8ES4
 
 | |
1Z0H
 | | N-terminal helix reorients in recombinant C-fragment of Clostridium botulinum type B | | Descriptor: | Botulinum neurotoxin type B | | Authors: | Jayaraman, S, Eswarmoorthy, S, Ashraf, S.A, Smith, L.A, Swaminathan, S. | | Deposit date: | 2005-03-01 | | Release date: | 2005-03-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | N-terminal helix reorients in recombinant C-fragment of Clostridium botulinum type B.
Biochem.Biophys.Res.Commun., 330, 2005
|
|
1FBB
 | |
3H2Q
 | | Human SOD1 H80R variant, P21 crystal form | | Descriptor: | SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION | | Authors: | Seetharaman, S.V, Winkler, D.D, Taylor, A.B, Cao, X, Whitson, L.J, Doucette, P.A, Valentine, J.S, Carroll, M.C, Culotta, V.C, Hart, P.J. | | Deposit date: | 2009-04-14 | | Release date: | 2010-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structures of Pathogenic SOD1 Mutants H80R and D124V: Disrupted Zinc-binding
and Compromised Post-translational Modification by the Copper Chaperone CCS
To be Published
|
|
3H2P
 | | Human SOD1 D124V Variant | | Descriptor: | ACETYL GROUP, MALONATE ION, Superoxide dismutase [Cu-Zn], ... | | Authors: | Seetharaman, S.V, Winkler, D.D, Taylor, A.B, Cao, X, Whitson, L.J, Doucette, P.A, Valentine, J.S, Carroll, M.C, Culotta, V.C, Hart, P.J. | | Deposit date: | 2009-04-14 | | Release date: | 2010-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structures of Pathogenic SOD1 Mutants H80R and D124V: Disrupted Zinc-binding
and Compromised Post-translational Modification by the Copper Chaperone CCS
To be Published
|
|
1YXW
 | | A common binding site for disialyllactose and a tri-peptide in the C-fragment of tetanus neurotoxin | | Descriptor: | GLUTAMIC ACID, TRYPTOPHAN, TYROSINE, ... | | Authors: | Jayaraman, S, Eswaramoorthy, S, Kumaran, D, Swaminathan, S. | | Deposit date: | 2005-02-22 | | Release date: | 2005-03-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Common binding site for disialyllactose and tri-peptide in C-fragment of tetanus neurotoxin
Proteins, 61, 2005
|
|
3GTV
 | | Human-mouse SOD1 chimera | | Descriptor: | Superoxide dismutase [Cu-Zn], ZINC ION | | Authors: | Seetharaman, S.V, Taylor, A.B, Hart, P.J. | | Deposit date: | 2009-03-28 | | Release date: | 2010-09-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of mouse SOD1 and human/mouse SOD1 chimeras.
Arch.Biochem.Biophys., 503, 2010
|
|
3GTT
 | | Mouse SOD1 | | Descriptor: | Superoxide dismutase [Cu-Zn], ZINC ION | | Authors: | Seetharaman, S.V, Taylor, A.B, Hart, P.J. | | Deposit date: | 2009-03-28 | | Release date: | 2010-09-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of mouse SOD1 and human/mouse SOD1 chimeras.
Arch.Biochem.Biophys., 503, 2010
|
|
2F9U
 | | HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with a P2 norborane | | Descriptor: | 1,1-DIMETHYLETHYL [1-CYCLOHEXYL-2-[3-[[[1-[2-[[2-[[2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO]-2-OXOETHYL]AMINO]-1,2-DIOXOETHYL]PENTYL]AMINO]CARBONYL]-2-AZABICYCLO[2.2.1]HEPTAN-2-YL]-2-OXOETHYL]CARBAMATE, NS3 protease/helicase', ZINC ION, ... | | Authors: | Venkatraman, S, Njoroge, F.G, Wu, W, Girijavallabhan, V, Prongay, A.J, Butkiewicz, N, Pichardo, J. | | Deposit date: | 2005-12-06 | | Release date: | 2006-06-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Novel Inhibitors of Hepatitis C NS3-NS4A Serine Protease Derived from 2-Aza-bicyclo[2.2.1]heptane-3-carboxylic acid.
Bioorg.Med.Chem.Lett., 16, 2006
|
|
3QQD
 | | Human SOD1 H80R variant, P212121 crystal form | | Descriptor: | SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION | | Authors: | Seetharaman, S.V, Winkler, D.D, Taylor, A.B, Cao, X, Whitson, L.J, Doucette, P.A, Valentine, J.S, Schirf, V, Demeler, B, Carroll, M.C, Culotta, V.C, Hart, P.J. | | Deposit date: | 2011-02-15 | | Release date: | 2011-03-09 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.653 Å) | | Cite: | Disrupted zinc-binding sites in structures of pathogenic SOD1 variants D124V and H80R.
Biochemistry, 49, 2010
|
|
3KNX
 | | HCV NS3 protease domain with P1-P3 macrocyclic ketoamide inhibitor | | Descriptor: | (2R)-2-{(3S,13S,16aS,17aR,17bS)-13-[({(1S)-1-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-2,2-dimethylpropyl}carbamoyl)amino]-17,17-dimethyl-1,14-dioxooctadecahydro-2H-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclohexadecin-3-yl}-2-hydroxy-N-prop-2-en-1-ylethanamide, BETA-MERCAPTOETHANOL, HCV NS3 Protease, ... | | Authors: | Venkatraman, S, Velazquez, F, Wu, W, Blackman, M, Chen, K.X, Bogen, S, Nair, L, Tong, X, Chase, R, Hart, A, Agrawal, S, Pichardo, J, Prongay, A, Cheng, K.-C, Girijavallabhan, V, Piwinski, J, Shih, N.-Y, Njoroge, F.G. | | Deposit date: | 2009-11-12 | | Release date: | 2010-10-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery and structure-activity relationship of P1-P3 ketoamide derived macrocyclic inhibitors of hepatitis C virus NS3 protease.
J.Med.Chem., 52, 2009
|
|
3EYD
 | | Structure of HCV NS3-4A Protease with an Inhibitor Derived from a Boronic Acid | | Descriptor: | HCV NS3, HCV NS4a peptide, ZINC ION, ... | | Authors: | Venkatraman, S, Wu, W, Prongay, A.J, Girijavallabhan, V, Njoroge, F.G. | | Deposit date: | 2008-10-20 | | Release date: | 2009-02-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Potent inhibitors of HCV-NS3 protease derived from boronic acids.
Bioorg.Med.Chem.Lett., 19, 2009
|
|
7KD8
 | | TtgR C137I I141W M167L F168Y mutant in complex with resveratrol | | Descriptor: | HTH-type transcriptional regulator TtgR, MAGNESIUM ION, RESVERATROL | | Authors: | Bingman, C.A, Nishikawa, K.K, Smith, R.W, Raman, S. | | Deposit date: | 2020-10-08 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Epistasis shapes the fitness landscape of an allosteric specificity switch.
Nat Commun, 12, 2021
|
|
7K1A
 | | TtgR quadruple mutant (C137I I141W M167L F168Y) | | Descriptor: | HTH-type transcriptional regulator TtgR, MAGNESIUM ION | | Authors: | Bingman, C.A, Nishikawa, K.K, Smith, R.W, Raman, S. | | Deposit date: | 2020-09-07 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Epistasis shapes the fitness landscape of an allosteric specificity switch.
Nat Commun, 12, 2021
|
|
7K1C
 | | TtgR in complex with resveratrol | | Descriptor: | HTH-type transcriptional regulator TtgR, MAGNESIUM ION, RESVERATROL | | Authors: | Bingman, C.A, Nishikawa, K.K, Smith, R.W, Raman, S. | | Deposit date: | 2020-09-07 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Epistasis shapes the fitness landscape of an allosteric specificity switch.
Nat Commun, 12, 2021
|
|
8ILU
 | | Crystal structure of mouse Galectin-3 in complex with small molecule inhibitor | | Descriptor: | (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3, SODIUM ION, ... | | Authors: | Kumar, A, Jinal, S, Raman, S, Ghosh, K. | | Deposit date: | 2023-03-04 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification of Benzothiazole Derived Monosaccharides as Potent, Selective, and Orally Bioavailable Inhibitors of Human and Mouse Galectin-3
To Be Published
|
|
2L15
 | | Solution Structure of Cold Shock Protein CspA Using Combined NMR and CS-Rosetta method | | Descriptor: | Cold shock protein CspA | | Authors: | Tang, Y, Schneider, W.M, Shen, Y, Raman, S, Inouye, M, Baker, D, Roth, M.J, Montelione, G.T. | | Deposit date: | 2010-07-22 | | Release date: | 2010-09-15 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Fully automated high-quality NMR structure determination of small (2)H-enriched proteins.
J Struct Funct Genomics, 11, 2010
|
|
7XFA
 | | Structure of human Galectin-3 CRD in complex with monosaccharide inhibitor | | Descriptor: | (2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-[2-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | | Authors: | Shukla, J, Raman, S, Ghosh, K. | | Deposit date: | 2022-04-01 | | Release date: | 2022-10-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Identification of Monosaccharide Derivatives as Potent, Selective, and Orally Bioavailable Inhibitors of Human and Mouse Galectin-3.
J.Med.Chem., 65, 2022
|
|
4V95
 | | Crystal structure of YAEJ bound to the 70S ribosome | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ... | | Authors: | Gagnon, M.G, Seetharaman, S.V, Bulkley, D.P, Steitz, T.A. | | Deposit date: | 2012-01-27 | | Release date: | 2014-07-09 | | Last modified: | 2018-07-11 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for the rescue of stalled ribosomes: structure of YaeJ bound to the ribosome.
Science, 335, 2012
|
|
3CQP
 | | Human SOD1 G85R Variant, Structure I | | Descriptor: | COPPER (II) ION, MALONATE ION, Superoxide dismutase [Cu-Zn], ... | | Authors: | Cao, X, Antonyuk, S, Seetharaman, S.V, Whitson, L.J, Taylor, A.B, Holloway, S.P, Strange, R.W, Doucette, P.A, Valentine, J.S, Tiwari, A, Hayward, L.J, Padua, S, Cohlberg, J.A, Hasnain, S.S, Hart, P.J. | | Deposit date: | 2008-04-03 | | Release date: | 2008-04-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of the G85R Variant of SOD1 in Familial Amyotrophic Lateral Sclerosis.
J.Biol.Chem., 283, 2008
|
|
4UQK
 | | Electron density map of GluA2em in complex with quisqualate and LY451646 | | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, GLUTAMATE RECEPTOR 2 | | Authors: | Meyerson, J.R, Kumar, J, Chittori, S, Rao, P, Pierson, J, Bartesaghi, A, Mayer, M.L, Subramaniam, S. | | Deposit date: | 2014-06-24 | | Release date: | 2014-08-13 | | Last modified: | 2017-08-02 | | Method: | ELECTRON MICROSCOPY (16.4 Å) | | Cite: | Structural Mechanism of Glutamate Receptor Activation and Desensitization
Nature, 514, 2014
|
|
2GVF
 | | HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021 | | Descriptor: | (6R,8S,11S)-11-CYCLOHEXYL-N-(1-{[(2-{[(1S)-2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO}-2-OXOETHYL)AMINO](OXO)ACETYL}BUTYL)-10,13-DIOXO-2,5-DIOXA-9,12-DIAZATRICYCLO[14.3.1.1~6,9~]HENICOSA-1(20),16,18-TRIENE-8-CARBOXAMIDE, Polyprotein, ZINC ION, ... | | Authors: | Arasappan, A, Njoroge, F.G, Chen, K.X, Venkatraman, S, Parekh, T.N, Gu, H, Pichardo, J, Butkiewicz, N, Prongay, A, Madison, V, Girijavallabhan, V. | | Deposit date: | 2006-05-02 | | Release date: | 2007-01-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | P2-P4 macrocyclic inhibitors of hepatitis C virus NS3-4A serine protease.
Bioorg.Med.Chem.Lett., 16, 2006
|
|
4UQ6
 | | Electron density map of GluA2em in complex with LY451646 and glutamate | | Descriptor: | GLUTAMATE RECEPTOR 2, GLUTAMIC ACID | | Authors: | Meyerson, J.R, Kumar, J, Chittori, S, Rao, P, Pierson, J, Bartesaghi, A, Mayer, M.L, Subramaniam, S. | | Deposit date: | 2014-06-20 | | Release date: | 2014-08-13 | | Last modified: | 2017-08-02 | | Method: | ELECTRON MICROSCOPY (12.8 Å) | | Cite: | Structural Mechanism of Glutamate Receptor Activation and Desensitization
Nature, 514, 2014
|
|
4UQQ
 | | Electron density map of GluK2 desensitized state in complex with 2S,4R-4-methylglutamate | | Descriptor: | GLUTAMATE RECEPTOR IONOTROPIC, KAINATE 2, GLUTAMIC ACID | | Authors: | Meyerson, J.R, Kumar, J, Chittori, S, Rao, P, Pierson, J, Bartesaghi, A, Mayer, M.L, Subramaniam, S. | | Deposit date: | 2014-06-24 | | Release date: | 2014-08-13 | | Last modified: | 2017-08-02 | | Method: | ELECTRON MICROSCOPY (7.6 Å) | | Cite: | Structural Mechanism of Glutamate Receptor Activation and Desensitization
Nature, 514, 2014
|
|
4UQJ
 | | Cryo-EM density map of GluA2em in complex with ZK200775 | | Descriptor: | GLUTAMATE RECEPTOR 2, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid | | Authors: | Meyerson, J.R, Kumar, J, Chittori, S, Rao, P, Pierson, J, Bartesaghi, A, Mayer, M.L, Subramaniam, S. | | Deposit date: | 2014-06-24 | | Release date: | 2014-08-13 | | Last modified: | 2017-08-02 | | Method: | ELECTRON MICROSCOPY (10.4 Å) | | Cite: | Structural Mechanism of Glutamate Receptor Activation and Desensitization
Nature, 514, 2014
|
|
