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7NY9	CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR COMPOUND 38 Descriptor: 3-[2,6-bis(oxidanylidene)-4-(trifluoromethyl)-5~{H}-pyrimidin-1-yl]-~{N}-methyl-2-pyridin-2-yl-imidazo[1,2-a]pyridine-7-carboxamide, Branched-chain-amino-acid aminotransferase, cytosolic, ... Authors: Hillig, R.C. Deposit date: 2021-03-22 Release date: 2022-11-02 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.6 Å) Cite: BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe. J.Med.Chem., 65, 2022
5LSB	Crystal structure of yeast Hsh49p in complex with Cus1p binding domain. Descriptor: Cold sensitive U2 snRNA suppressor 1, Protein HSH49 Authors: van Roon, A.M, Obayashi, E, Sposito, B, Oubridge, C, Nagai, K. Deposit date: 2016-08-24 Release date: 2017-04-12 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Crystal structure of U2 snRNP SF3b components: Hsh49p in complex with Cus1p-binding domain. RNA, 23, 2017
5LSP	107_A07 Fab in complex with fragment of the Met receptor Descriptor: 107_A07 Fab heavy chain, 107_A07 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: DiCara, D, Chirgadze, D.Y, Pope, A, Karatt-Vellatt, A, Winter, A, van den Heuvel, J, Gherardi, E, McCafferty, J. Deposit date: 2016-09-05 Release date: 2017-09-13 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (2.605 Å) Cite: Characterization and structural determination of a new anti-MET function-blocking antibody with binding epitope distinct from the ligand binding domain. Sci Rep, 7, 2017
7NXO	CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR COMPOUND 24(5-F) Descriptor: 4-[2,4-bis(oxidanylidene)-6-(phenylsulfonyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ... Authors: Hillig, R.C. Deposit date: 2021-03-19 Release date: 2022-11-02 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.71 Å) Cite: BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe. J.Med.Chem., 65, 2022
7NWB	CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND INHIBITOR COMPOUND 1 Descriptor: 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ... Authors: Hillig, R.C. Deposit date: 2021-03-16 Release date: 2022-11-02 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.64 Å) Cite: BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe. J.Med.Chem., 65, 2022
7NWM	CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND INHIBITOR COMPOUND 12 Descriptor: 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methoxy-2-(2-methylphenoxy)benzenecarbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ... Authors: Hillig, R.C. Deposit date: 2021-03-17 Release date: 2022-11-02 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.15 Å) Cite: BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe. J.Med.Chem., 65, 2022
7NWA	CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND COMPOUND A Descriptor: 2-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methylamino]-7-oxidanylidene-5-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ... Authors: Hillig, R.C. Deposit date: 2021-03-16 Release date: 2022-11-02 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.59 Å) Cite: BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe. J.Med.Chem., 65, 2022
7NYA	CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR BAY-069 (COMPOUND 36) Descriptor: 3-[4-chloranyl-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-5~{H}-pyrimidine-2,4-dione, Branched-chain-amino-acid aminotransferase, cytosolic, ... Authors: Hillig, R.C. Deposit date: 2021-03-22 Release date: 2022-11-02 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.85 Å) Cite: BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe. J.Med.Chem., 65, 2022
7NXN	CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR COMPOUND 21(5-F) Descriptor: 4-[6-[bis(fluoranyl)-phenyl-methyl]-2,4-bis(oxidanylidene)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ... Authors: Hillig, R.C. Deposit date: 2021-03-19 Release date: 2022-11-02 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.7 Å) Cite: BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe. J.Med.Chem., 65, 2022
4W63	TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A TACRINE-BENZOFURAN HYBRID INHIBITOR Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... Authors: Pesaresi, A, Samez, S, Lamba, D. Deposit date: 2014-08-20 Release date: 2015-09-09 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Novel Tacrine-Benzofuran Hybrids as Potent Multitarget-Directed Ligands for the Treatment of Alzheimer's Disease: Design, Synthesis, Biological Evaluation, and X-ray Crystallography. J.Med.Chem., 59, 2016
7NWC	CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND INHIBITOR COMPOUND 2 Descriptor: 3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione, Branched-chain-amino-acid aminotransferase, cytosolic, ... Authors: Hillig, R.C. Deposit date: 2021-03-16 Release date: 2022-11-02 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.38 Å) Cite: BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe. J.Med.Chem., 65, 2022
7NY2	CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR COMPOUND 35 Descriptor: 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ... Authors: Hillig, R.C. Deposit date: 2021-03-19 Release date: 2022-11-02 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.31 Å) Cite: BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe. J.Med.Chem., 65, 2022
6CMN	Co-Crystal Structure of HIV-1 TAR Bound to Lab-Evolved RRM TBP6.7 Descriptor: TAR-Binding Protein 6.7, Trans-Activation Response RNA Element Authors: Belashov, I.A, Wedekind, J.E. Deposit date: 2018-03-05 Release date: 2018-06-06 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.796 Å) Cite: Structure of HIV TAR in complex with a Lab-Evolved RRM provides insight into duplex RNA recognition and synthesis of a constrained peptide that impairs transcription. Nucleic Acids Res., 46, 2018
7N96	Crystal structure of D103A human Galectin-7 mutant Descriptor: GLYCEROL, Galectin-7 Authors: Pham, N.T.H, Calmettes, C, Doucet, N. Deposit date: 2021-06-16 Release date: 2023-01-25 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.38 Å) Cite: Crystal structure of D103A human Galectin-7 mutant To Be Published
7N8G	Crystal structure of R20A-R22A human Galectin-7 mutant Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... Authors: Pham, N.T.H, Calmettes, C, Doucet, N. Deposit date: 2021-06-14 Release date: 2023-01-25 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Crystal structure of R20A human Galectin-7 mutant To Be Published
5LHE	Phosphoribosyl anthranilate isomerase from Thermococcus kodakaraensis Descriptor: N-(5'-phosphoribosyl)anthranilate isomerase, SODIUM ION Authors: Perveen, S, Rashid, N, Papageorgiou, A.C. Deposit date: 2016-07-11 Release date: 2016-11-09 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Crystal structure of a phosphoribosyl anthranilate isomerase from the hyperthermophilic archaeon Thermococcus kodakaraensis. Acta Crystallogr F Struct Biol Commun, 72, 2016
4W4O	High-resolution crystal structure of Fc bound to its human receptor Fc-gamma-RI Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ... Authors: Caaveiro, J.M.M, Kiyoshi, M, Tsumoto, K. Deposit date: 2014-08-15 Release date: 2015-04-29 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structural basis for binding of human IgG1 to its high-affinity human receptor Fc gamma RI Nat Commun, 6, 2015
5LKE	Bovine beta-lactoglobulin complex with myristic acid, ambient pressure Descriptor: Beta-lactoglobulin, MYRISTIC ACID Authors: Kurpiewska, K, Lewinski, K, Garbacz, K. Deposit date: 2016-07-22 Release date: 2016-08-10 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Towards understanding the effect of high pressure on food protein allergenicity: beta-lactoglobulin structural studies. Food Chem, 270, 2019
7O2N	Crystal structure of B. subtilis UGPase YngB Descriptor: Probable UTP--glucose-1-phosphate uridylyltransferase YngB Authors: Wu, C. Deposit date: 2021-03-30 Release date: 2021-04-14 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Structural and Functional Characterisation of the Bacillus subtilis Uridylyltransferase YngB Ph.D.Thesis, 2021
6CRK	Heterotrimeric G-protein in complex with an antibody fragment Descriptor: CITRATE ANION, GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... Authors: Maeda, S, Dawson, R, Kobilka, B. Deposit date: 2018-03-19 Release date: 2018-10-24 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Development of an antibody fragment that stabilizes GPCR/G-protein complexes. Nat Commun, 9, 2018
7O74	Structure of cyanase from Pseudomonas lactis Descriptor: CHLORIDE ION, Cyanate hydratase Authors: Brag, S, Driller, J.H, Pedersen, B.P. Deposit date: 2021-04-12 Release date: 2021-04-21 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.61 Å) Cite: Structure determination and analysis of unintentionally crystallized cyanase from Pseudomonas lactis To Be Published
7OBF	Crystal structure of the human VH antibody domain HEL4 Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, HEL4, ... Authors: Belviso, B.D, Caliandro, R, Carrozzini, B. Deposit date: 2021-04-22 Release date: 2021-05-05 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (2.699 Å) Cite: Crystal structure of the human VH antibody domain HEL4 To Be Published
7O0T	Crystal structure of Chloroflexus aggregans ene-reductase CaOYE holoenzyme Descriptor: FLAVIN MONONUCLEOTIDE, MALONATE ION, NADH:flavin oxidoreductase/NADH oxidase Authors: Robescu, M.S, Niero, M, Loprete, G, Bergantino, E, Cendron, L. Deposit date: 2021-03-26 Release date: 2021-05-05 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.4 Å) Cite: A New Thermophilic Ene-Reductase from the Filamentous Anoxygenic Phototrophic Bacterium Chloroflexus aggregans . Microorganisms, 9, 2021
7OC9	Structure of Bdellovibrio bacteriovorus Bd0675 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Bd0675, GLYCEROL, ... Authors: Lovering, A.L, Valdivia-Delgado, M. Deposit date: 2021-04-26 Release date: 2021-05-05 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Target highlights in CASP14: Analysis of models by structure providers. Proteins, 89, 2021
5LOI	Crystal structure of Myceliophthora thermophila Rad26 (residues 373-841) Descriptor: Rad26 Authors: Andersen, K.R. Deposit date: 2016-08-09 Release date: 2017-03-29 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (3.153 Å) Cite: Insights into Rad3 kinase recruitment from the crystal structure of the DNA damage checkpoint protein Rad26. J. Biol. Chem., 292, 2017

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