4OC7
 
 | | Retinoic acid receptor alpha in complex with (E)-3-(3'-allyl-6-hydroxy-[1,1'-biphenyl]-3-yl)acrylic acid and a fragment of the coactivator TIF2 | | Descriptor: | (2E)-3-[6-hydroxy-3'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Leysen, S, Scheepstra, M, Brunsveld, L, Milroy, L.G, Ottmann, C. | | Deposit date: | 2014-01-08 | | Release date: | 2014-10-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A natural-product switch for a dynamic protein interface.
Angew.Chem.Int.Ed.Engl., 53, 2014
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3V20
 | | Crystal structure of Type IIF restriction endonuclease Bse634I with cognate DNA | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Manakova, E.N, Grazulis, S, Golovenko, D, Tamulaitiene, G. | | Deposit date: | 2011-12-11 | | Release date: | 2012-04-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural mechanisms of the degenerate sequence recognition by Bse634I restriction endonuclease.
Nucleic Acids Res., 40, 2012
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3UVQ
 | | Human p38 MAP Kinase in Complex with a Dibenzosuberone Derivative | | Descriptor: | Mitogen-activated protein kinase 14, N-{5-[(7-{[(2R)-2,3-dihydroxypropyl]oxy}-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-2-yl)amino]-2-fluorophenyl}benzamide, octyl beta-D-glucopyranoside | | Authors: | Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D. | | Deposit date: | 2011-11-30 | | Release date: | 2012-12-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Dibenzosuberones as p38 mitogen-activated protein kinase inhibitors with low ATP competitiveness and outstanding whole blood activity.
J.Med.Chem., 56, 2013
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4ODT
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3V5K
 | | HLA2.1 KVAELVWFL | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HIV-based altered-peptide ligand KVAELVWFL, ... | | Authors: | Collins, E.J, Lee, H.Y. | | Deposit date: | 2011-12-16 | | Release date: | 2012-12-19 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Prediction of Immunogenicity of altered-peptide ligands to HIV bound to MHC
To be Published
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4OUQ
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3V0L
 | | Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with a novel UDP-Gal derived inhibitor (2GW) | | Descriptor: | 5-phenyl-uridine-5'-alpha-d-galactosyl-diphosphate, Histo-blood group ABO system transferase, MANGANESE (II) ION, ... | | Authors: | Palcic, M.M, Jorgensen, R. | | Deposit date: | 2011-12-08 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Base-modified Donor Analogues Reveal Novel Dynamic Features of a Glycosyltransferase.
J.Biol.Chem., 288, 2013
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3V3N
 | | Crystal structure of TetX2 T280A: an adaptive mutant in complex with minocycline | | Descriptor: | (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Walkiewicz, K, Shamoo, Y. | | Deposit date: | 2011-12-13 | | Release date: | 2013-01-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.703 Å) | | Cite: | Crystal structure of TetX2 T280A: an adaptive mutant in complex with minocycline
To be Published
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3V4J
 | | First-In-Class Small Molecule Inhibitors of the Single-strand DNA Cytosine Deaminase APOBEC3G | | Descriptor: | 4-[methyl(nitroso)amino]benzene-1,2-diol, DNA dC->dU-editing enzyme APOBEC-3G, ZINC ION | | Authors: | Shandilya, S.M.D, Ali, A, Schiffer, C.A. | | Deposit date: | 2011-12-15 | | Release date: | 2012-02-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | First-In-Class Small Molecule Inhibitors of the Single-Strand DNA Cytosine Deaminase APOBEC3G.
Acs Chem.Biol., 7, 2012
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3V1N
 | | Crystal Structure of the H265Q mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400, after exposure to its substrate HOPDA | | Descriptor: | (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE, 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, BENZOIC ACID, ... | | Authors: | Ghosh, S, Bolin, J.T. | | Deposit date: | 2011-12-09 | | Release date: | 2012-03-21 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Identification of an Acyl-Enzyme Intermediate in a meta-Cleavage Product Hydrolase Reveals the Versatility of the Catalytic Triad.
J.Am.Chem.Soc., 134, 2012
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4MDC
 | | Crystal structure of glutathione S-transferase from Sinorhizobium meliloti 1021, NYSGRC target 021389 | | Descriptor: | GLYCEROL, Putative glutathione S-transferase | | Authors: | Shabalin, I.G, Bacal, P, Cooper, D.R, Stead, M, Ahmed, M, Hammonds, J, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-08-22 | | Release date: | 2013-09-04 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal structure of glutathione S-transferase from Sinorhizobium meliloti 1021
To be Published
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4POD
 | | Structure of Triosephosphate Isomerase I170V mutant human enzyme. | | Descriptor: | BROMIDE ION, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Amrich, C.G, Aslam, A.A, Heroux, A, VanDemark, A.P. | | Deposit date: | 2014-02-25 | | Release date: | 2015-01-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Triosephosphate isomerase I170V alters catalytic site, enhances stability and induces pathology in a Drosophila model of TPI deficiency.
Biochim.Biophys.Acta, 1852, 2015
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4PRP
 | | Crystal structure of TK3 TCR-HLA-B*35:01-HPVG-Q5 complex | | Descriptor: | Beta-2-microglobulin, Epstein-Barr nuclear antigen 1, MHC class I antigen, ... | | Authors: | Yu Chih, L, Rossjohn, J, Gras, S. | | Deposit date: | 2014-03-06 | | Release date: | 2014-04-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Molecular Basis for the Interplay between T Cells, Viral Mutants, and Human Leukocyte Antigen Micropolymorphism.
J.Biol.Chem., 289, 2014
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3SY6
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4N93
 | | Alternative substrates of Mycobacterium tuberculosis anthranilate phosphoribosyl transferase | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2-amino-6-methylbenzoic acid, Anthranilate phosphoribosyltransferase, ... | | Authors: | Castell, A, Short, F.L, Lott, J.S. | | Deposit date: | 2013-10-19 | | Release date: | 2014-04-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Alternative substrates reveal catalytic cycle and key binding events in the reaction catalysed by anthranilate phosphoribosyltransferase from Mycobacterium tuberculosis.
Biochem.J., 461, 2014
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4PV8
 | | Crystal Structure of H2Kb-Q600F complex | | Descriptor: | ACETATE ION, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | | Authors: | Twist, K.-A, Rossjohn, J, Gras, S. | | Deposit date: | 2014-03-15 | | Release date: | 2014-04-23 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structural and functional correlates of enhanced antiviral immunity generated by heteroclitic CD8 T cell epitopes.
J.Immunol., 192, 2014
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4MU9
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3PRW
 | | Crystal structure of the lipoprotein BamB | | Descriptor: | Lipoprotein yfgL | | Authors: | Heuck, A, Clausen, T. | | Deposit date: | 2010-11-30 | | Release date: | 2011-01-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Augmenting beta-augmentation: structural basis of how BamB binds BamA and may support folding of outer membrane proteins.
J.Mol.Biol., 406, 2011
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4EJL
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4N1C
 | | Structural evidence for antigen receptor evolution | | Descriptor: | Lysozyme C, immunoglobulin variable light chain domain | | Authors: | Langley, D.B, Rouet, R, Roome, B, Stock, D, Christ, D. | | Deposit date: | 2013-10-03 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural reconstruction of protein ancestry.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4RPH
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4N1E
 | | Structural evidence for antigen receptor evolution | | Descriptor: | Lysozyme C, immunoglobulin variable light chain domain | | Authors: | Langley, D.B, Rouet, R, Stock, D, Christ, D. | | Deposit date: | 2013-10-04 | | Release date: | 2014-10-29 | | Last modified: | 2018-04-18 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Structural reconstruction of protein ancestry.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3WZK
 | | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH N-cyclopropyl-4-(8-((thiophen-2-ylmethyl)amino)imidazo[1,2-a]pyrazin-3-yl)benzamide | | Descriptor: | CHLORIDE ION, Dual specificity protein kinase TTK, N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide | | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y. | | Deposit date: | 2014-09-29 | | Release date: | 2015-02-11 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity.
J.Med.Chem., 58, 2015
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4RVT
 | | MAP4K4 in complex with a pyridin-2(1H)-one derivative | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-hexanoyl-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2(1H)-one, Mitogen-activated protein kinase kinase kinase kinase 4 | | Authors: | Richters, A, Becker, C, Kleine, S, Rauh, D. | | Deposit date: | 2014-11-27 | | Release date: | 2015-05-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Neuritogenic Militarinone-Inspired 4-Hydroxypyridones Target the Stress Pathway Kinase MAP4K4.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4MUD
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