4YIJ
 
 | | Crystal structure of Staphylcoccal nuclease variant Delta+PHS A109E at cryogenic temperature | | Descriptor: | CALCIUM ION, Nuclease A, THYMIDINE-3',5'-DIPHOSPHATE | | Authors: | Skerritt, L.A, Bell-Upp, P.C, Schlessman, J.L, Garcia-Moreno, E.B. | | Deposit date: | 2015-03-02 | | Release date: | 2015-03-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of Staphylcoccal nuclease variant Delta+PHS A109E at cryogenic temperature
to be published
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6HCV
 | | Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with a chromone ligand | | Descriptor: | 6-fluoranyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide, Lysine--tRNA ligase | | Authors: | Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H. | | Deposit date: | 2018-08-16 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7A8P
 | | Structure of human mitochondrial RNA polymerase in complex with IMT inhibitor. | | Descriptor: | (3~{R})-1-[(2~{R})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid, DNA-directed RNA polymerase, mitochondrial | | Authors: | Hillen, H.S, Bonekamp, N, Peter, B, Felser, A, Bergbrede, T, Choidas, A, Horn, M, Unger, A, di Lucrezia, R, Atanassov, I, Li, X, Koch, U, Menninger, S, Boros, J, Habenberger, P, Giavalisco, P, Cramer, P, Denzel, M, Nussbaumer, P, Klebl, B, Falkenberg, M, Gustafsson, C.M, Larsson, N.G. | | Deposit date: | 2020-08-30 | | Release date: | 2020-12-30 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Small-molecule inhibitors of human mitochondrial DNA transcription.
Nature, 588, 2020
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5JTF
 | | Crystal structure of ArsN N-acetyltransferase from Pseudomonas putida KT2440 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Putative Phosphinothricin N-acetyltransferase | | Authors: | Venkadesh, S, Dheeman, D.S, Kandavelu, P, Rosen, B.P. | | Deposit date: | 2016-05-09 | | Release date: | 2017-05-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.156 Å) | | Cite: | Arsinothricin, an arsenic-containing non-proteinogenic amino acid analog of glutamate, is a broad-spectrum antibiotic.
Commun Biol, 2, 2019
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4YKF
 | | Crystal Structure of the Alkylhydroperoxide Reductase subunit F (AhpF) with NADH from Escherichia coli | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alkyl hydroperoxide reductase subunit F, CADMIUM ION, ... | | Authors: | Kamariah, N, Manimekalai, M.S.S, Gruber, G, Eisenhaber, F, Eisenhaber, B. | | Deposit date: | 2015-03-04 | | Release date: | 2015-07-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystallographic and solution studies of NAD(+)- and NADH-bound alkylhydroperoxide reductase subunit F (AhpF) from Escherichia coli provide insight into sequential enzymatic steps
Biochim.Biophys.Acta, 1847, 2015
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5M5A
 | | Crystal structure of MELK in complex with an inhibitor | | Descriptor: | CHLORIDE ION, K-252A, Maternal embryonic leucine zipper kinase, ... | | Authors: | Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S. | | Deposit date: | 2016-10-21 | | Release date: | 2017-12-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The target landscape of clinical kinase drugs.
Science, 358, 2017
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6Z2Q
 | | Crystal structure of wild type OgpA from Akkermansia muciniphila in complex with an O-glycopeptide (GalGalNAc-TS) product | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Glycodrosocin, ... | | Authors: | Trastoy, B, Naegali, A, Anso, I, Sjogren, J, Guerin, M.E. | | Deposit date: | 2020-05-18 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.347 Å) | | Cite: | Structural basis of mammalian mucin processing by the human gut O-glycopeptidase OgpA from Akkermansia muciniphila.
Nat Commun, 11, 2020
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6O0W
 | | Crystal structure of the TIR domain from the grapevine disease resistance protein RUN1 in complex with NADP+ and Bis-Tris | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-2'-5'-DIPHOSPHATE, TIR-NB-LRR type resistance protein RUN1 | | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | | Deposit date: | 2019-02-17 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
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7AAC
 | | Crystal structure of the catalytic domain of human PARP1 in complex with veliparib | | Descriptor: | (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, Poly [ADP-ribose] polymerase 1, SULFATE ION | | Authors: | Schimpl, M, Ogden, T.E.H, Yang, J.-C, Easton, L.E, Underwood, E, Rawlins, P.B, Johannes, J.W, Embrey, K.J, Neuhaus, D. | | Deposit date: | 2020-09-04 | | Release date: | 2021-01-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.593 Å) | | Cite: | Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition.
Nucleic Acids Res., 49, 2021
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8EJN
 | | Structure of dehaloperoxidase A in complex with 2,4-dichlorophenol | | Descriptor: | 2,4-dichlorophenol, DIMETHYL SULFOXIDE, Dehaloperoxidase A, ... | | Authors: | Aktar, M.S, de Serrano, V.S, Franzen, S. | | Deposit date: | 2022-09-17 | | Release date: | 2023-08-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.481 Å) | | Cite: | Comparative study of the binding and activation of 2,4-dichlorophenol by dehaloperoxidase A and B.
J.Inorg.Biochem., 247, 2023
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6BMA
 | | The crystal structure of indole-3-glycerol phosphate synthase from Campylobacter jejuni subsp. jejuni NCTC 11168 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Tan, K, Zhou, M, Nocek, B, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-11-14 | | Release date: | 2017-11-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | The crystal structure of indole-3-glycerol phosphate synthase from Campylobacter jejuni subsp. jejuni NCTC 11168
To Be Published
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6HRQ
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with NCC-149 | | Descriptor: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-09-28 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.845 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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8AQW
 | | BA.4/5 SARS-CoV-2 Spike bound to mouse ACE2 (local) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, ... | | Authors: | Lau, K, Ni, D, Beckert, B, Nazarov, S, Myasnikov, A, Pojer, F, Stahlberg, H, Uchikawa, E. | | Deposit date: | 2022-08-13 | | Release date: | 2023-03-15 | | Last modified: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures and binding of mouse and human ACE2 to SARS-CoV-2 variants of concern indicate that mutations enabling immune escape could expand host range.
Plos Pathog., 19, 2023
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8U23
 | | A Highly Stable Variant of Corynactis Californica Green Fluorescent Protein, ccGFP 8 | | Descriptor: | Green Fluorescent Protein Variant #8, ccGFP 8 | | Authors: | Hung, L.-W, Terwilliger, T.C, Waldo, G, Nguyen, H.B. | | Deposit date: | 2023-09-05 | | Release date: | 2024-01-31 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Engineering highly stable variants of Corynactis californica green fluorescent proteins.
Protein Sci., 33, 2024
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1C84
 | | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH 3-(OXALYL-AMINO)-NAPHTHALENE-2-CARBOXLIC ACID | | Descriptor: | 3-(OXALYL-AMINO)-NAPHTHALENE-2-CARBOXYLIC ACID, PROTEIN (PROTEIN-TYROSINE PHOSPHATASE 1B) | | Authors: | Andersen, H.S, Iversen, L.F, Branner, S, Rasmussen, H.B, Moller, N.P. | | Deposit date: | 2000-04-14 | | Release date: | 2000-05-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | 2-(oxalylamino)-benzoic acid is a general, competitive inhibitor of protein-tyrosine phosphatases.
J.Biol.Chem., 275, 2000
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4YKG
 | | Crystal Structure of the Alkylhydroperoxide Reductase subunit F (AhpF) with NAD+ from Escherichia coli | | Descriptor: | Alkyl hydroperoxide reductase subunit F, CADMIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kamariah, N, Manimekalai, M.S.S, Gruber, G, Eisenhaber, F, Eisenhaber, B. | | Deposit date: | 2015-03-04 | | Release date: | 2015-07-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystallographic and solution studies of NAD(+)- and NADH-bound alkylhydroperoxide reductase subunit F (AhpF) from Escherichia coli provide insight into sequential enzymatic steps
Biochim.Biophys.Acta, 1847, 2015
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6NLF
 | | 1.45 A resolution structure of apo BfrB from Pseudomonas aeruginosa | | Descriptor: | Ferroxidase, POTASSIUM ION | | Authors: | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | | Deposit date: | 2019-01-08 | | Release date: | 2019-05-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity.
J.Am.Chem.Soc., 141, 2019
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6QGG
 | | Structure of human Bcl-2 in complex with analogue of ABT-737 | | Descriptor: | Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, [(3~{R})-3-[[4-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-11 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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8V04
 | | High resolution TMPRSS2 structure following acylation by nafamostat | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, ... | | Authors: | Fraser, B.J, Dong, A, Kutera, M, Seitova, A, Li, Y, Hutchinson, A, Edwards, A, Benard, F, Levon, H, Arrowsmith, C. | | Deposit date: | 2023-11-16 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | High resolution TMPRSS2 structure following acylation by nafamostat
To Be Published
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8BZ4
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5MDR
 | | Crystal structure of in vitro folded Chitoporin VhChip from Vibrio harveyi in complex with chitohexaose | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitoporin, ... | | Authors: | Zahn, M, van den Berg, B. | | Deposit date: | 2016-11-13 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for chitin acquisition by marine Vibrio species.
Nat Commun, 9, 2018
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6G63
 | | RNase E in complex with sRNA RrpA | | Descriptor: | RNA (5'-R(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3'), Ribonuclease E, URIDINE-5'-MONOPHOSPHATE, ... | | Authors: | Bandyra, K.B, Luisi, B.F. | | Deposit date: | 2018-03-31 | | Release date: | 2018-10-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.95 Å) | | Cite: | Substrate Recognition and Autoinhibition in the Central Ribonuclease RNase E.
Mol. Cell, 72, 2018
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4YLQ
 | | Crystal Structure of a FVIIa-Trypsin Chimera (FT) in Complex with Soluble Tissue Factor | | Descriptor: | CALCIUM ION, Coagulation factor VII, N-PROPANOL, ... | | Authors: | Sorensen, A.B, Svensson, L.A, Gandhi, P.S. | | Deposit date: | 2015-03-05 | | Release date: | 2015-12-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Molecular Basis of Enhanced Activity in Factor VIIa-Trypsin Variants Conveys Insights into Tissue Factor-mediated Allosteric Regulation of Factor VIIa Activity.
J.Biol.Chem., 291, 2016
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5JBS
 | | Conformational changes during monomer-to-dimer transition of Brucella suis VirB8 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Arya, T, Sharifahmadian, M, Sygusch, J, Baron, B. | | Deposit date: | 2016-04-13 | | Release date: | 2017-03-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | NMR analyses, X-ray crystallography and small-molecule probing reveal conformational shifts during monomer-to-dimer transition of Brucella suis VirB8
To Be Published
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6Z5Q
 | | The RSL - sulfonato-calix[8]arene complex, P3 form, acetate pH 4.0 | | Descriptor: | Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ... | | Authors: | Ramberg, K, Engilberge, S, Crowley, P.B. | | Deposit date: | 2020-05-27 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Facile Fabrication of Protein-Macrocycle Frameworks.
J.Am.Chem.Soc., 143, 2021
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