3GRT
 
 | | HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, OXIDIZED TRYPANOTHIONE COMPLEX | | Descriptor: | 2-AMINO-4-[4-(4-AMINO-4-CARBOXY-BUTYRYLAMINO)-5,8,19,22-TETRAOXO-1,2-DITHIA-6,9,13,18,21-PENTAAZA-CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE | | Authors: | Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F. | | Deposit date: | 1997-02-12 | | Release date: | 1997-08-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
|
|
3GZT
 | | VP7 recoated rotavirus DLP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Outer capsid glycoprotein VP7 | | Authors: | Chen, J.Z, Settembre, E.C, Harrison, S.C, Grigorieff, N. | | Deposit date: | 2009-04-07 | | Release date: | 2009-07-14 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Molecular interactions in rotavirus assembly and uncoating seen by high-resolution cryo-EM
Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
2CM4
 | | The complement inhibitor OmCI in complex with ricinoleic acid | | Descriptor: | ACETATE ION, COMPLEMENT INHIBITOR, RICINOLEIC ACID | | Authors: | Roversi, P, Johnson, S, Lissina, O, Paesen, G.C, Boland, W, Nunn, M.A, Lea, S.M. | | Deposit date: | 2006-05-04 | | Release date: | 2007-05-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Structure of Omci, a Novel Lipocalin Inhibitor of the Complement System.
J.Mol.Biol., 369, 2007
|
|
3DRT
 | | Crystal structure of the HIV-1 broadly neutralizing antibody 2F5 in complex with the gp41 scrambledFP-MPER scrHyb3K construct GIGAFGLLGFLAAGSKK-Ahx-K656NEQELLELDKWASLWN671 | | Descriptor: | 2F5 Fab' heavy chain, 2F5 Fab' light chain, GLYCEROL, ... | | Authors: | Julien, J.-P, Bryson, S, de la Torre, B.G, Andreu, D, Nieva, J.L, Pai, E.F. | | Deposit date: | 2008-07-11 | | Release date: | 2009-06-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural constraints imposed by the conserved fusion peptide on the HIV-1 gp41 epitope recognized by the broadly neutralizing antibody 2F5.
J.Phys.Chem.B, 113, 2009
|
|
2CM9
 | | The complement inhibitor OmCI in complex with ricinoleic acid | | Descriptor: | ACETATE ION, COMPLEMENT INHIBITOR, RICINOLEIC ACID | | Authors: | Roversi, P, Johnson, S, Lissina, O, Paesen, G.C, Boland, W, Nunn, M.A, Lea, S.M. | | Deposit date: | 2006-05-04 | | Release date: | 2007-05-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Structure of Omci, a Novel Lipocalin Inhibitor of the Complement System.
J.Mol.Biol., 369, 2007
|
|
5UGP
 | | DNA polymerase beta complex with a 1nt gap and dCMPPNP | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]cytidine, DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), ... | | Authors: | Freudenthal, B.D, Wilson, S.H, Beard, W.A. | | Deposit date: | 2017-01-09 | | Release date: | 2017-07-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.955 Å) | | Cite: | Modulating the DNA polymerase beta reaction equilibrium to dissect the reverse reaction.
Nat. Chem. Biol., 13, 2017
|
|
4PVL
 | | X-ray structure of human transthyretin (TTR) at room temperature to 1.9A resolution | | Descriptor: | Transthyretin | | Authors: | Fisher, S.J, Blakeley, M.P, Haupt, M, Mason, S.A, Cooper, J.B, Mitchell, E.P, Forsyth, V.T. | | Deposit date: | 2014-03-18 | | Release date: | 2014-11-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | Binding site asymmetry in human transthyretin: insights from a joint neutron and X-ray crystallographic analysis using perdeuterated protein
IUCrJ, 1, 2014
|
|
4DB5
 | | Crystal structure of Rabbit GITRL | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tumor necrosis factor ligand superfamily member 18 | | Authors: | Kumar, P.R, Bhosle, R, Gizzi, A, Scott Glenn, A, Chowhury, S, Hillerich, B, Seidel, R, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | | Deposit date: | 2012-01-13 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.522 Å) | | Cite: | Crystal structure of GITRL from Oryctolagus cuniculus
to be published
|
|
5UGN
 | | DNA polymerase beta imidodiphosphate reactant complex | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]cytidine, DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3'), ... | | Authors: | Freudenthal, B.D, Wilson, S.H, Beard, W.A. | | Deposit date: | 2017-01-09 | | Release date: | 2017-07-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Modulating the DNA polymerase beta reaction equilibrium to dissect the reverse reaction.
Nat. Chem. Biol., 13, 2017
|
|
3FC0
 | | 1.8 A crystal structure of murine GITR ligand dimer expressed in Drosophila melanogaster S2 cells | | Descriptor: | ACETATE ION, GITR ligand | | Authors: | Chattopadhyay, K, Ramagopal, U.A, Nathenson, S.G, Almo, S.C. | | Deposit date: | 2008-11-20 | | Release date: | 2008-12-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | 1.8 A structure of murine GITR ligand dimer expressed in Drosophila melanogaster S2 cells.
Acta Crystallogr.,Sect.D, 65, 2009
|
|
3EGS
 | | Crystal structure of the HIV-1 broadly neutralizing antibody 2F5 in complex with the gp41 scrambledFP-MPER scrHyb3K construct GIGAFGLLGFLAAGSKK-Ahx-K656NEQELLELDKWASLWN671 soaked in ammonium sulfate | | Descriptor: | 2F5 Fab' heavy chain, 2F5 Fab' light chain, gp41 scrFP-MPER construct | | Authors: | Julien, J.-P, Bryson, S, de la Torre, B.G, Andreu, D, Nieva, J.L, Pai, E.F. | | Deposit date: | 2008-09-11 | | Release date: | 2009-08-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structural constraints imposed by the conserved fusion peptide on the HIV-1 gp41 epitope recognized by the broadly neutralizing antibody 2F5.
J.Phys.Chem.B, 113, 2009
|
|
3U97
 | |
4IRX
 | | Crystal structure of Caulobacter myo-inositol binding protein bound to myo-inositol | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, Sugar ABC transporter, periplasmic sugar-binding protein | | Authors: | Herrou, J, Crosson, S. | | Deposit date: | 2013-01-15 | | Release date: | 2013-03-20 | | Last modified: | 2016-03-30 | | Method: | X-RAY DIFFRACTION (1.451 Å) | | Cite: | myo-inositol and D-ribose ligand discrimination in an ABC periplasmic binding protein.
J.Bacteriol., 195, 2013
|
|
3NO9
 | | Crystal Structure of apo fumarate hydratase from Mycobacterium tuberculosis | | Descriptor: | Fumarate hydratase class II | | Authors: | Li, H, Swanson, S, Yu, M, Hung, L.-W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2010-06-25 | | Release date: | 2010-07-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Crystal Structure of apo fumarate hydratase from Mycobacterium tuberculosis
To be Published
|
|
4Z6B
 | | YopH W354H Yersinia enterocolitica PTPase in the apo form | | Descriptor: | ACETATE ION, GLYCEROL, Tyrosine-protein phosphatase YopH | | Authors: | Moise, G.E, Johnson, S.J, Hengge, A.C. | | Deposit date: | 2015-04-04 | | Release date: | 2015-10-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Conservative Tryptophan Mutants of the Protein Tyrosine Phosphatase YopH Exhibit Impaired WPD-Loop Function and Crystallize with Divanadate Esters in Their Active Sites.
Biochemistry, 54, 2015
|
|
4ZN5
 | | YopH W354Y Yersinia enterocolitica PTPase bond with Divanadate glycerol ester in the active site | | Descriptor: | ACETATE ION, Divanadate Glycerol ester, GLYCEROL, ... | | Authors: | Moise, G.E, Johnson, S.J, Hengge, A.C. | | Deposit date: | 2015-05-04 | | Release date: | 2015-10-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Conservative Tryptophan Mutants of the Protein Tyrosine Phosphatase YopH Exhibit Impaired WPD-Loop Function and Crystallize with Divanadate Esters in Their Active Sites.
Biochemistry, 54, 2015
|
|
5AQL
 | | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, GLYCEROL, ... | | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | | Deposit date: | 2015-09-22 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
|
|
5AQS
 | | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | | Descriptor: | BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, GLYCEROL, HEAT SHOCK COGNATE 71 KDA PROTEIN, ... | | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | | Deposit date: | 2015-09-22 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
|
|
4NEV
 | | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor EP127 (5-{5-[1-(PYRROLIDIN-1-YL)CYCLOHEXYL]-1,3-THIAZOL-2-YL}-1H-INDOLE) | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Persch, E, Bryson, S, Pai, E.F, Krauth-Siegel, R.L, Diederich, F. | | Deposit date: | 2013-10-30 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase.
Chemmedchem, 9, 2014
|
|
3Q0H
 | | Structure of T-cell immunoreceptor with immunoglobulin and ITIM domains (TIGIT) | | Descriptor: | T cell immunoreceptor with Ig and ITIM domains | | Authors: | Ramagopal, U.A, Guo, H, Samanta, D, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2010-12-15 | | Release date: | 2011-02-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of T-cell immunoreceptor with immunoglobulin and ITIM domains (TIGIT)
To be published
|
|
1CT2
 | | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-THR18I IN COMPLEX WITH SGPB | | Descriptor: | OVOMUCOID INHIBITOR, PROTEINASE B | | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N. | | Deposit date: | 1999-08-18 | | Release date: | 2000-01-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB.
Protein Sci., 9, 2000
|
|
1CT4
 | | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-VAL18I IN COMPLEX WITH SGPB | | Descriptor: | OVOMUCOID INHIBITOR, PROTEINASE B | | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 1999-08-18 | | Release date: | 2000-01-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB.
Protein Sci., 9, 2000
|
|
2RAJ
 | | SO4 bound PX-BAR membrane remodeling unit of Sorting Nexin 9 | | Descriptor: | SULFATE ION, Sorting nexin-9 | | Authors: | Pylypenko, O, Lundmark, R, Rasmuson, E, Carlsson, S.R, Rak, A. | | Deposit date: | 2007-09-16 | | Release date: | 2007-12-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | The PX-BAR membrane-remodeling unit of sorting nexin 9
Embo J., 26, 2007
|
|
3IDM
 | |
4N27
 | | X-ray structure of Brucella abortus RicA | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Bacterial transferase hexapeptide repeat, ZINC ION | | Authors: | Herrou, J, Crosson, S. | | Deposit date: | 2013-10-04 | | Release date: | 2013-12-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Molecular Structure of the Brucella abortus Metalloprotein RicA, a Rab2-Binding Virulence Effector.
Biochemistry, 52, 2013
|
|
