5VYK
 
 | | Crystal structure of the BRS domain of BRAF in complex with the CC-SAM domain of KSR1 | | Descriptor: | Chimera protein of BRS domain of BRAF and CC-SAM domain of KSR1,Serine/threonine-protein kinase B-raf, GLYCEROL | | Authors: | Maisonneuve, P, Kurinov, I, Marullo, S.A, Lavoie, H, Thevakumaran, N, Sahmi, M, Jin, T, Therrien, M, SIcheri, F. | | Deposit date: | 2017-05-25 | | Release date: | 2018-02-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.749 Å) | | Cite: | MEK drives BRAF activation through allosteric control of KSR proteins.
Nature, 554, 2018
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5VYP
 | | Crystal structure of the Plant Defensin NsD7 bound to PIP2 | | Descriptor: | Defensin NsD7, GLYCEROL, SULFATE ION, ... | | Authors: | Jarva, M, Lay, F.T, Hulett, M, Kvansakul, M. | | Deposit date: | 2017-05-25 | | Release date: | 2017-08-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of the defensin NsD7 in complex with PIP2 reveals that defensin : lipid oligomer topologies are dependent on lipid type.
FEBS Lett., 591, 2017
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5VCT
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5VCV
 | | CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH Dasatinib | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ... | | Authors: | Zhu, J.-Y, Martin, M.P, Schonbrunn, E. | | Deposit date: | 2017-04-01 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
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7Q99
 | | MHC Class I A02 Allele presenting NLSALGIFST, in complex with Mel5 TCR | | Descriptor: | 1,2-ETHANEDIOL, ASN-LEU-SER-ALA-LEU-GLY-ILE-PHE-SER-THR, Beta-2-microglobulin, ... | | Authors: | Rizkallah, P.J, Sewell, A.K, Wall, A, Fuller, A. | | Deposit date: | 2021-11-12 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Targeting of multiple tumor-associated antigens by individual T cell receptors during successful cancer immunotherapy.
Cell, 186, 2023
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7Q98
 | | MHC Class I A02 Allele presenting NLSALGIFST | | Descriptor: | 1,2-ETHANEDIOL, ASN-LEU-SER-ALA-LEU-GLY-ILE-PHE-SER-THR, Beta-2-microglobulin, ... | | Authors: | Rizkallah, P.J, Sewell, A.K. | | Deposit date: | 2021-11-12 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Targeting of multiple tumor-associated antigens by individual T cell receptors during successful cancer immunotherapy.
Cell, 186, 2023
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5VD4
 | | CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH RAC-IV-016, a MK1775 analougue | | Descriptor: | 1,2-ETHANEDIOL, 6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1-{6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-2-yl}-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, CHLORIDE ION, ... | | Authors: | Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2017-04-01 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structural basis of Wee family kinase inhibition by small molecules
to be published
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5VDK
 | | Crystal structure of human WEE2 kinase domain in complex with MK1775 | | Descriptor: | 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, PHOSPHATE ION, Wee1-like protein kinase 2 | | Authors: | Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2017-04-03 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
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7Q9A
 | | MHC Class I A02 Allele presenting LLLGIGILVL, in complex with Mel5 TCR | | Descriptor: | Beta-2-microglobulin, GLYCEROL, Human Mel5 T Cell Receptor, ... | | Authors: | Rizkallah, P.J, Sewell, A.K, Wall, A, Fuller, A. | | Deposit date: | 2021-11-12 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Targeting of multiple tumor-associated antigens by individual T cell receptors during successful cancer immunotherapy.
Cell, 186, 2023
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4V8L
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5VM1
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5VOB
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5VPD
 | | Transcription factor FosB/JunD bZIP domain in its oxidized form, type-III crystal | | Descriptor: | CHLORIDE ION, Protein fosB, SODIUM ION, ... | | Authors: | Yin, Z, Machius, M, Rudenko, G. | | Deposit date: | 2017-05-04 | | Release date: | 2017-09-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Activator Protein-1: redox switch controlling structure and DNA-binding.
Nucleic Acids Res., 45, 2017
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4O7M
 | | Crystal structure of a trap periplasmic solute binding protein from shewanella loihica PV-4, target EFI-510273, with bound L-malate | | Descriptor: | (2S)-2-hydroxybutanedioic acid, SULFATE ION, TRAP dicarboxylate transporter, ... | | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-12-25 | | Release date: | 2014-03-05 | | Last modified: | 2015-02-25 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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5VD2
 | | crystal structure of human WEE1 kinase domain in complex with PF-03814735 | | Descriptor: | CHLORIDE ION, N-{2-[(1S,4R)-6-{[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl]-2-oxoethyl}acetamide, PHOSPHATE ION, ... | | Authors: | Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2017-04-01 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
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5VQX
 | | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with 2-chloro-N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-N-methylacetamide (JLJ686), a Non-nucleoside Inhibitor | | Descriptor: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylacetamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | | Authors: | Chan, A.H, Anderson, K.S. | | Deposit date: | 2017-05-09 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5VRJ
 | | 2009 H1N1 PA Endonuclease in complex with RO-7 and Magnesium | | Descriptor: | 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione, MAGNESIUM ION, Polymerase acidic protein, ... | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2017-05-10 | | Release date: | 2018-04-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors.
MBio, 9, 2018
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5VSF
 | | Structure of human GLP SET-domain (EHMT1) in complex with inhibitor 17 | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, GLYCEROL, Histone-lysine N-methyltransferase EHMT1, ... | | Authors: | Babault, N, Xiong, Y, Liu, J, Jin, J. | | Deposit date: | 2017-05-11 | | Release date: | 2017-07-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017
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5VWM
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5VXD
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2Y46
 | | Structure of the mixed-function P450 MycG in complex with mycinamicin IV in C 2 2 21 space group | | Descriptor: | BENZAMIDINE, GLYCEROL, MYCINAMICIN IV, ... | | Authors: | Li, S, Kells, P.M, Sherman, D.H, Podust, L.M. | | Deposit date: | 2011-01-05 | | Release date: | 2012-01-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
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2Y5N
 | | Structure of the mixed-function P450 MycG in complex with mycinamicin V in P21 space group | | Descriptor: | GLYCEROL, MAGNESIUM ION, MYCINAMICIN V, ... | | Authors: | Li, S, Kells, P.M, Sherman, D.H, Podust, L.M. | | Deposit date: | 2011-01-15 | | Release date: | 2012-02-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
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7QPB
 | | Catalytic C-lobe of the HECT-type ubiquitin ligase E6AP in complex with a hybrid foldamer-peptide macrocycle | | Descriptor: | Isoform I of Ubiquitin-protein ligase E3A, hybrid foldamer-peptide macrocycle | | Authors: | Dengler, S, Howard, R.T, Morozov, V, Tsiamantas, C, Douat, C, Suga, H, Huc, I. | | Deposit date: | 2022-01-03 | | Release date: | 2023-09-27 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.342 Å) | | Cite: | Display Selection of a Hybrid Foldamer-Peptide Macrocycle.
Angew.Chem.Int.Ed.Engl., 62, 2023
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5VK4
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5VKL
 | | SPT6 tSH2-RPB1 1476-1500 pS1493 | | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, Transcription elongation factor SPT6 | | Authors: | Sdano, M.A, Whitby, F.G, Hill, C.P. | | Deposit date: | 2017-04-21 | | Release date: | 2017-10-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.198 Å) | | Cite: | A novel SH2 recognition mechanism recruits Spt6 to the doubly phosphorylated RNA polymerase II linker at sites of transcription.
Elife, 6, 2017
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