PDB: 225399 resultsInfo pagesStatus searchChemie searchBIRD

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4HVO	1.75 angstrom x-ray crystal structure of cufe reconstituted 3-hydroxyanthranilate-3,4-dioxygenase from cupriavidus metallidurans Descriptor: 3-hydroxyanthranilate 3,4-dioxygenase, COPPER (II) ION, FE (II) ION Authors: Liu, F, Chen, L, Liu, A. Deposit date: 2012-11-06 Release date: 2013-11-27 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.75 Å) Cite: An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE. J.Biol.Chem., 290, 2015
4HMU	Crystal structure of PhzG from Pseudomonas fluorescens 2-79 in complex with tetrahydrophenazine-1-carboxylic acid after 1 day of soaking Descriptor: (1R,10aS)-1,2,10,10a-tetrahydrophenazine-1-carboxylic acid, FLAVIN MONONUCLEOTIDE, Phenazine biosynthesis protein phzG, ... Authors: Xu, N.N, Ahuja, E.G, Blankenfeldt, W. Deposit date: 2012-10-18 Release date: 2013-08-07 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.56 Å) Cite: Trapped intermediates in crystals of the FMN-dependent oxidase PhzG provide insight into the final steps of phenazine biosynthesis Acta Crystallogr.,Sect.D, 69, 2013
3WPF	Crystal structure of mouse TLR9 (unliganded form) Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Toll-like receptor 9 Authors: Ohto, U, Shimizu, T. Deposit date: 2014-01-11 Release date: 2015-02-11 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.959 Å) Cite: Structural basis of CpG and inhibitory DNA recognition by Toll-like receptor 9 Nature, 520, 2015
3WK3	Orotidine 5'-monophosphate decarboxylase K72A mutant from M. thermoautotrophicus complexed with orotidine 5'-monophosphate ethyl ester Descriptor: 6-(ethoxycarbonyl)uridine 5'-(dihydrogen phosphate), GLYCEROL, Orotidine 5'-phosphate decarboxylase Authors: Fujihashi, M, Pai, E.F, Miki, K. Deposit date: 2013-10-17 Release date: 2013-12-04 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.26 Å) Cite: Substrate distortion contributes to the catalysis of orotidine 5'-monophosphate decarboxylase. J.Am.Chem.Soc., 135, 2013
4HV7	Structure of ricin A chain bound with N-(N-(pterin-7-yl)carbonylglycyl)glycine Descriptor: 2-[2-[(2-azanyl-4-oxidanylidene-1H-pteridin-7-yl)carbonylamino]ethanoylamino]ethanoic acid, MALONIC ACID, Ricin, ... Authors: Jasheway, K.R, Monzingo, A.F, Saito, R, Pruet, J.M, Manzano, L.A, Wiget, P.A, Anslyn, E.V, Robertus, J.D. Deposit date: 2012-11-05 Release date: 2012-12-26 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.869 Å) Cite: Peptide-conjugated pterins as inhibitors of ricin toxin A. J.Med.Chem., 56, 2013
4HVQ	X-ray crystal structure of FECU reconstituted 3-hydroxyanthranilate-3,4-dioxygenase from cupriavidus metallidurans Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION Authors: Liu, F, Chen, L, Liu, A. Deposit date: 2012-11-06 Release date: 2013-11-27 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.81 Å) Cite: An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE. J.Biol.Chem., 290, 2015
4N2A	Crystal structure of Protein Arginine Deiminase 2 (5 mM Ca2+) Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... Authors: Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. Deposit date: 2013-10-04 Release date: 2015-02-04 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
8AHO	Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with cyanamide analogue 31 Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, NITRATE ION, ... Authors: de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. Deposit date: 2022-07-22 Release date: 2023-08-02 Method: X-RAY DIFFRACTION (2.3 Å) Cite: High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors. Chem Sci, 14, 2023
3W3K	Crystal structure of human TLR8 in complex with CL075 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine, ... Authors: Tanji, H, Ohto, U, Shimizu, T. Deposit date: 2012-12-22 Release date: 2013-04-03 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands Science, 339, 2013
3WF3	Crystal structure of human beta-galactosidase mutant I51T in complex with Galactose Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactosidase, ... Authors: Suzuki, H, Ohto, U, Shimizu, T. Deposit date: 2013-07-16 Release date: 2014-04-23 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Structural basis of pharmacological chaperoning for human beta-galactosidase to be published
8AQ6	NanoLuc luciferase with bound furimamide in surface allosteric site Descriptor: CHLORIDE ION, GLYCEROL, N-(3-Benzyl-5-phenylpyrazin-2-yl)-2-(furan-2-yl)acetamide, ... Authors: Nemergut, M, Marek, M. Deposit date: 2022-08-11 Release date: 2023-08-23 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.69 Å) Cite: Illuminating the mechanism and allosteric behavior of NanoLuc luciferase. Nat Commun, 14, 2023
8AQI	NanoLuc luciferase with bound coelenteramide in surface allosteric site Descriptor: CHLORIDE ION, N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE, NanoLuc luciferase, ... Authors: Nemergut, M, Marek, M. Deposit date: 2022-08-12 Release date: 2023-08-23 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.99 Å) Cite: Illuminating the mechanism and allosteric behavior of NanoLuc luciferase. Nat Commun, 14, 2023
3WCO	Crystal structure of the depentamerized mutant of N-terminal truncated selenocysteine synthase SelA Descriptor: L-seryl-tRNA(Sec) selenium transferase, THIOSULFATE Authors: Itoh, Y, Sekine, S, Yokoyama, S. Deposit date: 2013-05-29 Release date: 2014-01-22 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Dimer-Dimer Interaction of the Bacterial Selenocysteine Synthase SelA Promotes Functional Active-Site Formation and Catalytic Specificity J.Mol.Biol., 426, 2014
4I8H	Bovine trypsin at 0.75 resolution Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... Authors: Dauter, Z, Liebschner, D, Dauter, M, Brzuszkiewicz, A. Deposit date: 2012-12-03 Release date: 2012-12-19 Last modified: 2013-09-18 Method: X-RAY DIFFRACTION (0.75 Å) Cite: On the reproducibility of protein crystal structures: five atomic resolution structures of trypsin. Acta Crystallogr.,Sect.D, 69, 2013
4LMI	Crystal structure of putative ketosteroid isomerase from Kribbella flavida DSM 17836 Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Uncharacterized protein Authors: Chang, C, Chhor, G, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) Deposit date: 2013-07-10 Release date: 2013-07-31 Last modified: 2013-08-21 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal structure of putative ketosteroid isomerase from Kribbella flavida DSM 17836 To be Published
3WK0	Wild-type orotidine 5'-monophosphate decarboxylase from M. thermoautotrophicus complexed with orotidine 5'-monophosphate methyl ester Descriptor: 6-(methoxycarbonyl)uridine 5'-(dihydrogen phosphate), GLYCEROL, Orotidine 5'-phosphate decarboxylase Authors: Fujihashi, M, Pai, E.F, Miki, K. Deposit date: 2013-10-17 Release date: 2013-12-04 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.41 Å) Cite: Substrate distortion contributes to the catalysis of orotidine 5'-monophosphate decarboxylase. J.Am.Chem.Soc., 135, 2013
4HKA	Crystal structure of Drosophila melanogaster tryptophan 2,3-dioxygenase in complex with HEME Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase Authors: Huang, W, Ding, J. Deposit date: 2012-10-15 Release date: 2013-03-27 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Crystal structure of Drosophila melanogaster tryptophan 2,3-dioxygenase reveals insights into substrate recognition and catalytic mechanism. J.Struct.Biol., 181, 2013
3WVH	Time-Resolved Crystal Structure of HindIII with 25sec soaking Descriptor: DNA (5'-D(*GP*CP*CP*AP*AP*GP*CP*TP*TP*GP*GP*C)-3'), GLYCEROL, MANGANESE (II) ION, ... Authors: Kawamura, T, Kobayashi, T, Watanabe, N. Deposit date: 2014-05-21 Release date: 2015-04-08 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.54 Å) Cite: Analysis of the HindIII-catalyzed reaction by time-resolved crystallography Acta Crystallogr.,Sect.D, 71, 2015
8ANC	14-3-3 sigma sirtuin-3 phospho-peptide complex Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... Authors: Weyand, M, Steegborn, C, Debbert, L. Deposit date: 2022-08-05 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.11 Å) Cite: 14-3-3 sigma sirtuin-3 phospho-peptide complex To Be Published
8AKF	Human Sirt6 in complex with ADP-ribose and fragment 3-aminobenzamide Descriptor: 1,2-ETHANEDIOL, 3-aminobenzamide, CHLORIDE ION, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
4HSW	Structure of the L100F mutant of dehaloperoxidase-hemoglobin A from Amphitrite ornata Descriptor: Dehaloperoxidase A, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Thompson, M.K, Plummer, A, Franzen, S. Deposit date: 2012-10-31 Release date: 2013-05-01 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.22 Å) Cite: Role of polarity of the distal pocket in the control of inhibitor binding in dehaloperoxidase-hemoglobin. Biochemistry, 52, 2013
4HO0	Crystal structure of glucose 1-phosphate thymidylyltransferase from Aneurinibacillus thermoaerophilus Descriptor: Glucose-1-phosphate thymidylyltransferase, SULFATE ION Authors: Chen, T.J, Chien, W.T, Lin, C.C, Wang, W.C. Deposit date: 2012-10-22 Release date: 2013-10-23 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal structure of glucose 1-phosphate thymidylyltransferase from Aneurinibacillus thermoaerophilus TO BE PUBLISHED
4LML	GLIC double mutant I9'A T25'A Descriptor: Proton-gated ion channel Authors: Grosman, C, Gonzalez-Gutierrez, G. Deposit date: 2013-07-10 Release date: 2013-10-30 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (3.8 Å) Cite: Gating of the proton-gated ion channel from Gloeobacter violaceus at pH 4 as revealed by X-ray crystallography. Proc.Natl.Acad.Sci.USA, 110, 2013
4LKO	Crystal structure of human DPP-IV in complex with BMS-744891 Descriptor: 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one, Dipeptidyl peptidase 4 Authors: Klei, H.E. Deposit date: 2013-07-08 Release date: 2013-09-04 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.43 Å) Cite: Optimization of Activity, Selectivity, and Liability Profiles in 5-Oxopyrrolopyridine DPP4 Inhibitors Leading to Clinical Candidate (Sa)-2-(3-(Aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778). J.Med.Chem., 56, 2013
8ANB	14-3-3 sigma sirtuin-1 phospho-peptide complex Descriptor: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... Authors: Weyand, M, Steegborn, C, Debbert, L. Deposit date: 2022-08-05 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.64 Å) Cite: 14-3-3 sigma sirtuin-1 phospho-peptide complex To Be Published

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