9ENQ
 
 | | HSV-1 DNA polymerase-processivity factor complex in exonuclease state active site with 1-bp DNA mismatch | | Descriptor: | CALCIUM ION, DNA (46-MER), DNA (67-MER), ... | | Authors: | Gustavsson, E, Grunewald, K, Elias, P, Hallberg, B.M. | | Deposit date: | 2024-03-13 | | Release date: | 2024-05-29 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.12 Å) | | Cite: | Dynamics of the Herpes simplex virus DNA polymerase holoenzyme during DNA synthesis and proof-reading revealed by Cryo-EM.
Nucleic Acids Res., 52, 2024
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6P8X
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6PEA
 | | High Resolution Apo Carbonic Anhydrase II | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2 | | Authors: | Andring, J.T, McKenna, R. | | Deposit date: | 2019-06-20 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structure and mechanism of copper-carbonic anhydrase II: a nitrite reductase.
Iucrj, 7, 2020
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4ZT6
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-[(4R)-6,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-N'-(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1709) | | Descriptor: | DIMETHYL SULFOXIDE, METHIONINE, Methionyl-tRNA synthetase, ... | | Authors: | Koh, C.-Y, Hol, W.G.J. | | Deposit date: | 2015-05-14 | | Release date: | 2016-05-04 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | 5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
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5VCT
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6PL6
 | | Structural coordination of polymerization and crosslinking by a peptidoglycan synthase complex | | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Penicillin-binding protein 2/cell division protein FtsI, Peptidoglycan glycosyltransferase RodA, ... | | Authors: | Sjodt, M, Rohs, P.D.A, Erlandson, S.C, Zheng, S, Rudner, D.Z, Bernhardt, T.G, Kruse, A.C. | | Deposit date: | 2019-06-30 | | Release date: | 2020-03-18 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural coordination of polymerization and crosslinking by a SEDS-bPBP peptidoglycan synthase complex.
Nat Microbiol, 5, 2020
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5VCY
 | | CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH BOSUTINIB | | Descriptor: | 1,2-ETHANEDIOL, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2017-04-01 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
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5UKV
 | | DHp domain of PhoR of M. tuberculosis - SeMet | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, ATP-binding protein, ... | | Authors: | Wang, S. | | Deposit date: | 2017-01-23 | | Release date: | 2017-12-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Asymmetric Structure of the Dimerization Domain of PhoR, a Sensor Kinase Important for the Virulence of Mycobacterium tuberculosis.
ACS Omega, 2, 2017
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3NWP
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9HG4
 | | NACHT domain of NLRP3 in complex with DFV890 | | Descriptor: | 1-[azanyl-oxidanylidene-[2-(2-oxidanylpropan-2-yl)-1,3-thiazol-5-yl]-$l^{6}-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea, ADENOSINE-5'-DIPHOSPHATE, NACHT, ... | | Authors: | Dekker, C. | | Deposit date: | 2024-11-18 | | Release date: | 2025-03-19 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2.771 Å) | | Cite: | Discovery of DFV890, a Potent Sulfonimidamide-Containing NLRP3 Inflammasome Inhibitor.
J.Med.Chem., 68, 2025
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7CTM
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5WHW
 | | Using sound pulses to solve the crystal harvesting bottleneck | | Descriptor: | 1,2-ETHANEDIOL, BICINE, CALCIUM ION, ... | | Authors: | Soares, A.S, Brennan, H.M, Natarajan, R, McCarthy, L, Leroy, L. | | Deposit date: | 2017-07-18 | | Release date: | 2017-08-02 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Using sound pulses to solve the crystal-harvesting bottleneck.
Acta Crystallogr D Struct Biol, 74, 2018
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6INI
 | | a glycosyltransferase complex with UDP and the product | | Descriptor: | (8alpha,9beta,10alpha,13alpha)-13-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}kaur-16-en-18-oic acid, 1-O-[(8alpha,9beta,10alpha,13alpha)-13-(beta-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Zhu, X, Yang, T, Naismith, J.H. | | Deposit date: | 2018-10-25 | | Release date: | 2019-07-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
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7KZE
 | | Substrate-dependent divergence of leukotriene A4 hydrolase aminopeptidase activity | | Descriptor: | 1-benzyl-4-methoxybenzene, Leukotriene A-4 hydrolase, TRIETHYLENE GLYCOL, ... | | Authors: | Lee, K.H, Shim, Y, Paige, M, Noble, S.M. | | Deposit date: | 2020-12-10 | | Release date: | 2022-06-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Substrate-dependent modulation of the leukotriene A 4 hydrolase aminopeptidase activity and effect in a murine model of acute lung inflammation.
Sci Rep, 12, 2022
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6EBE
 | | Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. | | Descriptor: | 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P. | | Deposit date: | 2018-08-06 | | Release date: | 2018-11-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | 4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
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9INE
 | | Cryo-EM structure of human XPR1 in closed state in the presence of KIDINS220-1-432 | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ARACHIDONIC ACID, ... | | Authors: | Zuo, P, Liang, L, Yin, Y. | | Deposit date: | 2024-07-06 | | Release date: | 2025-04-02 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | Synergistic activation of the human phosphate exporter XPR1 by KIDINS220 and inositol pyrophosphate.
Nat Commun, 16, 2025
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2V4N
 | | Crystal structure of Salmonella typhimurium SurE at 1.7 angstrom resolution in orthorhombic form | | Descriptor: | GLYCEROL, MAGNESIUM ION, MULTIFUNCTIONAL PROTEIN SUR E, ... | | Authors: | Anju, P, Savithri, H.S, Murthy, M.R.N. | | Deposit date: | 2008-09-26 | | Release date: | 2008-12-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and Functional Studies on a Mesophilic Stationary Phase Survival Protein (Sur E) from Salmonella Typhimurium
FEBS J., 275, 2008
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4YV0
 | | Crystal structure of Trypanosoma cruzi spermidine synthase in complex with (2S)-N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine- 2-carboxamid | | Descriptor: | (2S)-N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide, 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, Spermidine synthase, ... | | Authors: | Amano, Y, Tateishi, Y. | | Deposit date: | 2015-03-19 | | Release date: | 2015-09-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase
Acta Crystallogr.,Sect.D, 71, 2015
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3KRA
 | | Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium | | Descriptor: | 1,2-ETHANEDIOL, Geranyl diphosphate synthase large subunit, Geranyl diphosphate synthase small subunit, ... | | Authors: | Chang, T.-H, Ko, T.-P, Hsieh, F.-L, Wang, A.H.-J. | | Deposit date: | 2009-11-18 | | Release date: | 2010-02-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation
Plant Cell, 22, 2010
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6BPF
 | | CTX-M-151 class A extended-spectrum beta-lactamase crystal structure in complex with avibactam at 1.32 Angstrom resolution | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | | Authors: | Power, P, Ghiglione, B, Rodriguez, M.M, Gutkind, G, Ishii, Y, Bonomo, R.A, Klinke, S. | | Deposit date: | 2017-11-23 | | Release date: | 2018-11-28 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.318 Å) | | Cite: | Structural and Biochemical Characterization of the Novel CTX-M-151 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam.
Antimicrob.Agents Chemother., 65, 2021
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9F44
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2PTY
 | | Crystal Structure of the T. brucei enolase complexed with PEP | | Descriptor: | 1,2-ETHANEDIOL, Enolase, PHOSPHOENOLPYRUVATE, ... | | Authors: | Navarro, M.V.A.S, Rigden, D.J, Garratt, R.C, Dias, S.M.G. | | Deposit date: | 2007-05-08 | | Release date: | 2007-11-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics.
Febs J., 274, 2007
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6VH5
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9F45
 | | cryo-EM structure of human LST2 bound to human mTOR complex 1 | | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Lateral signaling target protein 2 homolog, Regulatory-associated protein of mTOR, ... | | Authors: | Craigie, L.M, Maier, T. | | Deposit date: | 2024-04-26 | | Release date: | 2024-08-14 | | Last modified: | 2024-08-28 | | Method: | ELECTRON MICROSCOPY (3.74 Å) | | Cite: | mTORC1 phosphorylates and stabilizes LST2 to negatively regulate EGFR.
Proc.Natl.Acad.Sci.USA, 121, 2024
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6GB4
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