3GVM
 
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2A3M
 | | Structure of Desulfovibrio desulfuricans G20 tetraheme cytochrome (oxidized form) | | Descriptor: | COG3005: Nitrate/TMAO reductases, membrane-bound tetraheme cytochrome c subunit, HEME C | | Authors: | Pattarkine, M.V, Tanner, J.J, Bottoms, C.A, Lee, Y.H, Wall, J.D. | | Deposit date: | 2005-06-25 | | Release date: | 2006-04-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Desulfovibrio desulfuricans G20 Tetraheme Cytochrome Structure at 1.5A and Cytochrome Interaction with Metal Complexes
J.Mol.Biol., 358, 2006
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3D5M
 | | Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor | | Descriptor: | N-({3-[(5S)-5-tert-butyl-1-(3-chloro-4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzis othiazol-7-yl}methyl)methanesulfonamide, RNA-directed RNA polymerase | | Authors: | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | | Deposit date: | 2008-05-16 | | Release date: | 2009-05-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide derivatives as novel inhibitors of hepatitis C virus NS5B polymerase.
Bioorg.Med.Chem.Lett., 18, 2008
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2GTM
 | | Mutated Mouse P38 MAP Kinase Domain in complex with Inhibitor PG-892579 | | Descriptor: | 8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM, Mitogen-activated protein kinase 14 | | Authors: | Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Sabat, M. | | Deposit date: | 2006-04-28 | | Release date: | 2006-05-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-alpha production.
Bioorg.Med.Chem.Lett., 16, 2006
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2GO4
 | | Crystal structure of Aquifex aeolicus LpxC complexed with TU-514 | | Descriptor: | 1,5-ANHYDRO-2-C-(CARBOXYMETHYL-N-HYDROXYAMIDE)-2-DEOXY-3-O-MYRISTOYL-D-GLUCITOL, CHLORIDE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... | | Authors: | Gennadios, H.A, Whittington, D.A, Li, X, Fierke, C.A, Christianson, D.W. | | Deposit date: | 2006-04-12 | | Release date: | 2006-07-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mechanistic Inferences from the Binding of Ligands to LpxC, a Metal-Dependent Deacetylase
Biochemistry, 45, 2006
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4FZR
 | | Crystal Structure of SsfS6, Streptomyces sp. SF2575 glycosyltransferase | | Descriptor: | SsfS6 | | Authors: | Wang, F, Zhou, M, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2012-07-07 | | Release date: | 2012-07-25 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.397 Å) | | Cite: | Crystal structure of SsfS6, the putative C-glycosyltransferase involved in SF2575 biosynthesis.
Proteins, 81, 2013
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3D28
 | | Crystal structure of hcv ns5b polymerase with a novel benzisothiazole inhibitor | | Descriptor: | (5S)-1-benzyl-3-(1,1-dioxido-1,2-benzisothiazol-3-yl)-4-hydroxy-5-(1-methylethyl)-1,5-dihydro-2H-pyrrol-2-one, RNA-directed RNA polymerase | | Authors: | Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R. | | Deposit date: | 2008-05-07 | | Release date: | 2009-05-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide derivatives as novel inhibitors of hepatitis C virus NS5B polymerase.
Bioorg.Med.Chem.Lett., 18, 2008
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4KYN
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3U6I
 | | Crystal structure of c-Met in complex with pyrazolone inhibitor 58a | | Descriptor: | Hepatocyte growth factor receptor, N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-[(2R)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide | | Authors: | Bellon, S.F, Whittington, D.A, Long, A.L. | | Deposit date: | 2011-10-12 | | Release date: | 2012-02-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012
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4L53
 | | Crystal Structure of (1R,4R)-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexan-1-ol bound to TAK1-TAB1 | | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, ... | | Authors: | Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M. | | Deposit date: | 2013-06-10 | | Release date: | 2013-07-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Discovery of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1: Optimization of kinase selectivity and pharmacokinetics.
Bioorg.Med.Chem.Lett., 23, 2013
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3U6H
 | | Crystal structure of c-Met in complex with pyrazolone inhibitor 26 | | Descriptor: | Hepatocyte growth factor receptor, N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide | | Authors: | Bellon, S.F, Whittington, D.A, Long, A.L. | | Deposit date: | 2011-10-12 | | Release date: | 2012-02-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012
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2JNH
 | | Solution Structure of the UBA Domain from Cbl-b | | Descriptor: | E3 ubiquitin-protein ligase CBL-B | | Authors: | Zhou, C, Zhou, Z, Lin, D, Hu, H. | | Deposit date: | 2007-01-24 | | Release date: | 2008-02-05 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Differential ubiquitin binding of the UBA domains from human c-Cbl and Cbl-b: NMR structural and biochemical insights
Protein Sci., 17, 2008
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2JE2
 | | Cytochrome P460 from Nitrosomonas europaea - probable nonphysiological oxidized form | | Descriptor: | CYTOCHROME P460, HEME C, PHOSPHATE ION | | Authors: | Pearson, A.R, Elmore, B.O, Yang, C, Ferrara, J.D, Hooper, A.B, Wilmot, C.M. | | Deposit date: | 2007-01-13 | | Release date: | 2007-07-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Crystal Structure of Cytochrome P460 of Nitrosomonas Europaea Reveals a Novel Cytochrome Fold and Heme-Protein Cross-Link.
Biochemistry, 46, 2007
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2JJL
 | | Structure of avian reovirus sigmaC117-326, P321 crystal form | | Descriptor: | CHLORIDE ION, SIGMA-C CAPSID PROTEIN, SULFATE ION, ... | | Authors: | Guardado-Calvo, P, Fox, G.C, Llamas-Saiz, A.L, Benavente, J, van Raaij, M.J. | | Deposit date: | 2008-04-14 | | Release date: | 2009-01-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystallographic structure of the alpha-helical triple coiled-coil domain of avian reovirus S1133 fibre.
J. Gen. Virol., 90, 2009
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2LGW
 | | Solution Structure of the J Domain of HSJ1a | | Descriptor: | DnaJ homolog subfamily B member 2 | | Authors: | Zhou, C, Gao, X, Cao, C, Hu, H. | | Deposit date: | 2011-08-02 | | Release date: | 2012-01-11 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The C-terminal helices of heat shock protein 70 are essential for J-domain binding and ATPase activation.
J.Biol.Chem., 287, 2012
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5P9Y
 | | humanized rat catechol O-methyltransferase in complex with 6-(4-fluorophenyl)-8-hydroxy-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 6-(4-fluorophenyl)-8-oxidanyl-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one, ... | | Authors: | Ehler, A, Lerner, C, Rudolph, M.G. | | Deposit date: | 2016-10-19 | | Release date: | 2017-11-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal Structure of a COMT complex
To be published
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3E73
 | | Crystal Structure of Human LanCL1 complexed with GSH | | Descriptor: | GLUTATHIONE, LanC-like protein 1, ZINC ION | | Authors: | Zhang, W, Zhu, G, Li, X, Rao, Z, Zhang, C. | | Deposit date: | 2008-08-17 | | Release date: | 2009-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of human lanthionine synthetase C-like protein 1 and its interaction with Eps8 and glutathione
Genes Dev., 23, 2009
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5P9C
 | | rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)benzamide at 1.70A | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 5-(4-fluorophenyl)-2,3-dihydroxy-N-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)benzamide, Catechol O-methyltransferase, ... | | Authors: | Ehler, A, Lerner, C, Rudolph, M.G. | | Deposit date: | 2016-08-30 | | Release date: | 2017-08-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of a COMT complex
To be published
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2YLE
 | | Crystal structure of the human Spir-1 KIND FSI domain in complex with the FSI peptide | | Descriptor: | FORMIN-2, PROTEIN SPIRE HOMOLOG 1 | | Authors: | Zeth, K, Pechlivanis, M, Vonrhein, C, Kerkhoff, E. | | Deposit date: | 2011-06-01 | | Release date: | 2011-06-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular Basis of Actin Nucleation Factor Cooperativity: Crystal Structure of the Spir-1 Kinase Non-Catalytic C-Lobe Domain (Kind)Formin-2 Formin Spir Interaction Motif (Fsi) Complex.
J.Biol.Chem., 286, 2011
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4HXK
 | | Brd4 Bromodomain 1 complex with 6,7-DIHYDROTHIENO[3,2-C]PYRIDIN-5(4H)-YL(1H-IMIDAZOL-1-YL)METHANONE inhibitor | | Descriptor: | 6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl(1H-imidazol-1-yl)methanone, Bromodomain-containing protein 4 | | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | | Deposit date: | 2012-11-12 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
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4L3P
 | | Crystal Structure of 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine bound to TAK1-TAB1 | | Descriptor: | 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera | | Authors: | Wang, J, Hornberger, K.R, Crew, A.P, Steinbacher, S, Maskos, K, Moertl, M. | | Deposit date: | 2013-06-06 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1.
Bioorg.Med.Chem.Lett., 23, 2013
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1J9O
 | | SOLUTION STRUCTURE OF HUMAN LYMPHOTACTIN | | Descriptor: | LYMPHOTACTIN | | Authors: | Kuloglu, E.S, McCaslin, D.R, Kitabwalla, M, Pauza, C.D, Markley, J.L, Volkman, B.F. | | Deposit date: | 2001-05-28 | | Release date: | 2001-10-24 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Monomeric solution structure of the prototypical 'C' chemokine lymphotactin.
Biochemistry, 40, 2001
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4IJ7
 | | Crystal structure of Odorant Binding Protein 48 from Anopheles gambiae (AgamOBP48) with PEG | | Descriptor: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, Odorant binding protein-8, SODIUM ION | | Authors: | Zographos, S.E, Tsitsanou, K.E, Drakou, C.E. | | Deposit date: | 2012-12-21 | | Release date: | 2013-10-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal and Solution Studies of the "Plus-C" Odorant-binding Protein 48 from Anopheles gambiae: CONTROL OF BINDING SPECIFICITY THROUGH THREE-DIMENSIONAL DOMAIN SWAPPING.
J.Biol.Chem., 288, 2013
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3F2Z
 | | Crystal structure of the C-terminal domain of a chitobiase (BF3579) from Bacteroides fragilis, Northeast Structural Genomics Consortium Target BfR260B | | Descriptor: | uncharacterized protein BF3579 | | Authors: | Forouhar, F, Lew, S, Seetharaman, J, Janjua, H, Xiao, R, Foote, E.L, Ciccosanti, C, Lee, D, Nair, R, Everett, J.K, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-10-30 | | Release date: | 2008-11-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of the C-terminal domain of a chitobiase (BF3579) from Bacteroides fragilis, Northeast Structural Genomics Consortium Target BfR260B
To be Published
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4LKU
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