3KUV
 
 | | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK - T42S mutant in complex with acetate. | | Descriptor: | ACETATE ION, Fluoroacetyl coenzyme A thioesterase | | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | | Deposit date: | 2009-11-27 | | Release date: | 2010-04-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
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4OPZ
 | | Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying G238S mutation in complex with boron-based inhibitor EC25 | | Descriptor: | 1,2-ETHANEDIOL, 3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid, ACETATE ION, ... | | Authors: | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | | Deposit date: | 2014-02-07 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
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6DE0
 | | Crystal structure of the single mutant (D52N) of NT5C2-Q523X in the active state | | Descriptor: | Cytosolic purine 5'-nucleotidase, GLYCEROL, PHOSPHATE ION | | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L. | | Deposit date: | 2018-05-10 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
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6DEH
 | | Structure of LpnE Effector Protein from Legionella pneumophila (sp. Philadelphia) | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, NICKEL (II) ION, ... | | Authors: | Voth, K, Chung, I.Y.W, van Straaten, K.E, Cygler, M. | | Deposit date: | 2018-05-11 | | Release date: | 2018-12-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structure of Legionella effector protein LpnE provides insights into its interaction with Oculocerebrorenal syndrome of Lowe (OCRL) protein.
FEBS J., 286, 2019
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4OAE
 | | Crystal structure of a GNAT superfamily acetyltransferase PA4794 C29A/C117A/Y128A mutant in complex with chloramphenicol | | Descriptor: | 1,2-ETHANEDIOL, CHLORAMPHENICOL, GNAT superfamily acetyltransferase PA4794, ... | | Authors: | Majorek, K.A, Chruszcz, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-01-04 | | Release date: | 2014-01-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Crystal structure of a GNAT superfamily acetyltransferase PA4794 C29A/C117A/Y128A mutant in complex with chloramphenicol
To be Published
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4OB9
 | | Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.50A resolution | | Descriptor: | Chorismate synthase | | Authors: | Shukla, P.K, Chaudhary, A, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2014-01-07 | | Release date: | 2014-01-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.50A resolution
To be Published
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8JZM
 | | The inhibitor of Toll-like receptor signaling o-vanillin binds covalently to MAL/TIRAP Lys-210 | | Descriptor: | Toll/interleukin-1 receptor domain-containing adapter protein | | Authors: | Rahaman, M.H, Jia, X, Maxwell, M.J, Mobli, M, Kobe, B. | | Deposit date: | 2023-07-05 | | Release date: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | o-Vanillin binds covalently to MAL/TIRAP Lys-210 but independently inhibits TLR2.
J Enzyme Inhib Med Chem, 39, 2024
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6D8F
 | | RsAgo Ternary Complex with Guide RNA and Target DNA Containing T-T Bulge Within the Seed Segment | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, DNA (5'-D(P*TP*CP*GP*TP*CP*AP*CP*CP*TP*GP*TP*GP*CP*AP*GP*TP*TP*TP*AP*AP*C)-3'), ... | | Authors: | Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J. | | Deposit date: | 2018-04-26 | | Release date: | 2018-07-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA.
Cell Rep, 24, 2018
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6D58
 | | Crystal structure of a Fc fragment of Human IgG3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin heavy constant gamma 3 | | Authors: | Gohain, N, Tolbert, W.D, Pazgier, M. | | Deposit date: | 2018-04-19 | | Release date: | 2019-05-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Crystal structure of a Fc fragment of Human IgG3.
To Be Published
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4OXN
 | | Substrate-like binding mode of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA | | Descriptor: | 3,6,9,12,15-pentaoxaoctadecan-17-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, ... | | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | | Deposit date: | 2014-02-05 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2926 Å) | | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
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3KPO
 | | Crystal Structure of HLA B*4403 in complex with EEYLKAWTF, a mimotope | | Descriptor: | Beta-2-microglobulin, EEYLKAWTF, mimotope peptide, ... | | Authors: | Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J. | | Deposit date: | 2009-11-16 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
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4OZN
 | | GlnK2 from Haloferax mediterranei complexed with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Nitrogen regulatory protein P-II, SULFATE ION | | Authors: | Palanca, C, Pedro-Roig, L, Llacer, J.L, Camacho, M, Bonete, M.J, Rubio, V. | | Deposit date: | 2014-02-17 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The structure of a PII signaling protein from a halophilic archaeon reveals novel traits and high-salt adaptations.
Febs J., 281, 2014
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6DDL
 | | Crystal structure of the single mutant (D52N) of NT5C2-Q523X in the basal state | | Descriptor: | Cytosolic purine 5'-nucleotidase, PHOSPHATE ION | | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L. | | Deposit date: | 2018-05-10 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
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4OMT
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3KQL
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6DE2
 | | Crystal structure of the double mutant (D52N/L375F) of the full-length NT5C2 in the active state | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cytosolic purine 5'-nucleotidase, ... | | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L. | | Deposit date: | 2018-05-10 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
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6KHI
 | | Supercomplex for cylic electron transport in cyanobacteria | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Pan, X, Cao, D, Xie, F, Zhang, X, Li, M. | | Deposit date: | 2019-07-15 | | Release date: | 2020-02-12 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for electron transport mechanism of complex I-like photosynthetic NAD(P)H dehydrogenase.
Nat Commun, 11, 2020
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6DBT
 | | Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs | | Descriptor: | CALCIUM ION, Forward strand of 12-RSS substrate DNA, Forward strand of 23-RSS substrate DNA, ... | | Authors: | Wu, H, Liao, M, Ru, H, Mi, W. | | Deposit date: | 2018-05-03 | | Release date: | 2018-08-01 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | DNA melting initiates the RAG catalytic pathway.
Nat. Struct. Mol. Biol., 25, 2018
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8K9L
 | | Full agonist- and positive allosteric modulator-bound mu-type opioid receptor-G protein complex | | Descriptor: | (2~{S})-2-(3-bromanyl-4-methoxy-phenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine, DAMGO, G protein subunit alpha i3, ... | | Authors: | Hisano, T, Uchikubo-Kamo, T, Shirouzu, M, Imai, S, Kaneko, S, Shimada, I. | | Deposit date: | 2023-08-01 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Structural and dynamic insights into the activation of the mu-opioid receptor by an allosteric modulator.
Nat Commun, 15, 2024
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3KX8
 | | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK | | Descriptor: | fluoroacetyl-CoA thioesterase | | Authors: | Chirgadze, D.Y, Dias, M.V.B, Huang, F, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | | Deposit date: | 2009-12-02 | | Release date: | 2010-04-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
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3KT8
 | | Crystal structure of S. cerevisiae tryptophanyl-tRNA synthetase in complex with L-tryptophanamide | | Descriptor: | L-TRYPTOPHANAMIDE, SULFATE ION, Tryptophanyl-tRNA synthetase, ... | | Authors: | Zhou, M, Dong, X, Zhong, C, Shen, N, Ding, J. | | Deposit date: | 2009-11-24 | | Release date: | 2010-02-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structures of Saccharomyces cerevisiae tryptophanyl-tRNA synthetase: new insights into the mechanism of tryptophan activation and implications for anti-fungal drug design
Nucleic Acids Res., 38, 2010
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4OD9
 | | Structure of Cathepsin D with inhibitor N-(3,4-dimethoxybenzyl)-Nalpha-{N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl}-D-phenylalaninamide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Graedler, U, Czodrowski, P, Tsaklakidis, C, Klein, M, Maskos, K, Leuthner, B. | | Deposit date: | 2014-01-10 | | Release date: | 2014-08-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-based optimization of non-peptidic Cathepsin D inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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6DGU
 | | PER-2 class A extended-spectrum beta-lactamase crystal structure at 2.69 Angstrom resolution | | Descriptor: | Beta-lactamase | | Authors: | Power, P, Ruggiero, M, Gutkind, G, Bonomo, R, Klinke, S. | | Deposit date: | 2018-05-18 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.691 Å) | | Cite: | Structural Insights into the Inhibition of the Extended-Spectrum beta-Lactamase PER-2 by Avibactam.
Antimicrob.Agents Chemother., 63, 2019
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8K9K
 | | Full agonist-bound mu-type opioid receptor-G protein complex | | Descriptor: | DAMGO, G protein subunit alpha i3, Guanine nucleotide binding protein, ... | | Authors: | Hisano, T, Uchikubo-Kamo, T, Shirouzu, M, Imai, S, Kaneko, S, Shimada, I. | | Deposit date: | 2023-08-01 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Structural and dynamic insights into the activation of the mu-opioid receptor by an allosteric modulator.
Nat Commun, 15, 2024
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3KZI
 | | Crystal Structure of Monomeric Form of Cyanobacterial Photosystem II | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Gabdulkhakov, A, Guskov, A, Broser, M, Kern, J, Zouni, A, Saenger, W. | | Deposit date: | 2009-12-08 | | Release date: | 2010-06-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Crystal Structure of Monomeric Photosystem II from Thermosynechococcus elongatus at 3.6-A Resolution
J.Biol.Chem., 285, 2010
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