5A0L
 
 | | N-terminal thioester domain of fibronectin-binding protein SfbI from Streptococcus pyogenes | | Descriptor: | ACETATE ION, FIBRONECTIN-BINDING PROTEIN, ZINC ION | | Authors: | Walden, M, Edwards, J.M, Dziewulska, A.M, Kan, S.-Y, Schwarz-Linek, U, Banfield, M.J. | | Deposit date: | 2015-04-21 | | Release date: | 2015-06-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | An internal thioester in a pathogen surface protein mediates covalent host binding.
Elife, 4, 2015
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5BVB
 | | Engineered Digoxigenin binder DIG5.1a | | Descriptor: | DIG5.1a, DIGOXIGENIN | | Authors: | Doyle, L.A, Stoddard, B.L. | | Deposit date: | 2015-06-04 | | Release date: | 2015-10-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge.
J.Chem.Inf.Model., 56, 2016
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5BOT
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5APJ
 | | Ligand complex of RORg LBD | | Descriptor: | 2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4-BENZOXAZEPIN-7-YL]BENZAMIDE, NUCLEAR RECEPTOR COACTIVATOR 2, NUCLEAR RECEPTOR ROR-GAMMA, ... | | Authors: | Xue, Y, Aagaard, A, Narjes, F. | | Deposit date: | 2015-09-16 | | Release date: | 2015-11-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma.
ChemMedChem, 11, 2016
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5E0S
 | | crystal structure of the active form of the proteolytic complex clpP1 and clpP2 | | Descriptor: | ATP-dependent Clp protease proteolytic subunit 1, ATP-dependent Clp protease proteolytic subunit 2 | | Authors: | LI, M, Wlodawer, A, Maurizi, M. | | Deposit date: | 2015-09-29 | | Release date: | 2016-02-17 | | Last modified: | 2016-04-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure and Functional Properties of the Active Form of the Proteolytic Complex, ClpP1P2, from Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016
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5DMU
 | | Structure of the NHEJ polymerase from Methanocella paludicola | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, NHEJ Polymerase, ... | | Authors: | Brissett, N.C, Bartlett, E.J, Doherty, A.J. | | Deposit date: | 2015-09-09 | | Release date: | 2015-10-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.949 Å) | | Cite: | Molecular basis for DNA strand displacement by NHEJ repair polymerases.
Nucleic Acids Res., 44, 2016
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5BS9
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5BOY
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5BTS
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5DW0
 | | TrpB from Pyrococcus furiosus with L-serine bound as the external aldimine | | Descriptor: | SODIUM ION, Tryptophan synthase beta chain 1, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE | | Authors: | Buller, A.R, Arnold, F.H. | | Deposit date: | 2015-09-22 | | Release date: | 2015-11-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Directed evolution of the tryptophan synthase beta-subunit for stand-alone function recapitulates allosteric activation.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5DZR
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5E5G
 | | 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase with D-tryptophan bound in the tryptophan and phenylalanine binding sites | | Descriptor: | 3-deoxy-D-arabinoheptulosonate-7-phosphate synthase, D-TRYPTOPHAN, MANGANESE (II) ION, ... | | Authors: | Reichau, S, Jiao, W, Parker, E.J. | | Deposit date: | 2015-10-08 | | Release date: | 2016-06-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Probing the Sophisticated Synergistic Allosteric Regulation of Aromatic Amino Acid Biosynthesis in Mycobacterium tuberculosis Using -Amino Acids.
Plos One, 11, 2016
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5E8C
 | | pseudorabies virus nuclear egress complex, pUL31, pUL34 | | Descriptor: | CHLORIDE ION, UL31, UL34 protein, ... | | Authors: | Zeev-Ben-Mordehai, T, Cheleski, J, Whittle, C, El Omari, K, Harlos, K, Hagen, C, Klupp, B, Mettenleiter, T.C, Gruenewald, K. | | Deposit date: | 2015-10-14 | | Release date: | 2015-12-23 | | Last modified: | 2016-01-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of the Herpesvirus Nuclear Egress Complex Provides Insights into Inner Nuclear Membrane Remodeling.
Cell Rep, 13, 2015
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5EBT
 | | Tankyrase 1 with Phthalazinone 2 | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 4-[bis(fluoranyl)-[3-[[(6~{S})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one, Tankyrase-1, ... | | Authors: | Kazmirski, S.L, Johannes, J. | | Deposit date: | 2015-10-19 | | Release date: | 2016-03-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering.
Bioorg.Med.Chem.Lett., 25, 2015
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5DMP
 | | Structure of the Archaeal NHEJ Phosphoesterase from Methanocella paludicola. | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Uncharacterized protein, ... | | Authors: | Brissett, N.C, Bartlett, E.J, Doherty, A.J. | | Deposit date: | 2015-09-09 | | Release date: | 2015-10-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.793 Å) | | Cite: | Molecular basis for DNA strand displacement by NHEJ repair polymerases.
Nucleic Acids Res., 44, 2016
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4QKV
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4PY1
 | | Crystal structure of Tyk2 in complex with compound 15, 6-((2,5-dimethoxyphenyl)thio)-3-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine | | Descriptor: | 6-[(2,5-dimethoxyphenyl)sulfanyl]-3-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Han, S, Knafels, J.D. | | Deposit date: | 2014-03-25 | | Release date: | 2014-09-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Kinase domain inhibition of leucine rich repeat kinase 2 (LRRK2) using a [1,2,4]triazolo[4,3-b]pyridazine scaffold.
Bioorg.Med.Chem.Lett., 24, 2014
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4PZ1
 | | Crystal structure of a sHIP (UniProt Id: Q99XU0) mutant from Streptococcus pyogenes | | Descriptor: | CALCIUM ION, CHLORIDE ION, sHIP | | Authors: | Wisniewska, M, Happonen, L, Frick, I.-M, Bjorck, L, Streicher, W, Malmstrom, J, Wikstrom, M. | | Deposit date: | 2014-03-28 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Functional and structural properties of a novel protein and virulence factor (Protein sHIP) in Streptococcus pyogenes.
J.Biol.Chem., 289, 2014
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8IRK
 | | Carbon Sulfoxide lyase | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, PYRUVIC ACID, Probable hercynylcysteine sulfoxide lyase | | Authors: | Gong, W.M, Wei, L.L, Liu, L. | | Deposit date: | 2023-03-18 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of Mycobacterial ergothioneine-biosynthesis C-S lyase EgtE
To Be Published
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4Q4W
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4QBL
 | | VRR_NUC domain protein | | Descriptor: | MAGNESIUM ION, VRR-NUC | | Authors: | Smerdon, S.J, Pennell, S, Li, J. | | Deposit date: | 2014-05-08 | | Release date: | 2014-09-10 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | FAN1 activity on asymmetric repair intermediates is mediated by an atypical monomeric virus-type replication-repair nuclease domain.
Cell Rep, 8, 2014
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4QEU
 | | Crystal structure of BRD2(BD2) mutant in free form | | Descriptor: | ACETATE ION, Bromodomain-containing protein 2, GLYCEROL | | Authors: | Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A. | | Deposit date: | 2014-05-19 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Chemical biology. A bump-and-hole approach to engineer controlled selectivity of BET bromodomain chemical probes.
Science, 346, 2014
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4PX5
 | | Human GKRP bound to AMG-0696 and Sorbitol-6-phosphate | | Descriptor: | D-SORBITOL-6-PHOSPHATE, GLYCEROL, Glucokinase regulatory protein, ... | | Authors: | Jordan, S.R, Chmait, S. | | Deposit date: | 2014-03-21 | | Release date: | 2015-05-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery and Structure Guided Optimization of Diarylmethanesulfonamide Disruptors of GK-GKRP Binding
To be Published
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4PZ5
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4Q4V
 | | Crystal structure of Coxsackievirus A24v | | Descriptor: | Coxsackievirus capsid protein VP1, Coxsackievirus capsid protein VP2, Coxsackievirus capsid protein VP3, ... | | Authors: | Zocher, G, Stehle, T. | | Deposit date: | 2014-04-15 | | Release date: | 2014-11-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A sialic Acid binding site in a human picornavirus.
Plos Pathog., 10, 2014
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