1UP4
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1UP6
| Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.55 Angstrom resolution in the tetragonal form with manganese, NAD+ and glucose-6-phosphate | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, 6-PHOSPHO-BETA-GLUCOSIDASE, MANGANESE (II) ION, ... | Authors: | Varrot, A, Yip, V.L, Withers, S.G, Davies, G.J. | Deposit date: | 2003-09-29 | Release date: | 2004-08-02 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | An Unusual Mechanism of Glycoside Hydrolysis Involving Redox and Elimination Steps by a Family 4 Beta-Glycosidase from Thermotoga Maritima. J.Am.Chem.Soc., 126, 2004
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5KML
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5KMN
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5KMK
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5KMO
| TrkA JM-kinase with 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-(2-pyridyl)urea | Descriptor: | 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-pyridin-2-yl-urea, High affinity nerve growth factor receptor | Authors: | Su, H.P. | Deposit date: | 2016-06-27 | Release date: | 2016-12-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Structural characterization of nonactive site, TrkA-selective kinase inhibitors. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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2OC8
| Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH503034 | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C virus, ZINC ION, ... | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R.S, Arasappan, A, Bennett, F, Bogen, S.L, Chen, K, Jao, E, Liu, Y.T, Lovey, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | Deposit date: | 2006-12-20 | Release date: | 2007-07-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
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4FFW
| Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with Fab + sitagliptin | Descriptor: | (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, Dipeptidyl peptidase 4, Fab heavy chain, ... | Authors: | Wang, Z, Sudom, A, Walker, N.P, Min, X. | Deposit date: | 2012-06-01 | Release date: | 2012-12-12 | Last modified: | 2021-05-19 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition To be published
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1UP7
| Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.4 Angstrom resolution in the tetragonal form with NAD and glucose-6-phosphate | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, 6-PHOSPHO-BETA-GLUCOSIDASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Varrot, A, Yip, V.L, Withers, S.G, Davies, G.J. | Deposit date: | 2003-09-29 | Release date: | 2004-11-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Nad+ and Metal-Ion Dependent Hydrolysis by Family 4 Glycosidases: Structural Insight Into Specificity for Phospho-Beta-D-Glucosides J.Mol.Biol., 346, 2005
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3U9N
| X-ray crystal structure of compound 1 bound to human CHK1 kinase domain | Descriptor: | 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase Chk1 | Authors: | Fischmann, T.O. | Deposit date: | 2011-10-19 | Release date: | 2012-01-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of a Novel Series of CHK1 Kinase Inhibitors with Distinctive Hinge Binding Mode ACS MED.CHEM.LETT., 2012
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2HE2
| Crystal structure of the 3rd PDZ domain of human discs large homologue 2, DLG2 | Descriptor: | Discs large homolog 2 | Authors: | Turnbull, A.P, Phillips, C, Berridge, G, Savitsky, P, Smee, C.E.A, Papagrigoriou, E, Debreczeni, J, Gorrec, F, Elkins, J.M, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2006-06-21 | Release date: | 2006-07-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions. Protein Sci., 16, 2007
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2HE4
| The crystal structure of the second PDZ domain of human NHERF-2 (SLC9A3R2) interacting with a mode 1 PDZ binding motif | Descriptor: | 1,2-ETHANEDIOL, Na(+)/H(+) exchange regulatory cofactor NHE-RF2 | Authors: | Papagrigoriou, E, Elkins, J.M, Berridge, G, Gileady, O, Colebrook, S, Gileadi, C, Salah, E, Savitsky, P, Pantic, N, Gorrec, F, Bunkoczi, G, Weigelt, J, Arrowsmith, C, Sundstrom, M, Edwards, A, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2006-06-21 | Release date: | 2006-07-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions. Protein Sci., 16, 2007
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7Q10
| Acetyltrasferase(3) type IIIa in complex with 3-N-methyl-nemycin B | Descriptor: | 3N methyl nemycin B, ACETATE ION, Aminoglycoside N(3)-acetyltransferase III, ... | Authors: | Pontillo, N, Guskov, A. | Deposit date: | 2021-10-17 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | 3-N-alkylation in aminoglycoside antibiotic neomycin B overcomes bacterial resistance mediated by acetyltransferase (3) IIIa To Be Published
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6K1Z
| Crystal structure of farnesylated hGBP1 | Descriptor: | FARNESYL, Guanylate-binding protein 1 | Authors: | Du, S, Xiao, J.Y. | Deposit date: | 2019-05-13 | Release date: | 2019-06-12 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.307 Å) | Cite: | Structural mechanism for guanylate-binding proteins (GBPs) targeting by the Shigella E3 ligase IpaH9.8. Plos Pathog., 15, 2019
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7F00
| Crystal structure of SPD_0310 | Descriptor: | SULFATE ION, UPF0371 protein SPRM200_0309 | Authors: | Cao, K, Zhang, T, Li, N, Yang, X, Ding, J, He, Q, Sun, X. | Deposit date: | 2021-06-03 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification and Tetramer Structure of Hemin-Binding Protein SPD_0310 Linked to Iron Homeostasis and Virulence of Streptococcus pneumoniae. Msystems, 7, 2022
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6K2D
| The crystal structure of GBP1 with LRR domain of IpaH9.8 | Descriptor: | E3 ubiquitin-protein ligase ipaH9.8, Guanylate-binding protein 1 | Authors: | Ji, C.G, Xiao, J.Y. | Deposit date: | 2019-05-14 | Release date: | 2019-06-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structural mechanism for guanylate-binding proteins (GBPs) targeting by the Shigella E3 ligase IpaH9.8. Plos Pathog., 15, 2019
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4QQN
| Protein arginine methyltransferase 3 in complex with compound MTV044246 | Descriptor: | 1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea, CHLORIDE ION, GLYCEROL, ... | Authors: | Dong, A, Dobrovetsky, E, Tempel, W, He, H, Zhao, K, Smil, D, Landon, M, Luo, X, Chen, Z, Dai, M, Yu, Z, Lin, Y, Zhang, H, Zhao, K, Schapira, M, Brown, P.J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-27 | Release date: | 2014-09-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Discovery of Potent and Selective Allosteric Inhibitors of Protein Arginine Methyltransferase 3 (PRMT3). J. Med. Chem., 61, 2018
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7Q1D
| Acetyltrasferase(3) type IIIa in complex with 3-N-methyl-nemycin B | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aminoglycoside N(3)-acetyltransferase III, CHLORIDE ION, ... | Authors: | Pontillo, N, Guskov, A. | Deposit date: | 2021-10-18 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | 3-N-alkylation in aminoglycoside antibiotic neomycin B overcomes bacterial resistance mediated by acetyltransferase (3) IIIa To Be Published
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7Q0Q
| Acetyltrasferase(3) type IIIa in complex with 3-N-methyl-nemycin B | Descriptor: | 3N methyl nemycin B, ACETATE ION, Aminoglycoside N(3)-acetyltransferase III, ... | Authors: | Pontillo, N, Guskov, A. | Deposit date: | 2021-10-16 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | The 3-N-alkylation of the neomycin B outmaneuvers the aminoglycoside resistant enzyme acetyltransferase(3)IIIa via an unexpected mechanism To Be Published
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7Q1X
| Acetyltrasferase(3) type IIIa in complex with neomycin B | Descriptor: | Aminoglycoside N(3)-acetyltransferase III, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Pontillo, N, Guskov, A. | Deposit date: | 2021-10-21 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The 3-N-alkylation of the neomycin B outmaneuvers the aminoglycoside resistant enzyme acetyltransferase(3)IIIa via an unexpected mechanism To Be Published
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8IPS
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8IPT
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8IPQ
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8IPR
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7BZF
| COVID-19 RNA-dependent RNA polymerase post-translocated catalytic complex | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA (31-MER), ... | Authors: | Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z. | Deposit date: | 2020-04-27 | Release date: | 2020-06-03 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase. Cell, 182, 2020
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