2RGL
 
 | | Rice BGlu1 beta-glucosidase, a plant exoglucanase/beta-glucosidase | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase, GLYCEROL, ... | | Authors: | Chuenchor, W, Ketudat Cairns, J.R, Pengthaisong, S, Robinson, R.C, Yuvaniyama, J, Chen, C.-J. | | Deposit date: | 2007-10-04 | | Release date: | 2008-02-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Insights into Rice BGlu1 beta-Glucosidase Oligosaccharide Hydrolysis and Transglycosylation
J.Mol.Biol., 377, 2008
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3IDI
 | | Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 Fab' fragment in complex with gp41 Peptide ALDKWNQ | | Descriptor: | 2F5 Fab heavy chain, 2F5 Fab light chain, GLYCEROL, ... | | Authors: | Julien, J.-P, Bryson, S, Pai, E.F. | | Deposit date: | 2009-07-21 | | Release date: | 2010-03-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystallographic definition of the epitope promiscuity of the broadly neutralizing anti-human immunodeficiency virus type 1 antibody 2F5: vaccine design implications.
J.Virol., 83, 2009
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2B7D
 | | Factor VIIa Inhibitors: Chemical Optimization, Preclinical Pharmacokinetics, Pharmacodynamics, and Efficacy in a Baboon Thrombosis Model | | Descriptor: | (2R)-2-[5-(5-CARBAMIMIDOYL-1H-BENZOIMIDAZOL-2-YL)-6,2'-DIHYDROXY-5'-UREIDOMETHYL-BIPHENYL-3-YL]-SUCCINIC ACID, Coagulation factor VII, Tissue factor | | Authors: | Young, W.B, Mordenti, J, Torkelson, S, Shrader, W.D, Kolesnikov, A, Rai, R, Liu, L, Hu, H, Leahy, E.M, Green, M.J, Sprengeler, P.A, Katz, B.A, Yu, C, Janc, J.W, Elrod, K.C, Marzec, U.M, Hanson, S.R. | | Deposit date: | 2005-10-04 | | Release date: | 2006-02-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Factor VIIa inhibitors: Chemical optimization, preclinical pharmacokinetics, pharmacodynamics, and efficacy in an arterial baboon thrombosis model.
Bioorg.Med.Chem.Lett., 16, 2006
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1WM0
 | | PPARgamma in complex with a 2-BABA compound | | Descriptor: | 14-mer from Nuclear receptor coactivator 2, 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID, Peroxisome proliferator activated receptor gamma | | Authors: | Ostberg, T, Svensson, S, Selen, G, Uppenberg, J, Thor, M, Sundbom, M, Sydow-Backman, M, Gustavsson, A.L, Jendeberg, L. | | Deposit date: | 2004-07-01 | | Release date: | 2004-09-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A new class of peroxisome proliferator-activated receptor agonists with a novel binding epitope shows antidiabetic effects
J.Biol.Chem., 279, 2004
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4NEW
 | | Crystal structure of Trypanothione Reductase from Trypanosoma cruzi in complex with inhibitor EP127 (5-{5-[1-(PYRROLIDIN-1-YL)CYCLOHEXYL]-1,3-THIAZOL-2-YL}-1H-INDOLE) | | Descriptor: | 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, Trypanothione reductase, ... | | 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 (2.8 Å) | | Cite: | Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase.
Chemmedchem, 9, 2014
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5AQW
 | | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | | Descriptor: | (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 1,2-ETHANEDIOL, ... | | 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 (1.53 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
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5AQM
 | | 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 (1.63 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
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2RGM
 | | Rice BGlu1 beta-glucosidase, a plant exoglucanase/beta-glucosidase | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-deoxy-2-fluoro-alpha-D-glucopyranose, Beta-glucosidase, ... | | Authors: | Chuenchor, W, Ketudat Cairns, J.R, Pengthaisong, S, Robinson, R.C, Yuvaniyama, J, Chen, C.-J. | | Deposit date: | 2007-10-04 | | Release date: | 2008-02-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural Insights into Rice BGlu1 beta-Glucosidase Oligosaccharide Hydrolysis and Transglycosylation
J.Mol.Biol., 377, 2008
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4MSV
 | | Crystal structure of FASL and DcR3 complex | | Descriptor: | GLYCEROL, MAGNESIUM ION, Tumor necrosis factor ligand superfamily member 6, ... | | Authors: | Liu, W, Ramagopal, U.A, Zhan, C, Bonanno, J.B, Bhosle, R.C, Nathenson, S.G, Almo, S.C, Atoms-to-Animals: The Immune Function Network (IFN), New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-09-18 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of the Complex of Human FasL and Its Decoy Receptor DcR3.
Structure, 24, 2016
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3QKP
 | | Protein Tyrosine Phosphatase 1B - Apo W179F mutant with open WPD-loop | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Brandao, T.A.S, Johnson, S.J, Hengge, A.C. | | Deposit date: | 2011-02-01 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The molecular details of WPD-loop movement differ in the protein-tyrosine phosphatases YopH and PTP1B.
Arch.Biochem.Biophys., 525, 2012
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2BNA
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2OMB
 | | Bence Jones KWR Protein- Immunoglobulin Light Chain Dimer, P3(1)21 Crystal Form | | Descriptor: | Bence Jones KWR Protein - Immunoglobulin Light Chain, PHENOL, SULFATE ION | | Authors: | Makino, D.L, Larson, S.B, McPherson, A. | | Deposit date: | 2007-01-21 | | Release date: | 2007-07-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Bence Jones KWR protein structures determined by X-ray crystallography.
Acta Crystallogr.,Sect.D, 63, 2007
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2OMN
 | | Bence Jones KWR Protein- Immunoglobulin Light Chain Dimer, P4(3)2(1)2 Crystal Form | | Descriptor: | Bence Jones KWR Protein - Immunoglobulin Light Chain, PHENOL, SULFATE ION | | Authors: | Makino, D.L, Larson, S.B, McPherson, A. | | Deposit date: | 2007-01-22 | | Release date: | 2007-07-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Bence Jones KWR protein structures determined by X-ray crystallography.
Acta Crystallogr.,Sect.D, 63, 2007
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1DK3
 | | REFINED SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF DNA POLYMERASE BETA | | Descriptor: | DNA POLYMERASE BETA | | Authors: | Maciejewski, M.W, Prasad, R, Liu, D.-J, Wilson, S.H, Mullen, G.P. | | Deposit date: | 1999-12-06 | | Release date: | 2000-02-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Backbone dynamics and refined solution structure of the N-terminal domain of DNA polymerase beta. Correlation with DNA binding and dRP lyase activity.
J.Mol.Biol., 296, 2000
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3NWM
 | | Crystal structure of a single chain construct composed of MHC class I H-2Kd, beta-2microglobulin and a peptide which is an autoantigen for type 1 diabetes | | Descriptor: | Peptide/beta-2microglobulin/MHC class I H-2Kd chimeric protein | | Authors: | Ramagopal, U.A, Samanta, D, Nathenson, S.G, Almo, S.C. | | Deposit date: | 2010-07-09 | | Release date: | 2011-07-06 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and functional characterization of a single-chain peptide-MHC molecule that modulates both naive and activated CD8+ T cells.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3IDJ
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3QYB
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1CSO
 | | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-ILE18I 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 (1.9 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
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1CT0
 | | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-SER18I 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 (1.8 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
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3QYE
 | | Crystal Structure of Human TBC1D1 RabGAP domain | | Descriptor: | TBC1 domain family member 1 | | Authors: | Park, S.Y, Shoelson, S.E. | | Deposit date: | 2011-03-03 | | Release date: | 2011-03-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of human TBC1D1 and TBC1D4 (AS160) RabGTPase-activating protein (RabGAP) domains reveal critical elements for GLUT4 translocation.
J.Biol.Chem., 286, 2011
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3IDG
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1DS2
 | | CRYSTAL STRUCTURE OF SGPB:OMTKY3-COO-LEU18I | | Descriptor: | OVOMUCOID, PROTEINASE B (SGPB) | | Authors: | Bateman, K.S, Huang, K, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 2000-01-06 | | Release date: | 2001-01-31 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Contribution of peptide bonds to inhibitor-protease binding: crystal structures of the turkey ovomucoid third domain backbone variants OMTKY3-Pro18I and OMTKY3-psi[COO]-Leu18I in complex with Streptomyces griseus proteinase B (SGPB) and the structure of the free inhibitor, OMTKY-3-psi[CH2NH2+]-Asp19I
J.Mol.Biol., 305, 2001
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1DK2
 | | REFINED SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF DNA POLYMERASE BETA | | Descriptor: | DNA POLYMERASE BETA | | Authors: | Maciejewski, M.W, Prasad, R, Liu, D.-J, Wilson, S.H, Mullen, G.P. | | Deposit date: | 1999-12-06 | | Release date: | 2000-02-14 | | Last modified: | 2024-04-10 | | Method: | SOLUTION NMR | | Cite: | Backbone dynamics and refined solution structure of the N-terminal domain of DNA polymerase beta. Correlation with DNA binding and dRP lyase activity.
J.Mol.Biol., 296, 2000
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3R0N
 | | Crystal Structure of the Immunoglobulin variable domain of Nectin-2 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Poliovirus receptor-related protein 2 | | Authors: | Ramagopal, U.A, Samanta, D, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | | Deposit date: | 2011-03-08 | | Release date: | 2011-04-27 | | Last modified: | 2012-11-07 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure of Nectin-2 reveals determinants of homophilic and heterophilic interactions that control cell-cell adhesion.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3RP1
 | | Crystal structure of Human LAIR-1 in C2 space group | | Descriptor: | Leukocyte-associated immunoglobulin-like receptor 1 | | Authors: | Sampathkumar, P, Ramagopal, U.A, Yan, Q, Toro, R, Nathenson, S, Bonanno, J, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-04-26 | | Release date: | 2011-06-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of Human LAIR-1 in C2 space group
To be Published
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