7T0J
 
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7T0F
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7KNG
 | | 2.10A resolution structure of independent Phosphoglycerate mutase from C. elegans in complex with a macrocyclic peptide inhibitor (Ce-2 Y7F) | | Descriptor: | 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, CHLORIDE ION, DTY-ASP-TYR-PRO-GLY-ASP-PHE-CYS-TYR-LEU-TYR-GLY-THR-CYS, ... | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Weidmann, M, Dranchak, P, Aitha, M, Queme, B, Collmus, C.D, Kanter, L, Lamy, L, Tao, D, Rai, G, Suga, H, Inglese, J. | | Deposit date: | 2020-11-04 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-activity relationship of ipglycermide binding to phosphoglycerate mutases.
J.Biol.Chem., 296, 2021
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7T0K
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7KNF
 | | 1.80A resolution structure of independent Phosphoglycerate mutase from C. elegans in complex with a macrocyclic peptide inhibitor (Ce-1 NHOH) | | Descriptor: | 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, DTY-ASP-TYR-PRO-GLY-ASP-HIS-CYS-TYR-LEU-TYR-GLY-THR, SODIUM ION, ... | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Weidmann, M, Dranchak, P, Aitha, M, Queme, B, Collmus, C.D, Kanter, L, Lamy, L, Tao, D, Rai, G, Suga, H, Inglese, J. | | Deposit date: | 2020-11-04 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-activity relationship of ipglycermide binding to phosphoglycerate mutases.
J.Biol.Chem., 296, 2021
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6ETO
 | | Atomic resolution structure of RNase A (data collection 5) | | Descriptor: | ISOPROPYL ALCOHOL, Ribonuclease pancreatic | | Authors: | Caterino, M, Vergara, A, Merlino, A. | | Deposit date: | 2017-10-27 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH-like 2-Heptyl-3-hydroxy-4(1H)-quinolone (PQS) Biosynthesis Enzyme PqsBC.
Chembiochem, 2018
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7PV7
 | | Crystal structure of dimeric Porphyromonas gingivalis PorX, a type 9 secretion system response regulator. | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, FORMIC ACID, GLYCEROL, ... | | Authors: | Schmitz, C.A, Madej, M, Potempa, J, Sola, M. | | Deposit date: | 2021-10-01 | | Release date: | 2022-12-14 | | Last modified: | 2022-12-28 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Response regulator PorX coordinates oligonucleotide signalling and gene expression to control the secretion of virulence factors.
Nucleic Acids Res., 50, 2022
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7PVA
 | | 1.9 Angstrom crystal structure of dimeric PorX, co-crystallized in the presence of zinc | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Schmitz, C.A, Madej, M, Potempa, J, Sola, M. | | Deposit date: | 2021-10-01 | | Release date: | 2022-12-14 | | Last modified: | 2022-12-28 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Response regulator PorX coordinates oligonucleotide signalling and gene expression to control the secretion of virulence factors.
Nucleic Acids Res., 50, 2022
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7PVK
 | | X-ray structure of dimeric PorX (T272A mutant), in complex with pGpG. | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, FORMIC ACID, GLYCEROL, ... | | Authors: | Schmitz, C.A, Madej, M, Potempa, J, Sola, M. | | Deposit date: | 2021-10-04 | | Release date: | 2022-12-14 | | Last modified: | 2023-01-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Response regulator PorX coordinates oligonucleotide signalling and gene expression to control the secretion of virulence factors
Nucleic Acids Res., 50, 2022
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7PK4
 | | Tick salivary cystatin Ricistatin in complex with cathepsin V | | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L2, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Busa, M, Mares, M. | | Deposit date: | 2021-08-25 | | Release date: | 2022-12-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Protease-bound structure of Ricistatin provides insights into the mechanism of action of tick salivary cystatins in the vertebrate host.
Cell.Mol.Life Sci., 80, 2023
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5C7B
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 5 | | Descriptor: | (2R)-2-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-24 | | Release date: | 2015-08-12 | | Last modified: | 2015-09-09 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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6FFT
 | | Neutron structure of human transthyretin (TTR) S52P mutant in complex with tafamidis at room temperature to 2A resolution (quasi-Laue) | | Descriptor: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin | | Authors: | Yee, A.W, Moulin, M, Blakeley, M.P, Haertlein, M, Mitchell, E.P, Forsyth, V.T. | | Deposit date: | 2018-01-09 | | Release date: | 2019-01-02 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | | Cite: | A molecular mechanism for transthyretin amyloidogenesis.
Nat Commun, 10, 2019
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6EY7
 | | Human cytomegalovirus terminase nuclease domain, Mn soaked, inhibitor bound | | Descriptor: | 4-[(4-fluorophenyl)methyl-methyl-amino]-2,4-bis(oxidanylidene)butanoic acid, CHLORIDE ION, MANGANESE (II) ION, ... | | Authors: | Bongarzone, S, Nadal, M, Kaczmarska, Z, Machon, C, Alvarez, M, Albericio, F, Coll, M. | | Deposit date: | 2017-11-10 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-Driven Discovery of alpha , gamma-Diketoacid Inhibitors Against UL89 Herpesvirus Terminase.
Acs Omega, 3, 2018
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5KT2
 | | Teranry complex of human DNA polymerase iota(26-445) inserting dCMPNPP opposite template G in the presence of Mg2+ | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*CP*TP*GP*GP*GP*GP*TP*CP*CP*T)-3'), DNA (5'-D(P*AP*GP*GP*AP*CP*CP*C)-3'), ... | | Authors: | Choi, J.Y, Patra, A, Yeom, M, Lee, Y.S, Zhang, Q, Egli, M, Guengerich, F.P. | | Deposit date: | 2016-07-11 | | Release date: | 2016-08-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.488 Å) | | Cite: | Kinetic and Structural Impact of Metal Ions and Genetic Variations on Human DNA Polymerase iota.
J.Biol.Chem., 291, 2016
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6CB1
 | | Yeast nucleolar pre-60S ribosomal subunit (state 3) | | Descriptor: | 35S pre-ribosomal RNA miscRNA, 5.8S rRNA, 60S ribosomal protein L13-A, ... | | Authors: | Sanghai, Z.A, Miller, L, Barandun, J, Hunziker, M, Chaker-Margot, M, Klinge, S. | | Deposit date: | 2018-02-01 | | Release date: | 2018-03-14 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Modular assembly of the nucleolar pre-60S ribosomal subunit.
Nature, 556, 2018
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7ST8
 | | Crystal structure of 7H2.2 Fab in complex with SAS1B C-terminal region | | Descriptor: | 7H2.2 Fab Heavy Chain, 7H2.2 Fab Light Chain, Astacin-like metalloendopeptidase | | Authors: | Legg, M.S.G, Evans, S.V. | | Deposit date: | 2021-11-12 | | Release date: | 2022-05-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Monoclonal antibody 7H2.2 binds the C-terminus of the cancer-oocyte antigen SAS1B through the hydrophilic face of a conserved amphipathic helix corresponding to one of only two regions predicted to be ordered
Acta Crystallogr.,Sect.D, 78, 2022
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6F20
 | | Complex between MTH1 and compound 1 (a 7-azaindole-4-ester derivative) | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, Ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate, ... | | Authors: | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | | Deposit date: | 2017-11-23 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
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5N6L
 | | Structure of the membrane integral lipoprotein N-acyltransferase Lnt C387A mutant from E. coli | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apolipoprotein N-acyltransferase, GLYCEROL | | Authors: | Huang, C.-Y, Boland, C, Howe, N, Wiktor, M, Vogeley, L, Weichert, D, Bailey, J, Olieric, V, Wang, M, Caffrey, M. | | Deposit date: | 2017-02-15 | | Release date: | 2017-07-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural insights into the mechanism of the membrane integral N-acyltransferase step in bacterial lipoprotein synthesis.
Nat Commun, 8, 2017
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6V7V
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5COJ
 | | Structure of Hydroxyethylthiazole kinase ThiM from Staphylococcus aureus in complex with native substrate 2-(4-methyl-1,3-thiazol-5-yl)ethanol. | | Descriptor: | 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, Hydroxyethylthiazole kinase, MAGNESIUM ION | | Authors: | Drebes, J, Kuenz, M, Eberle, R.J, Oberthuer, D, Cang, H, Wrenger, C, Betzel, C. | | Deposit date: | 2015-07-20 | | Release date: | 2016-03-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of ThiM from Vitamin B1 biosynthetic pathway of Staphylococcus aureus - Insights into a novel pro-drug approach addressing MRSA infections.
Sci Rep, 6, 2016
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4TKW
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4TL4
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7PKU
 | | Structure of SARS-CoV-2 nucleoprotein in dynamic complex with its viral partner nsp3a | | Descriptor: | 3C-like proteinase, Nucleoprotein | | Authors: | Bessa, L.M, Guseva, S, Camacho-Zarco, A.R, Salvi, N, Blackledge, M. | | Deposit date: | 2021-08-26 | | Release date: | 2022-01-19 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | The intrinsically disordered SARS-CoV-2 nucleoprotein in dynamic complex with its viral partner nsp3a.
Sci Adv, 8, 2022
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5C0K
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 3 | | Descriptor: | (2S)-1-{[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-1-oxopropan-2-aminium, 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase XIAP, ... | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-12 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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6FAF
 | | Crystal structure of human carbonic anhydrase I in complex with the 3-(2,5-dimethylphenyl)-1-(2-hydroxy-5-sulfamoylphenyl)urea inhibitor | | Descriptor: | 1-(2,5-dimethylphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea, Carbonic anhydrase 1, GLYCEROL, ... | | Authors: | Ferraroni, M, Supuran, C.T, Bozdag, M, Chiapponi, D. | | Deposit date: | 2017-12-15 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Discovery of 4-Hydroxy-3-(3-(phenylureido)benzenesulfonamides as SLC-0111 Analogues for the Treatment of Hypoxic Tumors Overexpressing Carbonic Anhydrase IX.
J. Med. Chem., 61, 2018
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