4IZV
 
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4IVS
 | | Crystal structure of BACE1 with its inhibitor | | Descriptor: | Beta-secretase 1, N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(6-cyano-1H-indol-1-yl)acetamide | | Authors: | Chen, T.T, Li, L, Chen, W.Y, Xu, Y.C. | | Deposit date: | 2013-01-23 | | Release date: | 2013-11-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.636 Å) | | Cite: | Virtual screening and structure-based discovery of indole acylguanidines as potent beta-secretase (BACE1) inhibitors
Molecules, 18, 2013
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3LG6
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4JFD
 | | Preservation of peptide specificity during TCR-MHC contact dominated affinity enhancement of a melanoma-specific TCR | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K. | | Deposit date: | 2013-02-28 | | Release date: | 2013-05-29 | | Last modified: | 2013-07-17 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | T-cell receptor specificity maintained by altered thermodynamics.
J.Biol.Chem., 288, 2013
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3LFF
 | | Human p38 MAP Kinase in Complex with RL166 | | Descriptor: | (4-{3-tert-butyl-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1H-pyrazol-1-yl}phenyl)acetic acid, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | | Deposit date: | 2010-01-16 | | Release date: | 2011-04-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
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4J76
 | | Crystal Structure of a parasite tRNA synthetase, ligand-free | | Descriptor: | GLYCEROL, Tryptophanyl-tRNA synthetase | | Authors: | Koh, C.Y, Kim, J.E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2013-02-12 | | Release date: | 2013-05-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal structures of Plasmodium falciparum cytosolic tryptophanyl-tRNA synthetase and its potential as a target for structure-guided drug design.
Mol.Biochem.Parasitol., 189, 2013
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4J6H
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4JJR
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4K20
 | | Crystal structure of Canavalia boliviana lectin | | Descriptor: | CALCIUM ION, Canavalia boliviana lectin, MANGANESE (II) ION | | Authors: | Viertlmayr, R, Bezerra, G.A, Moura, T.R, Delatorre, P, Rocha, B.A.M, Cavada, B.S, Gruber, K. | | Deposit date: | 2013-04-07 | | Release date: | 2014-04-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural Studies of an Anti-Inflammatory Lectin from Canavalia boliviana Seeds in Complex with Dimannosides.
Plos One, 9, 2014
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4K2K
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS L25A/L36A/I92A at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | | Deposit date: | 2013-04-09 | | Release date: | 2013-04-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Pressure effects on proteins
To be Published
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4K1Z
 | | Crystal structure of Canavalia boliviana lectin in complex with Man1-4Man-OMe | | Descriptor: | CADMIUM ION, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Bezerra, G.A, Viertlmayr, R, Moura, T.R, Delatorre, P, Rocha, B.A.M, Cavada, B.S, Gruber, K. | | Deposit date: | 2013-04-07 | | Release date: | 2014-04-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Studies of an Anti-Inflammatory Lectin from Canavalia boliviana Seeds in Complex with Dimannosides.
Plos One, 9, 2014
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4JZJ
 | | Crystal Structure of Receptor-Fab Complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Heavy Chain, Fab Light Chain, ... | | Authors: | Broughton, S.E, Parker, M.W. | | Deposit date: | 2013-04-03 | | Release date: | 2014-04-09 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Dual mechanism of interleukin-3 receptor blockade by an anti-cancer antibody
Cell Rep, 8, 2014
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4KAG
 | | Crystal structure analysis of a single amino acid deletion mutation in EGFP | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Green fluorescent protein, ... | | Authors: | Arpino, J.A.J, Rizkallah, P.J. | | Deposit date: | 2013-04-22 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Structural and dynamic changes associated with beneficial engineered single-amino-acid deletion mutations in enhanced green fluorescent protein.
Acta Crystallogr.,Sect.D, 70, 2014
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4K5X
 | | Crystal structure of Staphylococcal nuclease variant V23M/L36F at cryogenic temperature | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CALCIUM ION, PHOSPHATE ION, ... | | Authors: | Caro, J.A, Flores, E, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | | Deposit date: | 2013-04-15 | | Release date: | 2013-04-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Pressure effects on proteins
To be Published
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4KJN
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23T/V66A/V99T at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | | Deposit date: | 2013-05-03 | | Release date: | 2013-05-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Cavities in proteins
To be Published
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4KLX
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4IQB
 | | High Resolution Crystal Structure of C.elegans Thymidylate Synthase | | Descriptor: | SULFATE ION, Thymidylate synthase | | Authors: | Wilk, P, Dowiercial, A, Banaszak, K, Jarmula, A, Rypniewski, W, Rode, W. | | Deposit date: | 2013-01-11 | | Release date: | 2014-01-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS.
J. Mol. Graph. Model., 77, 2017
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4JFE
 | | Preservation of peptide specificity during TCR-MHC contact dominated affinity enhancement of a melanoma-specific TCR | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K. | | Deposit date: | 2013-02-28 | | Release date: | 2013-05-29 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | T-cell receptor specificity maintained by altered thermodynamics.
J.Biol.Chem., 288, 2013
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4J6U
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4JDD
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3K5P
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3K2H
 | | Co-crystal structure of dihydrofolate reductase/thymidylate synthase from Babesia bovis with dUMP, Pemetrexed and NADP | | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, ... | | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2009-09-30 | | Release date: | 2009-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inhibitor-bound complexes of dihydrofolate reductase-thymidylate synthase from Babesia bovis.
Acta Crystallogr.,Sect.F, 67, 2011
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4JQ9
 | | Dihydrolipoyl dehydrogenase of Escherichia coli pyruvate dehydrogenase complex | | Descriptor: | CHLORIDE ION, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Tietzel, M, Neumann, P, Meyer, D, Ficner, R, Tittmann, K. | | Deposit date: | 2013-03-20 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Dihydrolipoyl dehydrogenase of Escherichia coli pyruvate dehydrogenase complex
TO BE PUBLISHED
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4LCG
 | | Crystal structure of the Pseudomonas aeruginosa LPXC/LPC-050 complex | | Descriptor: | (betaS)-Nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N,beta-dihydroxy-L-tyrosinamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... | | Authors: | Lee, C.-J, Zhou, P. | | Deposit date: | 2013-06-21 | | Release date: | 2013-08-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.568 Å) | | Cite: | Synthesis, Structure, and Antibiotic Activity of Aryl-Substituted LpxC Inhibitors.
J.Med.Chem., 56, 2013
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4L0F
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