5KA7
 
 | | Protein Tyrosine Phosphatase 1B T178A mutant in complex with TCS401, closed state | | Descriptor: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Choy, M.S, Peti, W, Page, R. | | Deposit date: | 2016-06-01 | | Release date: | 2017-03-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.061 Å) | | Cite: | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
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9BOW
 | | X-ray structure of Thermus thermophilus serine hydroxymethyltransferase with PLP-L-Ser external aldimine and 5-formyltetrahydrofolate (folinic acid) | | Descriptor: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SERINE, ... | | Authors: | Drago, V.N, Kovalevsky, A. | | Deposit date: | 2024-05-06 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Universality of critical active site glutamate as an acid-base catalyst in serine hydroxymethyltransferase function.
Chem Sci, 15, 2024
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9BPE
 | | Joint X-ray/neutron structure of Thermus thermophilus serine hydroxymethyltransferase (TthSHMT) in internal aldimine state and folinic acid bound | | Descriptor: | ACETATE ION, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SULFATE ION, ... | | Authors: | Drago, V.N, Kovalevsky, A. | | Deposit date: | 2024-05-07 | | Release date: | 2024-08-28 | | Method: | NEUTRON DIFFRACTION (2.3 Å), X-RAY DIFFRACTION | | Cite: | Universality of critical active site glutamate as an acid-base catalyst in serine hydroxymethyltransferase function.
Chem Sci, 15, 2024
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5K5P
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9BF5
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2IC9
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9BGO
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9BJF
 | | Tungstate binding protein (Tungbindin) from Eubacterium limosum in apo form | | Descriptor: | Molybdenum-pterin binding domain-containing protein, SULFATE ION | | Authors: | Zhou, D, Rose, J.P, Chen, L, Wang, B.C. | | Deposit date: | 2024-04-25 | | Release date: | 2024-09-04 | | Last modified: | 2025-04-23 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Storage of the vital metal tungsten in a dominant SCFA-producing human gut microbe Eubacterium limosum and implications for other gut microbes.
Mbio, 16, 2025
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1LKC
 | | Crystal Structure of L-Threonine-O-3-Phosphate Decarboxylase from Salmonella enterica | | Descriptor: | 1,2-ETHANEDIOL, L-threonine-O-3-phosphate decarboxylase, PHOSPHATE ION, ... | | Authors: | Cheong, C.G, Bauer, C.B, Brushaber, K.R, Escalante-Semerena, J.C, Rayment, I. | | Deposit date: | 2002-04-24 | | Release date: | 2002-05-01 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Three-dimensional structure of the L-threonine-O-3-phosphate decarboxylase (CobD) enzyme from Salmonella enterica.
Biochemistry, 41, 2002
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5KAL
 | | Terminal uridylyl transferase 4 from Trypanosoma brucei with bound UTP and UpU | | Descriptor: | MAGNESIUM ION, RNA (5'-R(*UP*U)-3'), RNA uridylyltransferase 4, ... | | Authors: | Stagno, J.R, Luecke, H, Afasizhev, R. | | Deposit date: | 2016-06-01 | | Release date: | 2016-10-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | RNA Editing TUTase 1: structural foundation of substrate recognition, complex interactions and drug targeting.
Nucleic Acids Res., 44, 2016
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9BKA
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9BKB
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6THB
 | | Receptor binding domain of the Cedar Virus attachment glycoprotein (G) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Attachment glycoprotein | | Authors: | Pryce, R, Rissanen, I, Harlos, K, Bowden, T. | | Deposit date: | 2019-11-19 | | Release date: | 2019-12-18 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | A key region of molecular specificity orchestrates unique ephrin-B1 utilization by Cedar virus.
Life Sci Alliance, 3, 2020
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9BPA
 | | Human DNA polymerase theta helicase domain in complex with inhibitor AB25583, tetramer form | | Descriptor: | (4P)-N-{5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl}-4-(2-methoxyphenyl)pyridine-3-carboxamide, DNA polymerase theta | | Authors: | Ito, F, Li, Z, Chen, X.S. | | Deposit date: | 2024-05-07 | | Release date: | 2024-08-28 | | Method: | ELECTRON MICROSCOPY (3.21 Å) | | Cite: | Structural basis for a Pol theta helicase small-molecule inhibitor revealed by cryo-EM.
Nat Commun, 15, 2024
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5KB2
 | | Crystal Structure of a Tris-thiolate Zn(II)S3O Complex in a de Novo Three-stranded Coiled Coil Peptide | | Descriptor: | ZINC ION, Zn(II)(H2O)(GRAND Coil Ser-L12AL16C)3- | | Authors: | Ruckthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L. | | Deposit date: | 2016-06-02 | | Release date: | 2016-08-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins.
J.Am.Chem.Soc., 138, 2016
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2ICI
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6ZJQ
 | | Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E517Q in complex with galactose | | Descriptor: | ACETATE ION, Beta-galactosidase, MALONATE ION, ... | | Authors: | Rutkiewicz, M, Bujacz, A, Bujacz, G. | | Deposit date: | 2020-06-29 | | Release date: | 2020-08-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mapping the Transglycosylation Relevant Sites of Cold-Adapted beta-d-Galactosidase fromArthrobactersp. 32cB.
Int J Mol Sci, 21, 2020
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9BGN
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1LLR
 | | CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0012 | | Descriptor: | 3-AMINO-4-{3-[2-(2-PROPOXY-ETHOXY)-ETHOXY]-PROPYLAMINO}-CYCLOBUT-3-ENE-1,2-DIONE, 5-aminocarbonyl-3-nitrophenyl alpha-D-galactopyranoside, CHOLERA TOXIN B SUBUNIT | | Authors: | Merritt, E.A, Hol, W.G.J. | | Deposit date: | 2002-04-30 | | Release date: | 2002-08-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Characterization and crystal structure of a high-affinity pentavalent receptor-binding inhibitor for cholera toxin and E. coli heat-labile enterotoxin.
J.Am.Chem.Soc., 124, 2002
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2ICW
 | | Crystal structure of a complete ternary complex between TCR, superantigen, and peptide-MHC class II molecule | | Descriptor: | HLA class II histocompatibility antigen, DR alpha chain, DRB1-1 beta chain, ... | | Authors: | Wang, L, Zhao, Y, Li, H. | | Deposit date: | 2006-09-13 | | Release date: | 2007-03-20 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Crystal structure of a complete ternary complex of TCR, superantigen and peptide-MHC.
Nat.Struct.Mol.Biol., 14, 2007
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6ZJW
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9BJV
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9BK4
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5K79
 | | Structure and anti-HIV activity of CYT-CVNH, a new cyanovirin-n homolog | | Descriptor: | 1,2-ETHANEDIOL, Cyanovirin-N domain protein, DI(HYDROXYETHYL)ETHER | | Authors: | Matei, E, Basu, R, Furey, W, Shi, J, Calnan, C, Aiken, C, Gronenborn, A.M. | | Deposit date: | 2016-05-25 | | Release date: | 2016-07-20 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and Glycan Binding of a New Cyanovirin-N Homolog.
J.Biol.Chem., 291, 2016
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9BK2
 | | Crystal structure of Lactate dehydrogenase in complex with 4-((4-(1-methyl-1H-imidazole-2-carbonyl)phenyl)amino)-4-oxo-2-(4-(trifluoromethyl)phenyl)butanoic acid (S-enantiomer, monoclinic P form) | | Descriptor: | (2S)-4-[4-(1-methyl-1H-imidazole-2-carbonyl)anilino]-4-oxo-2-[4-(trifluoromethyl)phenyl]butanoic acid, DIMETHYL SULFOXIDE, L-lactate dehydrogenase A chain, ... | | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Sharma, H. | | Deposit date: | 2024-04-26 | | Release date: | 2024-07-10 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Synthesis and biological characterization of an orally bioavailable lactate dehydrogenase-A inhibitor against pancreatic cancer.
Eur.J.Med.Chem., 275, 2024
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