3KLG
| Crystal structure of AZT-resistant HIV-1 Reverse Transcriptase crosslinked to pre-translocation AZTMP-Terminated DNA (COMPLEX N) | Descriptor: | DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*AP*(ATM))-3'), DNA (5'-D(*AP*T*GP*CP*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), Reverse transcriptase/ribonuclease H, ... | Authors: | Tu, X, Sarafianos, S.G, Arnold, E. | Deposit date: | 2009-11-07 | Release date: | 2010-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | Structural basis of HIV-1 resistance to AZT by excision. Nat.Struct.Mol.Biol., 17, 2010
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3KLH
| Crystal structure of AZT-Resistant HIV-1 Reverse Transcriptase crosslinked to post-translocation AZTMP-Terminated DNA (COMPLEX P) | Descriptor: | DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*T*GP*CP*TP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), MAGNESIUM ION, ... | Authors: | Tu, X, Sarafianos, S.G, Arnold, E. | Deposit date: | 2009-11-07 | Release date: | 2010-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of HIV-1 resistance to AZT by excision. Nat.Struct.Mol.Biol., 17, 2010
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6FKG
| Crystal structure of the M.tuberculosis MbcT-MbcA toxin-antitoxin complex. | Descriptor: | GLYCEROL, Rv1989c (MbcT), Rv1990c (MbcA) | Authors: | Freire, D.M, Cianci, M, Pogenberg, V, Schneider, T.R, Wilmanns, M, Parret, A.H.A. | Deposit date: | 2018-01-24 | Release date: | 2019-02-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An NAD+Phosphorylase Toxin Triggers Mycobacterium tuberculosis Cell Death. Mol.Cell, 73, 2019
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6GB6
| Structure of H-2Kb with dipeptide GL | Descriptor: | Beta-2-microglobulin, GLYCEROL, GLYCINE, ... | Authors: | Hafstrand, I, Sandalova, T, Achour, A. | Deposit date: | 2018-04-13 | Release date: | 2019-03-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Successive crystal structure snapshots suggest the basis for MHC class I peptide loading and editing by tapasin. Proc.Natl.Acad.Sci.USA, 116, 2019
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3KYD
| Human SUMO E1~SUMO1-AMP tetrahedral intermediate mimic | Descriptor: | 1,2-ETHANEDIOL, 5'-{[(3-aminopropyl)sulfonyl]amino}-5'-deoxyadenosine, SUMO-activating enzyme subunit 1, ... | Authors: | Lima, C.D. | Deposit date: | 2009-12-05 | Release date: | 2010-02-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Active site remodelling accompanies thioester bond formation in the SUMO E1. Nature, 463, 2010
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5N1V
| Crystal structure of the protein kinase CK2 catalytic subunit in complex with pyrazolo-pyrimidine macrocyclic ligand | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | Deposit date: | 2017-02-06 | Release date: | 2017-05-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors. J. Med. Chem., 60, 2017
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6GB5
| Structure of H-2Db with truncated SEV peptide and GL | Descriptor: | Beta-2-microglobulin, GLY-LEU, GLYCEROL, ... | Authors: | Hafstrand, I, Sandalova, T, Achour, A. | Deposit date: | 2018-04-13 | Release date: | 2019-03-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Successive crystal structure snapshots suggest the basis for MHC class I peptide loading and editing by tapasin. Proc.Natl.Acad.Sci.USA, 116, 2019
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3HTW
| Organophosphorus hydrolase from Deinococcus radiodurans with cacodylate bound | Descriptor: | CACODYLATE ION, COBALT (II) ION, MAGNESIUM ION, ... | Authors: | Hawwa, R, Larsen, S, Ratia, K, Mesecar, A. | Deposit date: | 2009-06-12 | Release date: | 2009-06-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans. J.Mol.Biol., 393, 2009
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5MEV
| MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 21 | Descriptor: | (5~{R},13~{S},17~{S})-5-[(3,4-dichlorophenyl)methyl]-8-methyl-13-[(4-methylsulfonylphenyl)methyl]-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20,22,24-triene-3,7,15,26-tetrone, Fab Heavy Chain, Fab Light Chain, ... | Authors: | Hargreaves, D. | Deposit date: | 2016-11-16 | Release date: | 2017-01-18 | Last modified: | 2017-03-08 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors Acs Med.Chem.Lett., 8, 2017
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5H35
| Crystal structures of the TRIC trimeric intracellular cation channel orthologue from Sulfolobus solfataricus | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Fab Heavy Chain, Fab Light Chain, ... | Authors: | Kasuya, G, Hiraizumi, M, Hattori, M, Nureki, O. | Deposit date: | 2016-10-20 | Release date: | 2017-01-11 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (2.642 Å) | Cite: | Crystal structures of the TRIC trimeric intracellular cation channel orthologues Cell Res., 26, 2016
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5N20
| Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | Descriptor: | B-cell lymphoma 6 protein, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{R})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | Deposit date: | 2017-02-06 | Release date: | 2017-05-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors. J. Med. Chem., 60, 2017
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3HWN
| CATHEPSIN L with AZ13010160 | Descriptor: | Cathepsin L1, Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2E)-2-iminoethyl]-3-{5-[(Z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-L-phenylalaninamide | Authors: | Kenny, P, Morley, A. | Deposit date: | 2009-06-18 | Release date: | 2009-09-15 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Design of selective Cathepsin inhibitors Bioorg.Med.Chem.Lett., 19, 2009
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5EIQ
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6GRC
| eukaryotic junction-resolving enzyme GEN-1 binding with Sodium | Descriptor: | DNA (5'-D(*TP*AP*CP*CP*CP*AP*CP*CP*AP*CP*CP*GP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*GP*AP*GP*CP*GP*GP*TP*GP*GP*TP*TP*GP*GP*T)-3'), MAGNESIUM ION, ... | Authors: | Lilley, D.M.J, Liu, Y, Freeman, D.J. | Deposit date: | 2018-06-11 | Release date: | 2018-09-26 | Last modified: | 2019-02-13 | Method: | X-RAY DIFFRACTION (2.452 Å) | Cite: | A monovalent ion in the DNA binding interface of the eukaryotic junction-resolving enzyme GEN1. Nucleic Acids Res., 46, 2018
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5EIV
| Crystal structure of complex of osteoclast-associated immunoglobulin-like receptor (OSCAR) and a synthetic collagen consensus peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CHLORIDE ION, ... | Authors: | Zhou, L, Blaszczyk, M, Chirgadze, D, Bihan, D, Farndale, R.W. | Deposit date: | 2015-10-30 | Release date: | 2015-11-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.414 Å) | Cite: | Structural basis for collagen recognition by the immune receptor OSCAR. Blood, 127, 2016
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6G9R
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5LIO
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5LIW
| Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK319 | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A. | Deposit date: | 2016-07-15 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors. Acs Chem.Biol., 11, 2016
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6GB7
| Structure of H-2Db with scoop loop from tapasin | Descriptor: | Beta-2-microglobulin, GLY-GLY-LEU-SER, GLYCEROL, ... | Authors: | Hafstrand, I, Sandalova, T, Achour, A. | Deposit date: | 2018-04-13 | Release date: | 2019-03-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Successive crystal structure snapshots suggest the basis for MHC class I peptide loading and editing by tapasin. Proc.Natl.Acad.Sci.USA, 116, 2019
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6GRD
| eukaryotic junction-resolving enzyme GEN-1 binding with Cesium | Descriptor: | CESIUM ION, DNA (5'-D(*TP*AP*CP*CP*CP*AP*CP*CP*AP*CP*CP*GP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*GP*AP*GP*CP*GP*GP*TP*GP*GP*TP*TP*GP*GP*T)-3'), ... | Authors: | Lilley, D.M.J, Liu, Y, Freeman, D.J. | Deposit date: | 2018-06-11 | Release date: | 2018-09-26 | Last modified: | 2018-11-28 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | A monovalent ion in the DNA binding interface of the eukaryotic junction-resolving enzyme GEN1. Nucleic Acids Res., 46, 2018
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5NVG
| Thr12 Phosphorylated Ubiquitin | Descriptor: | DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, Polyubiquitin-B | Authors: | Huguenin-Dezot, N. | Deposit date: | 2017-05-04 | Release date: | 2017-05-31 | Last modified: | 2017-09-13 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Biosynthesis and genetic encoding of phosphothreonine through parallel selection and deep sequencing. Nat. Methods, 14, 2017
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1XWW
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5FUC
| Biophysical and cellular characterisation of a junctional epitope antibody that locks IL-6 and gp80 together in a stable complex: implications for new therapeutic strategies | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, INTERLEUKIN-6, INTERLEUKIN-6 RECEPTOR SUBUNIT ALPHA, ... | Authors: | Adams, R, Griffin, R, Doyle, C, Ettorre, A. | Deposit date: | 2016-01-25 | Release date: | 2017-01-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of a junctional epitope antibody that stabilizes IL-6 and gp80 protein:protein interaction and modulates its downstream signaling. Sci Rep, 7, 2017
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6G9Q
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3LLE
| X-ray structure of bovine SC0322,Ca(2+)-S100B | Descriptor: | 13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine, CALCIUM ION, Protein S100-B | Authors: | Charpentier, T.H, Weber, D.J, Wilder, P.W. | Deposit date: | 2010-01-28 | Release date: | 2010-12-29 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | In vitro screening and structural characterization of inhibitors of the S100B-p53 interaction. Int.J.High Throughput Screen, 2010, 2010
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