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3RVI
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BU of 3rvi by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 2-((2-Amino-6-o-tolylquinolin-3-yl)methyl)-N-(cyclohexylmethyl)pentanamide
Descriptor: (2R)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-N-(cyclohexylmethyl)pentanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2011-05-06
Release date:2011-08-31
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3C5Z
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BU of 3c5z by Molmil
Crystal structure of mouse MHC class II I-Ab/3K peptide complexed with mouse TCR B3K506
Descriptor: 3K peptide, Linker, and H-2 class II histocompatibility antigen (A beta chain), ...
Authors:Dai, S, Kappler, J.
Deposit date:2008-02-01
Release date:2008-04-29
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crossreactive T Cells spotlight the germline rules for alphabeta T cell-receptor interactions with MHC molecules.
Immunity, 28, 2008
3C60
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BU of 3c60 by Molmil
Crystal structure of mouse MHC class II I-Ab/3K peptide complexed with mouse TCR YAe62
Descriptor: 3K peptide, Linker, and H-2 class II histocompatibility antigen (A beta chain), ...
Authors:Dai, S.
Deposit date:2008-02-01
Release date:2008-04-29
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Crossreactive T Cells spotlight the germline rules for alphabeta T cell-receptor interactions with MHC molecules.
Immunity, 28, 2008
3C6L
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BU of 3c6l by Molmil
Crystal structure of mouse MHC class II I-Ab/3K peptide complexed with mouse TCR 2W20
Descriptor: 3K peptide, Linker,and H-2 class II histocompatibility antigen (A beta chain), CALCIUM ION, ...
Authors:Dai, S.
Deposit date:2008-02-04
Release date:2008-04-29
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crossreactive T Cells spotlight the germline rules for alphabeta T cell-receptor interactions with MHC molecules.
Immunity, 28, 2008
5QTZ
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BU of 5qtz by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 6-[1-(2,2-DIFLUOROETHYL)-4-(6-METHYLPYRIDIN-2-YL)-1H-IMIDAZOL-5-YL]IMIDAZO[1,2-A]PYRIDINE
Descriptor: 6-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1H-imidazol-5-yl]imidazo[1,2-a]pyridine, GLYCEROL, TGF-beta receptor type-1
Authors:Sheriff, S.
Deposit date:2019-11-19
Release date:2020-02-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of BMS-986260, a Potent, Selective, and Orally Bioavailable TGF beta R1 Inhibitor as an Immuno-oncology Agent.
Acs Med.Chem.Lett., 11, 2020
5QU0
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BU of 5qu0 by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 6-[4-(3-CHLORO-4-FLUOROPHENYL)-1-(2-HYDROXYETHYL)-1H-IMIDAZOL-5-YL]IMIDAZO[1,2-B]PYRIDAZINE-3-CARBONITRILE
Descriptor: 6-[4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carbonitrile, GLYCEROL, TGF-beta receptor type-1
Authors:Sheriff, S.
Deposit date:2019-11-19
Release date:2020-02-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Discovery of BMS-986260, a Potent, Selective, and Orally Bioavailable TGF beta R1 Inhibitor as an Immuno-oncology Agent.
Acs Med.Chem.Lett., 11, 2020
5TC0
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BU of 5tc0 by Molmil
Structure-based optimization of 1H-imidazole-2-carboxamides as Axl kinase inhibitors utilizing a Mer mutant surrogate
Descriptor: N-(2-{4-[(2S)-4-(methylsulfonyl)morpholin-2-yl]-1,3-thiazol-2-yl}phenyl)-1H-imidazole-2-carboxamide, Tyrosine-protein kinase Mer
Authors:Hoffman, I.D, Lawson, J.D.
Deposit date:2016-09-13
Release date:2017-01-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structure-based optimization of 1H-imidazole-2-carboxamides as Axl kinase inhibitors utilizing a Mer mutant surrogate.
Bioorg. Med. Chem. Lett., 27, 2017
5TD2
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BU of 5td2 by Molmil
Structure-based optimization of 1H-imidazole-2-carboxamides as Axl kinase inhibitors utilizing a Mer mutant surrogate
Descriptor: N-[2-{4-[(2S)-4-(methylsulfonyl)morpholin-2-yl]-1,3-thiazol-2-yl}-4-(morpholin-4-yl)phenyl]-1H-imidazole-2-carboxamide, Tyrosine-protein kinase Mer
Authors:Hoffman, I.D, Lawson, J.D.
Deposit date:2016-09-16
Release date:2017-01-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structure-based optimization of 1H-imidazole-2-carboxamides as Axl kinase inhibitors utilizing a Mer mutant surrogate.
Bioorg. Med. Chem. Lett., 27, 2017
5TR4
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BU of 5tr4 by Molmil
Structure of Ubiquitin activating enzyme (Uba1) in complex with ubiquitin and TAK-243
Descriptor: Ubiquitin, Ubiquitin-activating enzyme E1 1, [(1~{R},2~{R},3~{S},4~{R})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate
Authors:Sintchak, M.D.
Deposit date:2016-10-25
Release date:2017-11-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification and Characterization of a Small Molecule Inhibitor of the Ubiquitin Activating Enzyme (TAK-243)
To be published
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