6VHI
 
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5WQ7
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3VQE
 | | HIV-1 IN core domain in complex with [1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol | | Descriptor: | CADMIUM ION, CHLORIDE ION, POL polyprotein, ... | | Authors: | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | Deposit date: | 2012-03-21 | | Release date: | 2013-01-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
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5AC7
 | | S. enterica HisA with mutations D7N, D10G, dup13-15 | | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, GLYCEROL, SODIUM ION, ... | | Authors: | Newton, M, Guo, X, Soderholm, A, Nasvall, J, Andersson, D, Patrick, W, Selmer, M. | | Deposit date: | 2015-08-12 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.904 Å) | | Cite: | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3VBY
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6S30
 | | Crystal Structure of Seryl-tRNA Synthetase from Klebsiella pneumoniae | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Serine--tRNA ligase | | Authors: | Pang, L, De Graef, S, Weeks, S.D, Strelkov, S.V. | | Deposit date: | 2019-06-23 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
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3VCO
 | | Schistosoma mansoni Dihydrofolate reductase | | Descriptor: | Dihydrofolate reductase, SULFATE ION | | Authors: | Serrao, V.H.B, Romanello, L, Cassago, A, DeMarco, R, Pereira, H.M. | | Deposit date: | 2012-01-04 | | Release date: | 2013-03-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.946 Å) | | Cite: | Structure and kinetics assays of recombinant Schistosoma mansoni dihydrofolate reductase.
Acta Trop., 170, 2017
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4WH9
 | | Structure of the CDC25B Phosphatase Catalytic Domain with Bound Inhibitor | | Descriptor: | 2-[(2-cyano-3-fluoro-5-hydroxyphenyl)sulfanyl]ethanesulfonic acid, GLYCEROL, M-phase inducer phosphatase 2, ... | | Authors: | Lund, G.L, Dudkin, S, Borkin, D, Ni, W, Grembecka, J, Cierpicki, T. | | Deposit date: | 2014-09-20 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Inhibition of CDC25B Phosphatase Through Disruption of Protein-Protein Interaction.
Acs Chem.Biol., 10, 2015
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4WHG
 | | Crystal Structure of TR3 LBD in complex with Molecule 3 | | Descriptor: | 1-(3,4,5-trihydroxyphenyl)octan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | Authors: | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Wang, Y, Hou, P.P, Wu, Q, Lin, T.W. | | Deposit date: | 2014-09-22 | | Release date: | 2015-09-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
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1N4C
 | | NMR Structure of the J-Domain and Clathrin Substrate Binding Domain of Bovine Auxilin | | Descriptor: | Auxilin | | Authors: | Gruschus, J.M, Han, C.J, Greener, T, Greene, L.E, Ferretti, J.A, Eisenberg, E. | | Deposit date: | 2002-10-30 | | Release date: | 2003-11-11 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of the functional fragment of auxilin required for catalytic uncoating of clathrin-coated vesicles.
Biochemistry, 43, 2004
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3VT5
 | | Crystal structures of rat VDR-LBD with R270L mutation | | Descriptor: | (1R,2E,3R,5Z,7E)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor | | Authors: | Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N. | | Deposit date: | 2012-05-19 | | Release date: | 2013-05-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands.
J.Med.Chem., 56, 2013
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5AKB
 | | MutS in complex with the N-terminal domain of MutL - crystal form 1 | | Descriptor: | DNA MISMATCH REPAIR PROTEIN MUTL, DNA MISMATCH REPAIR PROTEIN MUTS, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Groothuizen, F.S, Winkler, I, Cristovao, M, Fish, A, Winterwerp, H.H.K, Reumer, A, Marx, A.D, Hermans, N, Nicholls, R.A, Murshudov, G.N, Lebbink, J.H.G, Friedhoff, P, Sixma, T.K. | | Deposit date: | 2015-03-03 | | Release date: | 2015-07-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (4.71 Å) | | Cite: | MutS/MutL crystal structure reveals that the MutS sliding clamp loads MutL onto DNA.
Elife, 4, 2015
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3VTB
 | | Crystal structure of rat vitamin D receptor bound to a partial agonist 25-adamantyl-23-yne-19-norvitammin D ADTK1 | | Descriptor: | (1R,3R,7E,17beta)-17-{(2R,6S)-6-hydroxy-6-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor | | Authors: | Nakabayashi, M, Kudo, T, Tokiwa, H, Makishima, M, Yamada, S, Ikura, T, Ito, N. | | Deposit date: | 2012-05-26 | | Release date: | 2013-06-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Combination of Triple Bond and Adamantane Ring on the Vitamin D Side Chain Produced Partial Agonists for Vitamin D Receptor.
J.Med.Chem., 2014
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6S5C
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1N56
 | | Y-family DNA polymerase Dpo4 in complex with DNA containing abasic lesion | | Descriptor: | 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*CP*TP*AP*A)-3', 5'-D(*TP*CP*AP*TP*(3DR)P*AP*GP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3', ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Ling, H, Boudsocq, F, Woodgate, R, Yang, W. | | Deposit date: | 2002-11-04 | | Release date: | 2004-02-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Snapshots of replication through an abasic lesion; structural basis for base substitutions and frameshifts.
Mol.Cell, 13, 2004
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3VFS
 | | crystal structure of HLA B*3508LPEP-P5Ala , peptide mutant P5-ala | | Descriptor: | Beta-2-microglobulin, LPEP peptide from EBV, P5A, ... | | Authors: | Liu, Y.C, Rossjohn, J, Gras, S. | | Deposit date: | 2012-01-10 | | Release date: | 2012-02-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Energetic Basis Underpinning T-cell Receptor Recognition of a Super-bulged Peptide Bound to a Major Histocompatibility Complex Class I Molecule.
J.Biol.Chem., 287, 2012
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3VUB
 | | CCDB, A TOPOISOMERASE POISON FROM E. COLI | | Descriptor: | CCDB, CHLORIDE ION | | Authors: | Loris, R, Dao-Thi, M.-H, Bahasi, E.M, Van Melderen, L, Poortmans, F, Liddington, R, Couturier, M, Wyns, L. | | Deposit date: | 1998-04-17 | | Release date: | 1998-06-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of CcdB, a topoisomerase poison from E. coli.
J.Mol.Biol., 285, 1999
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4WH7
 | | Structure of the CDC25B Phosphatase Catalytic Domain with Bound Ligand | | Descriptor: | 2-fluoro-4-hydroxybenzonitrile, GLYCEROL, M-phase inducer phosphatase 2, ... | | Authors: | Lund, G.L, Dudkin, S, Borkin, D, Ni, W, Grembecka, J, Cierpicki, T. | | Deposit date: | 2014-09-20 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Inhibition of CDC25B Phosphatase Through Disruption of Protein-Protein Interaction.
Acs Chem.Biol., 10, 2015
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2BX5
 | | Is FR1 the antibody's Achillies heel | | Descriptor: | VD9 VKI LIGHT-CHAIN | | Authors: | James, L.C. | | Deposit date: | 2005-07-22 | | Release date: | 2006-11-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Beta-Edge Interactions in a Pentadecameric Human Antibody Vkappa Domain.
J.Mol.Biol., 367, 2007
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1BQU
 | | CYTOKYNE-BINDING REGION OF GP130 | | Descriptor: | GLYCEROL, PROTEIN (GP130), SULFATE ION | | Authors: | Bravo, J, Staunton, D, Heath, J.K, Jones, E.Y. | | Deposit date: | 1998-08-18 | | Release date: | 1998-08-26 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a cytokine-binding region of gp130.
EMBO J., 17, 1998
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4WHK
 | | A New Class of Peptidomimetics Targeting the Polo-box Domain of Polo-like kinase 1 | | Descriptor: | C6H5(CH2)8-DERIVATIZED PEPTIDE INHIBITOR, Serine/threonine-protein kinase PLK1 | | Authors: | Bang, J.K, Han, Y.H, Ahn, M.J, Lee, K.S. | | Deposit date: | 2014-09-23 | | Release date: | 2014-12-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A new class of peptidomimetics targeting the polo-box domain of polo-like kinase 1.
J.Med.Chem., 58, 2015
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5AIT
 | | A complex of of RNF4-RING domain, UbeV2, Ubc13-Ub (isopeptide crosslink) | | Descriptor: | E3 UBIQUITIN-PROTEIN LIGASE RNF4, POLYUBIQUITIN-C, UBIQUITIN-CONJUGATING ENZYME E2 N, ... | | Authors: | Branigan, E, Naismith, J.H. | | Deposit date: | 2015-02-17 | | Release date: | 2015-07-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural Basis for the Ring Catalyzed Synthesis of K63 Linked Ubiquitin Chains
Nat.Struct.Mol.Biol., 22, 2015
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6RQJ
 | | Structure of human complement C5 complexed with tick inhibitors OmCI, RaCI1 and CirpT1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5, Complement inhibitor, ... | | Authors: | Reichhardt, M.P, Johnson, S, Lea, S.M. | | Deposit date: | 2019-05-15 | | Release date: | 2020-01-08 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | An inhibitor of complement C5 provides structural insights into activation.
Proc.Natl.Acad.Sci.USA, 117, 2020
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4WIN
 | | Crystal structure of the GATase domain from Plasmodium falciparum GMP synthetase | | Descriptor: | GMP synthetase, NITRATE ION | | Authors: | Ballut, L, Violot, S, Haser, R, Aghajari, N. | | Deposit date: | 2014-09-26 | | Release date: | 2015-12-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Active site coupling in Plasmodium falciparum GMP synthetase is triggered by domain rotation.
Nat Commun, 6, 2015
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4WFU
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