6EFJ
 
 | | Crystal structure of NDM-1 with compound 9 | | Descriptor: | (2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide, Metallo-beta-lactamase type 2, ZINC ION | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2018-08-16 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
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6HF5
 | | Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-431 Inhibitor | | Descriptor: | 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid, ACETATE ION, Beta-lactamase class B VIM-2, ... | | Authors: | Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S. | | Deposit date: | 2018-08-21 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | SAR Studies Leading to the Identification of a Novel Series of Metallo-beta-lactamase Inhibitors for the Treatment of Carbapenem-Resistant Enterobacteriaceae Infections That Display Efficacy in an Animal Infection Model.
Acs Infect Dis., 5, 2019
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6PBO
 | | Staphylococcus aureus Dihydrofolate reductase in complex with NADPH and UCP1232 | | Descriptor: | (4-{6-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2H-1,3-benzodioxol-4-yl}phenyl)acetic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Reeve, S.M, Wright, D.L. | | Deposit date: | 2019-06-14 | | Release date: | 2019-10-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.649 Å) | | Cite: | Toward Broad Spectrum Dihydrofolate Reductase Inhibitors Targeting Trimethoprim Resistant Enzymes Identified in Clinical Isolates of Methicillin ResistantStaphylococcus aureus.
Acs Infect Dis., 5, 2019
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2WV8
 | | Complex of human dihydroorotate dehydrogenase with the inhibitor 221290 | | Descriptor: | 2-ACETAMIDO-5-(4-PHENYLPHENYL)BENZOIC ACID, ACETATE ION, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, ... | | Authors: | Walse, B, Svensson, B, Fritzson, I, Dahlberg, L, Wellmar, U, Al-Karadaghi, S. | | Deposit date: | 2009-10-15 | | Release date: | 2010-08-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Inhibition of Human Dhodh by 4-Hydroxycoumarins, Fenamic Acids, and N-(Alkylcarbonyl)Anthranilic Acids Identified by Structure-Guided Fragment Selection.
Chemmedchem, 5, 2010
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5IXE
 | | 1.75A RESOLUTION STRUCTURE OF 5-Fluoroindole BOUND BETA-GLYCOSIDASE (W33G) FROM SULFOLOBUS SOLFATARICUS | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-fluoro-1H-indole, Beta-galactosidase, ... | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Budiardjo, S.J, Karanicolas, J. | | Deposit date: | 2016-03-23 | | Release date: | 2016-07-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Full and Partial Agonism of a Designed Enzyme Switch.
ACS Synth Biol, 5, 2016
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8AYX
 | | Poliovirus type 3 (strain Saukett) stabilised virus-like particle (PV3 SC8) in complex with GSH and GPP3 | | Descriptor: | 1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE, Capsid protein, VP0, ... | | Authors: | Bahar, M.W, Fry, E.E, Stuart, D.I. | | Deposit date: | 2022-09-04 | | Release date: | 2022-12-07 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | A conserved glutathione binding site in poliovirus is a target for antivirals and vaccine stabilisation.
Commun Biol, 5, 2022
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6MIA
 | | Crystal structure of CTX-M-14 with compound 6 | | Descriptor: | 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Beta-lactamase | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2018-09-19 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
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3LL9
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6MEY
 | | Crystal structure of KPC-2 with compound 9 | | Descriptor: | (2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide, ACETATE ION, Carbapenem-hydrolyzing beta-lactamase KPC | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2018-09-07 | | Release date: | 2019-04-17 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
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6M7I
 | | Crystal structure of KPC-2 with compound 3 | | Descriptor: | 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2018-08-20 | | Release date: | 2019-04-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
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6VX2
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6MLL
 | | Crystal structure of KPC-2 with compound 7 | | Descriptor: | 1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2018-09-27 | | Release date: | 2019-04-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
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6MNP
 | | Crystal structure of KPC-2 with compound 6 | | Descriptor: | 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2018-10-02 | | Release date: | 2019-04-17 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
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7VEX
 | | Crystal Structure of GTP-bound Irgb6 | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, T-cell-specific guanine nucleotide triphosphate-binding protein 2 | | Authors: | Saijo-Hamano, Y, Sakai, N, Nitta, R. | | Deposit date: | 2021-09-10 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Structural basis of membrane recognition of Toxoplasma gondii vacuole by Irgb6.
Life Sci Alliance, 5, 2022
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4CIK
 | | plasminogen kringle 1 in complex with inhibitor | | Descriptor: | 5-[(2R,4S)-2-(phenylmethyl)piperidin-4-yl]-1,2-oxazol-3-one, PLASMINOGEN | | Authors: | Xue, Y, Johansson, C, Cheng, L, Pettersen, D, Gustafsson, D. | | Deposit date: | 2013-12-10 | | Release date: | 2014-06-18 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Discovery of the Fibrinolysis Inhibitor Azd6564, Acting Via Interference of a Protein-Protein Interaction.
Acs Med.Chem.Lett., 5, 2014
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8HY3
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3LL5
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3EMR
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6ZWZ
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4N49
 | | Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 Protein in complex with m7GpppG and SAM | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1, S-ADENOSYLMETHIONINE, ... | | Authors: | Smietanski, M, Werener, M, Purta, E, Kaminska, K.H, Stepinski, J, Darzynkiewicz, E, Nowotny, M, Bujnicki, J.M. | | Deposit date: | 2013-10-08 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural analysis of human 2'-O-ribose methyltransferases involved in mRNA cap structure formation.
Nat Commun, 5, 2014
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4X35
 | | A micro-patterned silicon chip as sample holder for macromolecular crystallography experiments with minimal background scattering | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Roedig, P, Vartiainen, I, Duman, R, Panneerselvam, S, Stuebe, N, Lorbeer, O, Warmer, M, Sutton, G, Stuart, D.I, Weckert, E, David, C, Wagner, A, Meents, A. | | Deposit date: | 2014-11-27 | | Release date: | 2015-06-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A micro-patterned silicon chip as sample holder for macromolecular crystallography experiments with minimal background scattering.
Sci Rep, 5, 2015
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6YWT
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5C3C
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6QK7
 | | Elongator catalytic subcomplex Elp123 lobe | | Descriptor: | 5'-DEOXYADENOSINE, Elongator complex protein 1, Elongator complex protein 2, ... | | Authors: | Dauden, M.I, Jaciuk, M, Glatt, S. | | Deposit date: | 2019-01-28 | | Release date: | 2019-07-17 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Molecular basis of tRNA recognition by the Elongator complex.
Sci Adv, 5, 2019
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6MDU
 | | Crystal structure of NDM-1 with compound 7 | | Descriptor: | 1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide, GLYCEROL, Metallo-beta-lactamase type 2, ... | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2018-09-05 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
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