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5AHI	Crystal structure of salmonalla enterica HisA mutant D7N with ProFAR Descriptor: 1-(5-PHOSPHORIBOSYL)-5-[(5-PHOSPHORIBOSYLAMINO) METHYLIDENE AMINO] IMIDAZOLE-4-CARBOXAMIDE ISOMERASE, CHLORIDE ION, GLYCEROL, ... Authors: Soderholm, A, Guo, X, Newton, M.S, Evans, G.B, Nasvall, J, Patrick, W.M, Selmer, M. Deposit date: 2015-02-06 Release date: 2016-03-02 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.999 Å) Cite: Structure and Mechanism of Hisa from Salmonella Enterica To be Published
6PM7	The structure of the triclinic crystal form of beef liver catalase at 1.85 A resolution Descriptor: Catalase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE Authors: McPherson, A. Deposit date: 2019-07-01 Release date: 2020-05-20 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.85 Å) Cite: The structure of the triclinic crystal form of beef liver catalase at 1.85 A resolution to be published
6B15	Crystal structure of CBMbc (family CBM26) from Eubacterium rectale Amy13K Descriptor: 1,2-ETHANEDIOL, Amy13K Authors: Cockburn, D.W, Wawrzak, Z, Perez Medina, K, Koropatkin, N.M. Deposit date: 2017-09-16 Release date: 2017-11-29 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Novel carbohydrate binding modules in the surface anchored alpha-amylase of Eubacterium rectale provide a molecular rationale for the range of starches used by this organism in the human gut. Mol. Microbiol., 107, 2018
7TQR	Crystal Structure of histidine ammonia lyase from Thermoplasma acidophilum Descriptor: Probable histidine ammonia-lyase Authors: Wu, K, Dulchavsky, M, Bardwell, J.C.A. Deposit date: 2022-01-26 Release date: 2022-04-06 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Microreactor equipped with naturally acid-resistant histidine ammonia lyase from an extremophile. Mater Adv, 3, 2022
6N0M	CRYSTAL STRUCTURE OF SESTRIN2 IN COMPLEX WITH NV-0005138 Descriptor: 4-(difluoromethyl)-L-leucine, Sestrin-2 Authors: O'Neill, D. Deposit date: 2018-11-07 Release date: 2019-04-10 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (3.3 Å) Cite: Discovery of NV-5138, the first selective Brain mTORC1 activator. Sci Rep, 9, 2019
5ADB	Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((4-Chloro-3-((methylamino)methyl)phenoxy)methyl) quinolin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2015-08-20 Release date: 2015-10-28 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
8DB1	Crystal structure of native DMATS1 prenyltransferase Descriptor: Dimethylallyltryptophan synthase 1, TRYPTOPHAN Authors: Eaton, S.A, Ronnebaum, T.A, Roose, B.W, Christianson, D.W. Deposit date: 2022-06-14 Release date: 2022-09-28 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.72 Å) Cite: Structural Basis of Substrate Promiscuity and Catalysis by the Reverse Prenyltransferase N -Dimethylallyl-l-tryptophan Synthase from Fusarium fujikuroi . Biochemistry, 61, 2022
6PMY	Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2019-07-02 Release date: 2020-04-29 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.95 Å) Cite: First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
7P4P	Structure of the quinolinate synthase A84L variant complexed with citrate Descriptor: CHLORIDE ION, CITRATE ANION, IRON/SULFUR CLUSTER, ... Authors: Volbeda, A. Deposit date: 2021-07-12 Release date: 2021-09-29 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Transient Formation of a Second Active Site Cavity during Quinolinic Acid Synthesis by NadA. Acs Chem.Biol., 16, 2021
6PN9	Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(thiazol-5-ylmethoxy)phenyl)-4-methylquinolin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2019-07-02 Release date: 2020-04-29 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.84 Å) Cite: First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
5A2O	Crystal structure of the nitrate transporter NRT1.1 from Arabidopsis thaliana in complex with nitrate. Descriptor: NITRATE ION, NITRATE TRANSPORTER 1.1 Authors: Parker, J.L, Newstead, S. Deposit date: 2015-05-20 Release date: 2015-06-17 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (3.71 Å) Cite: Molecular Basis of Nitrate Uptake by the Plant Nitrate Transporter Nrt1.1. Nature, 507, 2014
7U69	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Phenethyl Piperidine-4-acrylhydroxamic Acid Inhibitor Descriptor: (2E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide, PHOSPHATE ION, POTASSIUM ION, ... Authors: Herbst-Gervasoni, C.J, Christianson, D.W. Deposit date: 2022-03-03 Release date: 2022-04-06 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells. Eur.J.Med.Chem., 234, 2022
5A36	Mutations in the Calponin homology domain of Alpha-Actinin-2 affect Actin binding and incorporation in muscle. Descriptor: ALPHA-ACTININ-2 Authors: Haywood, N.J, Wolny, M, Trinh, C.H, Shuping, Y, Edwards, T.A, Peckham, M. Deposit date: 2015-05-27 Release date: 2016-06-22 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2 Å) Cite: Hypertrophic Cardiomyopathy Mutations in the Calponin-Homology Domain of Actn2 Affect Actin Binding and Cardiomyocyte Z-Disc Incorporation. Biochem.J., 473, 2016
5ACV	VIM-2-OX, Discovery of novel inhibitor scaffolds against the metallo- beta-lactamase VIM-2 by SPR based fragment screening Descriptor: BETA-LACTAMASE, CHLORIDE ION, HYDROXIDE ION, ... Authors: Christopeit, T, Carlsen, T.J.O, Helland, R, Leiros, H.K.S. Deposit date: 2015-08-18 Release date: 2015-11-04 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.963 Å) Cite: Discovery of Novel Inhibitor Scaffolds Against the Metallo-Beta-Lactamase Vim-2 by Spr Based Fragment Screening J.Med.Chem., 58, 2015
7U3M	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with N-methylpiperazine Benzhydroxamic Acid Descriptor: N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide, PHOSPHATE ION, POTASSIUM ION, ... Authors: Herbst-Gervasoni, C.J, Christianson, D.W. Deposit date: 2022-02-27 Release date: 2022-04-06 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells. Eur.J.Med.Chem., 234, 2022
7U6A	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 3-thienylmethyl Benzhydroxamic Acid Inhibitor Descriptor: 1,2-ETHANEDIOL, N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide, PHOSPHATE ION, ... Authors: Herbst-Gervasoni, C.J, Christianson, D.W. Deposit date: 2022-03-03 Release date: 2022-04-06 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells. Eur.J.Med.Chem., 234, 2022
6PMP	Crystal structure of a fragment of rat phospholipase Cepsilon EF3-RA1 Descriptor: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase epsilon-1, CALCIUM ION Authors: Rugema, N.Y, Lyon, A.M. Deposit date: 2019-07-02 Release date: 2020-07-08 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.73 Å) Cite: Structure of phospholipase C epsilon reveals an integrated RA1 domain and previously unidentified regulatory elements. Commun Biol, 3, 2020
5AED	A bacterial protein structure in glycoside hydrolase family 31 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ALPHA-GLUCOSIDASE YIHQ, CALCIUM ION Authors: Jin, Y, Speciale, G, Davies, G.J, Williams, S.J, Goddard-Borger, E.D. Deposit date: 2015-08-28 Release date: 2016-02-10 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.91 Å) Cite: Yihq is a Sulfoquinovosidase that Cleaves Sulfoquinovosyl Diacylglyceride Sulfolipids. Nat.Chem.Biol., 12, 2016
7P6V	N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 3ag Descriptor: Bromodomain-containing protein 4, ethyl 2-(2-(4-azido-N-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)methyl)-2,3,5,6-tetrafluorobenzamido)acetamido)acetate Authors: Chung, C. Deposit date: 2021-07-18 Release date: 2021-10-06 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (1.17 Å) Cite: One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics. Chemistry, 27, 2021
8DYH	IL17A homodimer bound to Compound 6 Descriptor: (5P)-N-benzyl-6-chloro-5-(quinolin-5-yl)pyridin-3-amine, GLYCEROL, Interleukin-17A Authors: Argiriadi, M.A, Goedken, E.R. Deposit date: 2022-08-04 Release date: 2022-09-07 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Sci Rep, 12, 2022
7TLX	Crystal Structure of cytochrome c from Pseudomonas putida S16 Descriptor: C-type cytochrome, HEME C Authors: Wu, K, Dulchavsky, M, Stull, F, Bardwell, J.C.A. Deposit date: 2022-01-19 Release date: 2022-04-06 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.9 Å) Cite: The enzyme pseudooxynicotine amine oxidase from Pseudomonas putida S16 is not an oxidase, but a dehydrogenase. J.Biol.Chem., 298, 2022
7TOK	Crystal structure of the CBM domain of carbohydrate esterase FjoAcXE Descriptor: Acetylxylan esterase I Authors: Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E. Deposit date: 2022-01-24 Release date: 2022-04-13 Last modified: 2022-11-02 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans. Molecules, 27, 2022
6PO5	Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-(cyclobutylmethoxy)phenyl)-4-methylquinolin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-(cyclobutylmethoxy)phenyl]-4-methylquinolin-2-amine, GLYCEROL, ... Authors: Li, H, Poulos, T.L. Deposit date: 2019-07-03 Release date: 2020-04-29 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.82 Å) Cite: First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
6VES	Human insulin analog: [GluB10,HisA8,ArgA9]-DOI Descriptor: Insulin A chain, Insulin B chain Authors: Menting, J.G, Chou, D.H.-C, Lawrence, M.C, Xiong, X. Deposit date: 2020-01-02 Release date: 2020-11-11 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Mini-Ins: A Minimal, Bioactive Insulin Analog with Alternative Binding Modes To Be Published
6PPV	Structure of S. pombe Lsm1-7 with RNA, polyuridine with 3' guanosine Descriptor: Probable U6 snRNA-associated Sm-like protein LSm3, Probable U6 snRNA-associated Sm-like protein LSm4, RNA (5'-R(*AP*UP*UP*UP*UP*G)-3'), ... Authors: Montemayor, E.J, Butcher, S.E. Deposit date: 2019-07-08 Release date: 2020-06-17 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Molecular basis for the distinct cellular functions of the Lsm1-7 and Lsm2-8 complexes. Rna, 26, 2020

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