8ES4
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1Z0H
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![BU of 1z0h by Molmil](/molmil-images/mine/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
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1FBB
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3H2Q
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![BU of 3h2q by Molmil](/molmil-images/mine/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
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3H2P
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![BU of 3h2p by Molmil](/molmil-images/mine/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
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1YXW
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![BU of 1yxw by Molmil](/molmil-images/mine/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
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3GTV
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![BU of 3gtv by Molmil](/molmil-images/mine/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
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3GTT
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![BU of 3gtt by Molmil](/molmil-images/mine/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
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2F9U
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![BU of 2f9u by Molmil](/molmil-images/mine/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
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3QQD
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![BU of 3qqd by Molmil](/molmil-images/mine/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
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3KNX
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![BU of 3knx by Molmil](/molmil-images/mine/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
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3EYD
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![BU of 3eyd by Molmil](/molmil-images/mine/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
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7KD8
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![BU of 7kd8 by Molmil](/molmil-images/mine/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
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7K1A
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![BU of 7k1a by Molmil](/molmil-images/mine/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
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7K1C
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![BU of 7k1c by Molmil](/molmil-images/mine/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
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8ILU
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![BU of 8ilu by Molmil](/molmil-images/mine/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
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2L15
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![BU of 2l15 by Molmil](/molmil-images/mine/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
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7XFA
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![BU of 7xfa by Molmil](/molmil-images/mine/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
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4V95
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![BU of 4v95 by Molmil](/molmil-images/mine/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
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3CQP
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![BU of 3cqp by Molmil](/molmil-images/mine/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
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4UQK
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![BU of 4uqk by Molmil](/molmil-images/mine/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
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2GVF
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![BU of 2gvf by Molmil](/molmil-images/mine/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
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4UQ6
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![BU of 4uq6 by Molmil](/molmil-images/mine/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
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4UQQ
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![BU of 4uqq by Molmil](/molmil-images/mine/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
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4UQJ
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![BU of 4uqj by Molmil](/molmil-images/mine/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
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