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
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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
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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
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3WK3
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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
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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
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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
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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
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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
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3WF3
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8AQ6
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8AQI
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3WCO
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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
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4LMI
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3WK0
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4HKA
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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
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8ANC
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8AKF
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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
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4HO0
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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
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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
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8ANB
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