5BX4
| Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with Glucoimidazole | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLUCOIMIDAZOLE, ... | Authors: | Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tankrathok, A, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. | Deposit date: | 2015-06-08 | Release date: | 2016-05-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2) Acs Chem.Biol., 11, 2016
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5BX2
| Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with 2-deoxy-2-fluoroglucoside | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-2-fluoro-alpha-D-glucopyranose, CALCIUM ION, ... | Authors: | Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. | Deposit date: | 2015-06-08 | Release date: | 2016-05-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2) Acs Chem.Biol., 11, 2016
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5C4U
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5GRT
| HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, GLUTATHIONYLSPERMIDINE COMPLEX | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE, GLUTATHIONYLSPERMIDINE DISULFIDE | 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 (2.4 Å) | Cite: | Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity. Biochemistry, 36, 1997
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4JV7
| Co-crystal structure of MDM2 with inhibitor (2S,5R,6S)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one | Descriptor: | (2S,5R,6S)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C. | Deposit date: | 2013-03-25 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors. J.Med.Chem., 56, 2013
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3MBY
| Ternary complex of DNA Polymerase BETA with template base A and 8oxodGTP in the active site with a dideoxy terminated primer | Descriptor: | 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Batra, V.K, Beard, W.A, Hou, E.W, Pedersen, L.C, Prasad, R, Wilson, S.H. | Deposit date: | 2010-03-26 | Release date: | 2010-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mutagenic conformation of 8-oxo-7,8-dihydro-2'-dGTP in the confines of a DNA polymerase active site. Nat.Struct.Mol.Biol., 17, 2010
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1XD4
| Crystal structure of the DH-PH-cat module of Son of Sevenless (SOS) | Descriptor: | Son of sevenless protein homolog 1 | Authors: | Sondermann, H, Soisson, S.M, Boykevisch, S, Yang, S.S, Bar-Sagi, D, Kuriyan, J. | Deposit date: | 2004-09-03 | Release date: | 2004-11-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.64 Å) | Cite: | Structural analysis of autoinhibition in the ras activator son of sevenless. Cell(Cambridge,Mass.), 119, 2004
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1XD2
| Crystal Structure of a ternary Ras:SOS:Ras*GDP complex | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Sondermann, H, Soisson, S.M, Boykevisch, S, Yang, S.S, Bar-Sagi, D, Kuriyan, J. | Deposit date: | 2004-09-03 | Release date: | 2004-11-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural analysis of autoinhibition in the ras activator son of sevenless. Cell(Cambridge,Mass.), 119, 2004
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1XDV
| Experimentally Phased Structure of Human the Son of Sevenless protein at 4.1 Ang. | Descriptor: | Son of sevenless protein homolog 1 | Authors: | Sondermann, H, Soisson, S.M, Boykevisch, S, Yang, S.S, Bar-Sagi, D, Kuriyan, J. | Deposit date: | 2004-09-08 | Release date: | 2004-11-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (4.1 Å) | Cite: | Structural analysis of autoinhibition in the ras activator son of sevenless. Cell(Cambridge,Mass.), 119, 2004
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3DRO
| Crystal structure of the HIV-1 Cross Neutralizing Antibody 2F5 in complex with gp41 Peptide ELLELDKWASLWN grown in ammonium sulfate | Descriptor: | 2F5 Fab heavy chain, 2F5 Fab light chain, ELLELDKWASLWN gp41 peptide | Authors: | Julien, J.-P, Bryson, S, Pai, E.F. | Deposit date: | 2008-07-11 | Release date: | 2008-07-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | Structural details of HIV-1 recognition by the broadly neutralizing monoclonal antibody 2F5: epitope conformation, antigen-recognition loop mobility, and anion-binding site. J.Mol.Biol., 384, 2008
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5DKT
| N-terminal His tagged apPOL exonuclease mutant | Descriptor: | Prex DNA polymerase, SODIUM ION, SULFATE ION | Authors: | Milton, M.E, Honzatko, R.B, Choe, J.Y, Nelson, S.W. | Deposit date: | 2015-09-04 | Release date: | 2016-08-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of the Apicoplast DNA Polymerase from Plasmodium falciparum: The First Look at a Plastidic A-Family DNA Polymerase. J.Mol.Biol., 428, 2016
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3FMG
| Structure of rotavirus outer capsid protein VP7 trimer in complex with a neutralizing Fab | Descriptor: | CALCIUM ION, Fab of neutralizing antibody 4F8, heavy chain, ... | Authors: | Aoki, S.T, Settembre, E.C, Trask, S.D, Greenberg, H.B, Harrison, S.C, Dormitzer, P.R. | Deposit date: | 2008-12-22 | Release date: | 2009-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure of rotavirus outer-layer protein VP7 bound with a neutralizing Fab. Science, 324, 2009
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4KG8
| Crystal structure of light mutant | Descriptor: | Tumor necrosis factor ligand superfamily member 14 | Authors: | Liu, W, Zhan, C, Kumar, P.R, Bonanno, J.B, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2013-04-28 | Release date: | 2013-08-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Mechanistic basis for functional promiscuity in the TNF and TNF receptor superfamilies: structure of the LIGHT:DcR3 assembly. Structure, 22, 2014
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4KGQ
| Crystal structure of a human light loop mutant in complex with dcr3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Tumor necrosis factor ligand superfamily member 14, ... | Authors: | Liu, W, Zhan, C, Bonanno, J.B, Sampathkumar, P, Toro, R, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2013-04-29 | Release date: | 2013-07-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Mechanistic basis for functional promiscuity in the TNF and TNF receptor superfamilies: structure of the LIGHT:DcR3 assembly. Structure, 22, 2014
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5F4B
| Structure of B. abortus WrbA-related protein A (WrpA) | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, NAD(P)H dehydrogenase (quinone) | Authors: | Herrou, J, Czyz, D, Willett, J.W, Kim, H.S, Chhor, G, Endres, M, Babnigg, G, Kim, Y, Joachimiak, A, Crosson, S, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-12-03 | Release date: | 2016-03-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.498 Å) | Cite: | WrpA Is an Atypical Flavodoxin Family Protein under Regulatory Control of the Brucella abortus General Stress Response System. J.Bacteriol., 198, 2016
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5F51
| Structure of B. abortus WrbA-related protein A (apo) | Descriptor: | NAD(P)H dehydrogenase (quinone), SULFATE ION | Authors: | Herrou, J, Czyz, D, Willett, J.W, Kim, H.S, Kim, Y, Crosson, S. | Deposit date: | 2015-12-03 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | WrpA Is an Atypical Flavodoxin Family Protein under Regulatory Control of the Brucella abortus General Stress Response System. J.Bacteriol., 198, 2016
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5F4N
| Multi-parameter lead optimization to give an oral CHK1 inhibitor clinical candidate: (R)-5-((4-((morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737) | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Serine/threonine-protein kinase Chk1, ... | Authors: | Collins, I, Garrett, M.D, van Montfort, R, Osborne, J.D, Matthews, T.P, McHardy, T, Proisy, N, Cheung, K.J, Lainchbury, M, Brown, N, Walton, M.I, Eve, P.D, Boxall, K.J, Hayes, A, Henley, A.T, Valenti, M.R, De Haven Brandon, A.K, Box, G, Westwood, I.M, Jamin, Y, Robinson, S.P, Leonard, P, Reader, J.C, Aherne, G.W, Raynaud, F.I, Eccles, S.A. | Deposit date: | 2015-12-03 | Release date: | 2016-05-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737). J.Med.Chem., 59, 2016
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4LIM
| Crystal structure of the catalytic subunit of yeast primase | Descriptor: | DNA primase small subunit, ZINC ION | Authors: | Vaithiyalingam, S, Chazin, W.J, Berger, J.M, Corn, J, Stephenson, S. | Deposit date: | 2013-07-02 | Release date: | 2013-12-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Insights into Eukaryotic Primer Synthesis from Structures of the p48 Subunit of Human DNA Primase. J.Mol.Biol., 426, 2014
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5A2F
| Two membrane distal IgSF domains of CD166 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CD166 ANTIGEN | Authors: | Chappell, P.E, Johnson, S, Lea, S.M, Brown, M.H. | Deposit date: | 2015-05-18 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structures of Cd6 and its Ligand Cd166 Give Insight Into Their Interaction. Structure, 23, 2015
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5FSR
| Crystal structure of penicillin binding protein 6B from Escherichia coli | Descriptor: | D-ALANYL-D-ALANINE CARBOXYPEPTIDASE DACD | Authors: | Peters, K, Kannan, S, Rao, V.A, Bilboy, J, Vollmer, D, Erickson, S.W, Lewis, R.J, Young, K.D, Vollmer, W. | Deposit date: | 2016-01-07 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Redundancy of Peptidoglycan Carboxypeptidases Ensures Robust Cell Shape Maintenance in Escherichia Coli Mbio, 7, 2016
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4GWA
| Crystal Structure of a GH7 Family Cellobiohydrolase from Limnoria quadripunctata | Descriptor: | GH7 family protein, MAGNESIUM ION | Authors: | McGeehan, J.E, Martin, R.N.A, Streeter, S.D, Cragg, S.M, Guille, M.J, Schnorr, K.M, Kern, M, Bruce, N.C, McQueen-Mason, S.J. | Deposit date: | 2012-09-01 | Release date: | 2013-06-12 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural characterization of a unique marine animal family 7 cellobiohydrolase suggests a mechanism of cellulase salt tolerance Proc.Natl.Acad.Sci.USA, 110, 2013
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4J6G
| CRYSTAL STRUCTURE OF LIGHT AND DcR3 COMPLEX | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Liu, W, 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: | 2013-02-11 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Mechanistic basis for functional promiscuity in the TNF and TNF receptor superfamilies: structure of the LIGHT:DcR3 assembly. Structure, 22, 2014
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5TYZ
| DNA Polymerase Mu Product Complex, Mn2+ (960 min) | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2016-11-21 | Release date: | 2017-08-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.977 Å) | Cite: | Time-lapse crystallography snapshots of a double-strand break repair polymerase in action. Nat Commun, 8, 2017
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5TYU
| DNA Polymerase Mu Reactant Complex, Mn2+ (4 min) | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2016-11-21 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.048 Å) | Cite: | Time-lapse crystallography snapshots of a double-strand break repair polymerase in action. Nat Commun, 8, 2017
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4HAQ
| Crystal Structure of a GH7 family cellobiohydrolase from Limnoria quadripunctata in complex with cellobiose and cellotriose | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GH7 family protein, ... | Authors: | Martin, R.N.A, McGeehan, J.E, Streeter, S.D, Cragg, S.M, Guille, M.J, Schnorr, K.M, Kern, M, Bruce, N.C, McQueen-Mason, S.J. | Deposit date: | 2012-09-27 | Release date: | 2013-06-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural characterization of a unique marine animal family 7 cellobiohydrolase suggests a mechanism of cellulase salt tolerance Proc.Natl.Acad.Sci.USA, 110, 2013
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