6O2Z
 
 | | Crystal structure of IDH1 R132H mutant in complex with compound 32 | | Descriptor: | 6-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methylpyridine-3-carbonitrile, GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | | Authors: | Toms, A.V, Lin, J. | | Deposit date: | 2019-02-25 | | Release date: | 2019-06-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery and Optimization of Quinolinone Derivatives as Potent, Selective, and Orally Bioavailable Mutant Isocitrate Dehydrogenase 1 (mIDH1) Inhibitors.
J.Med.Chem., 62, 2019
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6NPM
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6NIS
 | | Crystal structure of a human anti-ZIKV-DENV neutralizing antibody MZ24 isolated following ZPIV vaccination | | Descriptor: | CHLORIDE ION, GLYCEROL, MZ24 antibody heavy chain, ... | | Authors: | Sankhala, R.S, Dussupt, V, Donofrio, G, Choe, M, Modjarrad, K, Michael, N.L, Krebs, S.J, Joyce, M.G. | | Deposit date: | 2018-12-31 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.113 Å) | | Cite: | Potent Zika and dengue cross-neutralizing antibodies induced by Zika vaccination in a dengue-experienced donor.
Nat Med, 26, 2020
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6NJI
 | | Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with T-49 | | Descriptor: | 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol, MAGNESIUM ION, ZINC ION, ... | | Authors: | Fox III, D, Fairman, J.W, Gurney, M.E. | | Deposit date: | 2019-01-03 | | Release date: | 2019-05-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders.
J.Med.Chem., 62, 2019
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3AVK
 | | Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site | | Descriptor: | ACETIC ACID, CHLORIDE ION, Integrase, ... | | Authors: | Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I. | | Deposit date: | 2011-03-05 | | Release date: | 2012-01-18 | | Last modified: | 2013-06-19 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structures of novel allosteric peptide inhibitors of HIV integrase identify new interactions at the LEDGF binding site.
Chembiochem, 12, 2011
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1OPF
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3AVM
 | | Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site | | Descriptor: | ACETIC ACID, CHLORIDE ION, Integrase, ... | | Authors: | Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I. | | Deposit date: | 2011-03-05 | | Release date: | 2012-01-18 | | Last modified: | 2013-06-19 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal structures of novel allosteric peptide inhibitors of HIV integrase identify new interactions at the LEDGF binding site.
Chembiochem, 12, 2011
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6NIE
 | | BesD with Fe(II), chloride, and alpha-ketoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, BesD, lysine halogenase, ... | | Authors: | Neugebauer, M.E, Chang, M.C.Y. | | Deposit date: | 2018-12-27 | | Release date: | 2019-10-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A family of radical halogenases for the engineering of amino-acid-based products.
Nat.Chem.Biol., 15, 2019
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3AVG
 | | Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site | | Descriptor: | ACETIC ACID, CHLORIDE ION, Integrase, ... | | Authors: | Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I. | | Deposit date: | 2011-03-05 | | Release date: | 2012-01-18 | | Last modified: | 2013-06-19 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of novel allosteric peptide inhibitors of HIV integrase identify new interactions at the LEDGF binding site.
Chembiochem, 12, 2011
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6NPI
 | | Crystal structure of Epstein-Barr Virus Nuclear Antigen-1, EBNA1, bound to fragments | | Descriptor: | ({2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)acetic acid, 2-pyrrol-1-ylbenzoic acid, Epstein-Barr nuclear antigen 1 | | Authors: | Messick, T.E. | | Deposit date: | 2019-01-17 | | Release date: | 2019-03-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | Structure-based design of small-molecule inhibitors of EBNA1 DNA binding blocks Epstein-Barr virus latent infection and tumor growth.
Sci Transl Med, 11, 2019
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5FAP
 | | CTX-M-15 in complex with FPI-1602 | | Descriptor: | Beta-lactamase, [[(3~{R},6~{S})-6-[(azetidin-3-ylcarbonylamino)carbamoyl]-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate | | Authors: | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | | Deposit date: | 2015-12-11 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
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6O1O
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2YPR
 | | Crystal structure of the DNA binding ETS domain of human protein FEV | | Descriptor: | GLYCEROL, PROTEIN FEV | | Authors: | Allerston, C.K, Cooper, C, Vollmar, M, Krojer, T, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Gileadi, O. | | Deposit date: | 2012-10-31 | | Release date: | 2013-01-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structures of the Ets Domains of Transcription Factors Etv1, Etv4, Etv5 and Fev: Determinants of DNA Binding and Redox Regulation by Disulfide Bond Formation.
J.Biol.Chem., 290, 2015
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6NYB
 | | Structure of a MAPK pathway complex | | Descriptor: | 14-3-3 protein zeta, 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Park, E, Rawson, S, Li, K, Jeon, H, Eck, M.J. | | Deposit date: | 2019-02-11 | | Release date: | 2019-10-09 | | Last modified: | 2020-04-22 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes.
Nature, 575, 2019
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3BJX
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3BJE
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3BJI
 | | Structural Basis of Promiscuous Guanine Nucleotide Exchange by the T-Cell Essential Vav1 | | Descriptor: | Proto-oncogene vav, Ras-related C3 botulinum toxin substrate 1 precursor, ZINC ION | | Authors: | Chrencik, J.E, Brooun, A, Kuhn, P, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D) | | Deposit date: | 2007-12-04 | | Release date: | 2008-07-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis of guanine nucleotide exchange mediated by the T-cell essential Vav1.
J.Mol.Biol., 380, 2008
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6O1F
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6O2Y
 | | Crystal structure of IDH1 R132H mutant in complex with compound 24 | | Descriptor: | 4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile, BETA-MERCAPTOETHANOL, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | | Authors: | Toms, A.V, Lin, J. | | Deposit date: | 2019-02-25 | | Release date: | 2019-06-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery and Optimization of Quinolinone Derivatives as Potent, Selective, and Orally Bioavailable Mutant Isocitrate Dehydrogenase 1 (mIDH1) Inhibitors.
J.Med.Chem., 62, 2019
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6OCQ
 | | Crystal structure of RIP1 kinase in complex with a pyrrolidine | | Descriptor: | 1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one, Receptor-interacting serine/threonine-protein kinase 1, SULFATE ION | | Authors: | Thorpe, J.H, Harris, P.A. | | Deposit date: | 2019-03-25 | | Release date: | 2019-05-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.793 Å) | | Cite: | Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase.
J.Med.Chem., 62, 2019
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5FP9
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5FPA
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6OAA
 | | Cdc48-Npl4 complex processing poly-ubiquitinated substrate in the presence of ADP-BeFx, state 1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cell division control protein 48, ... | | Authors: | Twomey, E.C, Ji, Z, Wales, T.E, Bodnar, N.O, Engen, J.R, Rapoport, T.A. | | Deposit date: | 2019-03-15 | | Release date: | 2019-07-03 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Substrate processing by the Cdc48 ATPase complex is initiated by ubiquitin unfolding.
Science, 365, 2019
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6OGM
 | | Crystal structure of apo unFused 4-OT | | Descriptor: | 4-oxalocrotonate tautomerase, GLYCEROL | | Authors: | Medellin, B.P, Whitman, C.P, Zhang, Y.J. | | Deposit date: | 2019-04-03 | | Release date: | 2020-02-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.865 Å) | | Cite: | Structural, Kinetic, and Mechanistic Analysis of an Asymmetric 4-Oxalocrotonate Tautomerase Trimer.
Biochemistry, 58, 2019
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6OL0
 | | Structure of VcINDY bound to Malate | | Descriptor: | (2S)-2-hydroxybutanedioic acid, SODIUM ION, Transporter, ... | | Authors: | Sauer, D.B, Marden, J.J, Wang, D.N. | | Deposit date: | 2019-04-15 | | Release date: | 2020-10-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.502 Å) | | Cite: | Elevator mechanism dynamics in a sodium-coupled dicarboxylate transporter
Biorxiv, 2022
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