5'-D(*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3'), ... | 著者 | Williamson, A, Pan, J. | 登録日 | 2023-09-14 | 公開日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | A role for the ATP-dependent DNA ligase lig E of Neisseria gonorrhoeae in biofilm formation. Bmc Microbiol., 24, 2024
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6NHW
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![BU of 6nhw by Molmil](/molmil-images/mine/6nhw) | Structure of the transmembrane domain of the Death Receptor 5 - Dimer of Trimer | 分子名称: | Tumor necrosis factor receptor superfamily member 10B | 著者 | Chou, J.J, Pan, L, Fu, Q, Zhao, L, Chen, W, Piai, A, Fu, T, Wu, H. | 登録日 | 2018-12-24 | 公開日 | 2019-02-27 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Higher-Order Clustering of the Transmembrane Anchor of DR5 Drives Signaling. Cell, 176, 2019
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6NHY
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![BU of 6nhy by Molmil](/molmil-images/mine/6nhy) | Structure of the transmembrane domain of the Death Receptor 5 mutant (G217Y) - Trimer Only | 分子名称: | Tumor necrosis factor receptor superfamily member 10B | 著者 | Chou, J.J, Pan, L, Zhao, L, Chen, W, Piai, A, Fu, T, Wu, H, Liu, Z. | 登録日 | 2018-12-24 | 公開日 | 2019-02-27 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Higher-Order Clustering of the Transmembrane Anchor of DR5 Drives Signaling. Cell, 176, 2019
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3SHU
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![BU of 3shu by Molmil](/molmil-images/mine/3shu) | Crystal structure of ZO-1 PDZ3 | 分子名称: | Tight junction protein ZO-1 | 著者 | Yu, J, Pan, L, Chen, J, Yu, H, Zhang, M. | 登録日 | 2011-06-17 | 公開日 | 2011-09-28 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | The Structure of the PDZ3-SH3-GuK Tandem of ZO-1 Suggests a Supramodular Organization of the Conserved MAGUK Family Scaffold Core To be Published
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3SHW
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![BU of 3shw by Molmil](/molmil-images/mine/3shw) | Crystal structure of ZO-1 PDZ3-SH3-Guk supramodule complex with Connexin-45 peptide | 分子名称: | Gap junction gamma-1 protein, Tight junction protein ZO-1 | 著者 | Yu, J, Pan, L, Chen, J, Yu, H, Zhang, M. | 登録日 | 2011-06-17 | 公開日 | 2011-09-28 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | The Structure of the PDZ3-SH3-GuK Tandem of ZO-1 Suggests a Supramodular Organization of the Conserved MAGUK Family Scaffold Core To be Published
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8WBD
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![BU of 8wbd by Molmil](/molmil-images/mine/8wbd) | |
8WBC
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![BU of 8wbc by Molmil](/molmil-images/mine/8wbc) | |