5D6W
 
 | | Crystal structure of double tudor domain of human lysine demethylase KDM4A | | Descriptor: | Lysine-specific demethylase 4A, S,R MESO-TARTARIC ACID | | Authors: | Wang, F, Su, Z, Denu, J.M, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2015-08-13 | | Release date: | 2015-11-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.992 Å) | | Cite: | Reader domain specificity and lysine demethylase-4 family function.
Nat Commun, 7, 2016
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3USV
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5D7D
 | | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ... | | Authors: | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | | Deposit date: | 2015-08-13 | | Release date: | 2015-11-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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8SOD
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8RHR
 | | E.coli Peptide Deformylase with bound inhibitor BB4 | | Descriptor: | 2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Kirschner, H, Stoll, R, Hofmann, E. | | Deposit date: | 2023-12-16 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Toward More Selective Antibiotic Inhibitors: A Structural View of the Complexed Binding Pocket of E. coli Peptide Deformylase.
J.Med.Chem., 67, 2024
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8S5K
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3UTD
 | | Ec_IspH in complex with 4-oxopentyl diphosphate | | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-oxopentyl trihydrogen diphosphate, FE3-S4 CLUSTER | | Authors: | Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M. | | Deposit date: | 2011-11-25 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
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8RIL
 | | Human RAD52 closed ring conformation | | Descriptor: | DNA repair protein RAD52 homolog | | Authors: | Liang, C.C, West, S.C. | | Deposit date: | 2023-12-18 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Mechanism of single-stranded DNA annealing by RAD52-RPA complex.
Nature, 629, 2024
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8SIG
 | | Crystal Structure of PRMT4 with Compound YD1-288 | | Descriptor: | 5'-{(3-aminopropyl)[2-(benzylcarbamamido)ethyl]amino}-5'-deoxyadenosine, Histone-arginine methyltransferase CARM1, SODIUM ION, ... | | Authors: | Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-04-16 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal Structure of PRMT4 with Compound YD1-288
To be published
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8RIY
 | | Human NUDT5 with ibrutinib derivative | | Descriptor: | 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine, ADP-sugar pyrophosphatase | | Authors: | Balikci-Akil, E, Elkins, J.M, Huber, K.V.M. | | Deposit date: | 2023-12-19 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.288 Å) | | Cite: | Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist.
J.Med.Chem., 67, 2024
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5D8X
 | | 1.50A resolution structure of BfrB (L68A E81A) from Pseudomonas aeruginosa | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Ferroxidase, ... | | Authors: | Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M. | | Deposit date: | 2015-08-18 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
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5D3K
 | | Crystal structure of the thioesterase domain of deoxyerythronolide B synthase | | Descriptor: | CALCIUM ION, Erythronolide synthase, modules 5 and 6, ... | | Authors: | Bergeret, F, Argyropoulos, P, Boddy, C.N, Schmeing, T.M. | | Deposit date: | 2015-08-06 | | Release date: | 2015-12-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Towards a characterization of the structural determinants of specificity in the macrocyclizing thioesterase for deoxyerythronolide B biosynthesis.
Biochim.Biophys.Acta, 1860, 2015
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8S0P
 | | A fragment-based inhibitor of SHP2 | | Descriptor: | 1-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-4-methyl-piperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Cleasby, A, Price, A. | | Deposit date: | 2024-02-14 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
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8SEK
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8SLR
 | | Crystal Structure of mouse TRAIL | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Pedersen, L.C, Xu, D. | | Deposit date: | 2023-04-24 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Heparan sulfate promotes TRAIL-induced tumor cell apoptosis.
Elife, 12, 2024
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5D4N
 | | Structure of CPII bound to ADP, AMP and acetate, from Thiomonas intermedia K12 | | Descriptor: | ACETATE ION, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Wheatley, N.M, Ngo, J, Cascio, D, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2015-08-08 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A PII-Like Protein Regulated by Bicarbonate: Structural and Biochemical Studies of the Carboxysome-Associated CPII Protein.
J.Mol.Biol., 428, 2016
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5DB4
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8SOC
 | | Phosphoinositide phosphate 3 kinase gamma bound with ADP and Gbetagamma | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Chen, C.-L, Tesmer, J.J.G. | | Deposit date: | 2023-04-28 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Molecular basis for G beta gamma-mediated activation of phosphoinositide 3-kinase gamma.
Nat.Struct.Mol.Biol., 2024
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2FU6
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5D4U
 | | SAM-bound HcgC from Methanocaldococcus jannaschii | | Descriptor: | S-ADENOSYLMETHIONINE, SULFATE ION, Uncharacterized protein MJ0489 | | Authors: | Fujishiro, T, Ermler, U, Shima, S. | | Deposit date: | 2015-08-09 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification of HcgC as a SAM-Dependent Pyridinol Methyltransferase in [Fe]-Hydrogenase Cofactor Biosynthesis.
Angew.Chem.Int.Ed.Engl., 55, 2016
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8RJ3
 | | Human RAD52 open ring conformation | | Descriptor: | DNA repair protein RAD52 homolog | | Authors: | Liang, C.C, West, S.C. | | Deposit date: | 2023-12-19 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Mechanism of single-stranded DNA annealing by RAD52-RPA complex.
Nature, 629, 2024
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8RHE
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5D5Q
 | | HcgB from Methanocaldococcus jannaschii with the pyridinol derived from FeGP cofactor of [Fe]-hydrogenase | | Descriptor: | (4,6-dihydroxy-3,5-dimethylpyridin-2-yl)acetic acid, Uncharacterized protein MJ0488, Guanylyltransferase | | Authors: | Fujishiro, T, Ermler, U, Shima, S. | | Deposit date: | 2015-08-11 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Towards artificial methanogenesis: biosynthesis of the [Fe]-hydrogenase cofactor and characterization of the semi-synthetic hydrogenase.
Faraday Discuss., 198, 2017
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8RUD
 | | Crystal structure of Rhizobium etli L-asparaginase ReAV K138A mutant | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Pokrywka, K, Grzechowiak, M, Sliwiak, J, Worsztynowicz, P, Loch, J.I, Ruszkowski, M, Gilski, M, Jaskolski, M. | | Deposit date: | 2024-01-30 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Probing the active site of Class 3 L-asparaginase by mutagenesis. I. Tinkering with the zinc coordination site of ReAV.
Front Chem, 12, 2024
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8RGI
 | | Structure of DYNLT1:DYNLT2B (TCTEX1:TCTEX1D2) heterodimer. | | Descriptor: | Dynein light chain Tctex-type 1, Dynein light chain Tctex-type protein 2B | | Authors: | Mukhopadhyay, A.G, Toropova, K, Daly, L, Wells, J, Vuolo, L, Seda, M, Jenkins, D, Stephens, D.J, Roberts, A.J. | | Deposit date: | 2023-12-13 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structure and tethering mechanism of dynein-2 intermediate chains in intraflagellar transport.
Embo J., 43, 2024
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