4UV4
 
 | | Crystal structure of anti-FPR Fpro0165 Fab fragment | | Descriptor: | FPRO0165 FAB | | Authors: | Douthwaite, J.A, Sridharan, S, Huntington, C, Marwood, R, Hammersley, J, Hakulinen, J.K, Ek, M, Sjogren, T, Rider, D, Privezentzev, C, Seaman, J.C, Cariuk, P, Knights, V, Young, J, Wilkinson, T, Sleeman, M, Finch, D.K, Lowe, D.C, Vaughan, T.J. | | Deposit date: | 2014-08-04 | | Release date: | 2014-12-24 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | Affinity Maturation of a Novel Antagonistic Human Monoclonal Antibody with a Long Vh Cdr3 Targeting the Class a Gpcr Formyl-Peptide Receptor 1.
Mabs, 7, 2015
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4W8E
 | | Structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06645342) | | Descriptor: | 3-{4-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Serine/threonine-protein kinase 24 36 kDa subunit | | Authors: | Jasti, J, Song, X, Griffor, M, Kurumbail, R.G. | | Deposit date: | 2014-08-24 | | Release date: | 2015-03-18 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor.
J.Med.Chem., 58, 2015
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6W47
 | | Peptoid-Containing Collagen Peptide | | Descriptor: | 1,2-ETHANEDIOL, Collagen-like peptide | | Authors: | Chenoweth, D.M, Melton, S.D. | | Deposit date: | 2020-03-10 | | Release date: | 2020-08-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Rules for the design of aza-glycine stabilized triple-helical collagen peptides.
Chem Sci, 11, 2020
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4UW4
 | | Human galectin-7 in complex with a galactose based dendron D2-1. | | Descriptor: | DENDRON D2-1, GALECTIN-7 | | Authors: | Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R. | | Deposit date: | 2014-08-08 | | Release date: | 2014-11-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.766 Å) | | Cite: | Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
FEBS J., 282, 2015
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1KGC
 | | Immune Receptor | | Descriptor: | T-cell receptor alpha chain, T-cell receptor beta chain | | Authors: | Kjer-Nielsen, L, Clements, C.S, Brooks, A.G, Purcell, A.W, McCluskey, J, Rossjohn, J. | | Deposit date: | 2001-11-26 | | Release date: | 2002-12-11 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The 1.5 A crystal structure of a highly selected antiviral T cell receptor provides evidence for a structural basis of immunodominance
STRUCTURE, 10, 2002
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4V1S
 | | Structure of the GH76 alpha-mannanase BT2949 from Bacteroides thetaiotaomicron | | Descriptor: | ALPHA-1,6-MANNANASE, GLYCEROL | | Authors: | Thompson, A.J, Cuskin, F, Spears, R.J, Dabin, J, Turkenburg, J.P, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2014-10-02 | | Release date: | 2015-02-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of the Gh76 Alpha-Mannanase Homolog, Bt2949, from the Gut Symbiont Bacteroides Thetaiotaomicron
Acta Crystallogr.,Sect.D, 71, 2015
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4W8T
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4USM
 | | WcbL complex with glycerol bound to sugar site | | Descriptor: | CHLORIDE ION, GLYCEROL, PUTATIVE SUGAR KINASE | | Authors: | Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J. | | Deposit date: | 2014-07-10 | | Release date: | 2016-01-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery.
Chem.Biol., 22, 2015
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4US6
 | | New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels | | Descriptor: | CALCIUM ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Gavira, J.A, Conejero-Muriel, M, Diaz-Mochon, J.J, Alvarez de Cienfuegos, L. | | Deposit date: | 2014-07-03 | | Release date: | 2015-05-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Influence of the Chirality of Short Peptide Supramolecular Hydrogels in Protein Crystallogenesis.
Chem.Commun.(Camb.), 51, 2015
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4URJ
 | | Crystal structure of human BJ-TSA-9 | | Descriptor: | 1,2-ETHANEDIOL, PROTEIN FAM83A | | Authors: | Pinkas, D.M, Sanvitale, C, Wang, D, Krojer, T, Kopec, J, Chaikuad, A, Dixon Clarke, S, Berridge, G, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Bullock, A. | | Deposit date: | 2014-06-30 | | Release date: | 2014-10-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Crystal Structure of Human Bj-Tsa-9
To be Published
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5V4T
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4V2O
 | | Structure of saposin B in complex with chloroquine | | Descriptor: | N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE, SAPOSIN-B | | Authors: | Zubieta, C, Lai, X, Doyle, R.P. | | Deposit date: | 2014-10-13 | | Release date: | 2015-12-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | The Lysosomal Protein Saposin B Binds Chloroquine.
Chemmedchem, 11, 2016
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4W8P
 | | Crystal structure of RIAM TBS1 in complex with talin R7R8 domains | | Descriptor: | 1,2-ETHANEDIOL, Amyloid beta A4 precursor protein-binding family B member 1-interacting protein, Talin-1 | | Authors: | Chang, Y.C.E, Zhang, H, Wu, J. | | Deposit date: | 2014-08-25 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and Mechanistic Insights into the Recruitment of Talin by RIAM in Integrin Signaling.
Structure, 22, 2014
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8VPN
 | | Phosphorylated human NCC in complex with indapamide | | Descriptor: | 4-chloro-N-[(2S)-2-methyl-2,3-dihydro-1H-indol-1-yl]-3-sulfamoylbenzamide, ADENOSINE-5'-TRIPHOSPHATE, Solute carrier family 12 member 3 | | Authors: | Zhao, Y.X, Cao, E.H. | | Deposit date: | 2024-01-16 | | Release date: | 2024-09-04 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural bases for Na + -Cl - cotransporter inhibition by thiazide diuretic drugs and activation by kinases.
Nat Commun, 15, 2024
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4V0I
 | | Water Network Determines Selectivity for a Series of Pyrimidone Indoline Amide PI3KBeta Inhibitors over PI3K-Delta | | Descriptor: | 2-[2-(2-METHYL-2,3-DIHYDRO-INDOL-1-YL)-2-OXO-ETHYL]-6-MORPHOLIN-4-YL-3H-PYRIMIDIN-4-ONE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | | Authors: | Robinson, D, Bertrand, T, Carry, J.C, Halley, F, Karlsson, A, Mathieu, M, Minoux, H, Perrin, M.A, Robert, B, Schio, L, Sherman, W. | | Deposit date: | 2014-09-16 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Differential Water Thermodynamics Determine Pi3K-Beta/Delta Selectivity for Solvent-Exposed Ligand Modifications.
J.Chem.Inf.Model., 56, 2016
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5VH3
 | | Crystal structure of Fab fragment of the anti-TNFa antibody infliximab in a C-centered orthorhombic crystal form | | Descriptor: | 1,2-ETHANEDIOL, Infliximab Fab Heavy Chain, Infliximab Fab Light Chain | | Authors: | Mayclin, S.J, Edwards, T.E, Lerch, T.F, Conlan, H, Sharpe, P. | | Deposit date: | 2017-04-12 | | Release date: | 2017-05-03 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Infliximab crystal structures reveal insights into self-association.
MAbs, 9, 2017
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5VH4
 | | Crystal structure of Fab fragment of anti-TNFa antibody infliximab in an I-centered orthorhombic crystal form | | Descriptor: | 1,2-ETHANEDIOL, Infliximab Fab Heavy Chain, Infliximab Fab Light Chain, ... | | Authors: | Mayclin, S.J, Edwards, T.E, Lerch, T.F, Conlan, H, Sharpe, P. | | Deposit date: | 2017-04-12 | | Release date: | 2017-05-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Infliximab crystal structures reveal insights into self-association.
MAbs, 9, 2017
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4V05
 | | FGFR1 in complex with AZD4547. | | Descriptor: | 1,2-ETHANEDIOL, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, PFEIFFER SYNDROME), ... | | Authors: | Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A. | | Deposit date: | 2014-09-10 | | Release date: | 2014-12-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4
Structure, 22, 2014
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4WCJ
 | | Structure of IcaB from Ammonifex degensii | | Descriptor: | CHLORIDE ION, Polysaccharide deacetylase, ZINC ION | | Authors: | Little, D.J, Bamford, N.C, Pokrovskaya, V, Robinson, H, Nitz, M, Howell, P.L. | | Deposit date: | 2014-09-04 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis for the De-N-acetylation of Poly-beta-1,6-N-acetyl-d-glucosamine in Gram-positive Bacteria.
J.Biol.Chem., 289, 2014
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1KEW
 | | The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Salmonella enterica serovar Typhimurium with thymidine diphosphate bound | | Descriptor: | GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, THYMIDINE-5'-DIPHOSPHATE, ... | | Authors: | Allard, S.T.M, Beis, K, Giraud, M.-F, Hegeman, A.D, Gross, J.W, Whitfield, C, Graninger, M, Messner, P, Allen, A.G, Naismith, J.H. | | Deposit date: | 2001-11-17 | | Release date: | 2002-01-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Toward a structural understanding of the dehydratase mechanism.
Structure, 10, 2002
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8VTH
 | | DUF2169 domain-containing protein from Vibrio xiamenensis | | Descriptor: | 1,2-ETHANEDIOL, DUF2169 domain-containing protein | | Authors: | Sachar, K, Whitney, J.C, Prehna, G, Kim, Y. | | Deposit date: | 2024-01-26 | | Release date: | 2025-02-12 | | Last modified: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A conserved chaperone protein is required for the formation of a noncanonical type VI secretion system spike tip complex.
J.Biol.Chem., 301, 2025
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8VGS
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6CUH
 | | Crystal structure of the unliganded BC8B TCR | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Shahine, A.E, Rossjohn, J. | | Deposit date: | 2018-03-26 | | Release date: | 2019-01-16 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | A T-cell receptor escape channel allows broad T-cell response to CD1b and membrane phospholipids.
Nat Commun, 10, 2019
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5UZL
 | | Brassica napus DGAT1 exosite | | Descriptor: | O-acyltransferase | | Authors: | Acedo, J.Z, Vederas, J.C. | | Deposit date: | 2017-02-26 | | Release date: | 2018-01-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Diacylglycerol Acyltransferase 1 Is Regulated by Its N-Terminal Domain in Response to Allosteric Effectors.
Plant Physiol., 175, 2017
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9C9K
 | | Anti-OspA Fab 319-33 | | Descriptor: | 1,2-ETHANEDIOL, 319-33 monoclonal Fab Heavy Chain, 319-33 monoclonal Fab Light Chain, ... | | Authors: | Rudolph, M.J, Mantis, N. | | Deposit date: | 2024-06-14 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Anti-OspA Fab 319-33
To Be Published
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