4KTC
 
 | | NS3/NS4A protease with inhibitor | | Descriptor: | (2R,6S,13aR,14aR,16aS)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydroisoquinoline-2(1H)-carboxylate, NS4A peptide, Serine protease NS3, ... | | Authors: | Zhang, H, Ballard, J, Vigers, G.P.A, Brandhuber, B.J. | | Deposit date: | 2013-05-20 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of Danoprevir (ITMN-191/R7227), a Highly Selective and Potent Inhibitor of Hepatitis C Virus (HCV) NS3/4A Protease.
J.Med.Chem., 57, 2014
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2H1D
 | | ResA pH 9.25 | | Descriptor: | 1,2-ETHANEDIOL, Thiol-disulfide oxidoreductase resA | | Authors: | Lewin, A, Crow, A, Oubrie, A, Le Brun, N.E. | | Deposit date: | 2006-05-16 | | Release date: | 2006-09-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Molecular Basis for Specificity of the Extracytoplasmic Thioredoxin ResA.
J.Biol.Chem., 281, 2006
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1KV6
 | | X-ray structure of the orphan nuclear receptor ERR3 ligand-binding domain in the constitutively active conformation | | Descriptor: | ESTROGEN-RELATED RECEPTOR GAMMA, steroid receptor coactivator 1 | | Authors: | Greschik, H, Wurtz, J.-M, Sanglier, S, Bourguet, W, van Dorsselaer, A, Moras, D, Renaud, J.-P, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2002-01-25 | | Release date: | 2003-01-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and Functional Evidence for Ligand-Independent Transcriptional Activation by the Estrogen-Related Receptor 3
Mol.Cell, 9, 2002
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2HFD
 | | NMR structure of protein Hydrogenase-1 operon protein hyaE from Escherichia coli: Northeast Structural Genomics Consortium Target ER415 | | Descriptor: | Hydrogenase-1 operon protein hyaE | | Authors: | Singarapu, K.K, Liu, G, Eletsky, A, Parish, D, Atreya, H.S, Xu, D, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-06-23 | | Release date: | 2006-08-22 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Protein chaperones Q8ZP25_SALTY from Salmonella typhimurium and HYAE_ECOLI from Escherichia coli exhibit thioredoxin-like structures despite lack of canonical thioredoxin active site sequence motif.
J.STRUCT.FUNCT.GENOM., 9, 2008
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1XUZ
 | | Crystal structure analysis of sialic acid synthase (NeuB)from Neisseria meningitidis, bound to Mn2+, Phosphoenolpyruvate, and N-acetyl mannosaminitol | | Descriptor: | 5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}-D-GLUCITOL, MANGANESE (II) ION, PHOSPHOENOLPYRUVATE, ... | | Authors: | Gunawan, J, Simard, D, Gilbert, M, Lovering, A.L, Wakarchuk, W.W, Tanner, M.E, Strynadka, N.C. | | Deposit date: | 2004-10-26 | | Release date: | 2004-11-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and mechanistic analysis of sialic acid synthase NeuB from Neisseria meningitidis in complex with Mn2+, phosphoenolpyruvate, and N-acetylmannosaminitol.
J.Biol.Chem., 280, 2005
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1T4Q
 | | Interleukin 1 beta F101W | | Descriptor: | Interleukin-1 beta | | Authors: | Adamek, D.H, Guerrero, L, Caspar, D.L. | | Deposit date: | 2004-04-30 | | Release date: | 2004-12-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and energetic consequences of mutations in a solvated hydrophobic cavity.
J.Mol.Biol., 346, 2005
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3CQL
 | | Crystal Structure of GH family 19 chitinase from Carica papaya | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Endochitinase, ... | | Authors: | Huet, J, Rucktoa, P, Clantin, B, Azarkan, M, Looze, Y, Villeret, V, Wintjens, R. | | Deposit date: | 2008-04-03 | | Release date: | 2008-08-05 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | X-ray Structure of Papaya Chitinase Reveals the Substrate Binding Mode of Glycosyl Hydrolase Family 19 Chitinases.
Biochemistry, 47, 2008
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3CPC
 | | Crystal structure of the VEGFR2 kinase domain in complex with a pyridone inhibitor | | Descriptor: | 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one, Vascular endothelial growth factor receptor 2 | | Authors: | Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H. | | Deposit date: | 2008-03-31 | | Release date: | 2008-06-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit.
J.Med.Chem., 51, 2008
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1DTJ
 | | CRYSTAL STRUCTURE OF NOVA-2 KH3 K-HOMOLOGY RNA-BINDING DOMAIN | | Descriptor: | RNA-BINDING NEUROONCOLOGICAL VENTRAL ANTIGEN 2 | | Authors: | Lewis, H.A, Chen, H, Edo, C, Buckanovich, R.J, Yang, Y.Y.L, Musunuru, K, Zhong, R, Darnell, R.B, Burley, S.K. | | Deposit date: | 2000-01-12 | | Release date: | 2000-02-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of Nova-1 and Nova-2 K-homology RNA-binding domains.
Structure Fold.Des., 7, 1999
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3SEE
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3CUU
 | | Crystal structure of glycogen phosphorylase b in complex with N-(-D-glucopyranosyl)-N'-(2-naphthyl)oxamides | | Descriptor: | Glycogen phosphorylase, muscle form, N-[(naphthalen-1-ylamino)(oxo)acetyl]-beta-D-glucopyranosylamine | | Authors: | Kyritsi, C, Chrysina, E.D, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G. | | Deposit date: | 2008-04-17 | | Release date: | 2009-04-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Tracking structure activity relationships of glycogen phosphorylase inhibitors: synthesis, kinetic and crystallographic evaluation of analogues of N-(-D-glucopyranosyl)-N'-oxamides
To be Published
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1TLO
 | | High resolution crystal structure of calpain I protease core in complex with E64 | | Descriptor: | CALCIUM ION, Calpain 1, large [catalytic] subunit, ... | | Authors: | Moldoveanu, T, Campbell, R.L, Cuerrier, D, Davies, P.L. | | Deposit date: | 2004-06-09 | | Release date: | 2004-11-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structures of Calpain-E64 and -Leupeptin Inhibitor Complexes Reveal Mobile Loops Gating the Active Site
J.Mol.Biol., 343, 2004
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1ASW
 | | AVIAN SARCOMA VIRUS INTEGRASE CATALYTIC CORE DOMAIN CRYSTALLIZED FROM 20% PEG 4000, 10% ISOPROPANOL, HEPES PH 7.5 USING SELENOMETHIONINE SUBSTITUTED PROTEIN; DATA COLLECTED AT-165 DEGREES C | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AVIAN SARCOMA VIRUS INTEGRASE, ISOPROPYL ALCOHOL | | Authors: | Bujacz, G, Jaskolski, M, Alexandratos, J, Wlodawer, A. | | Deposit date: | 1995-08-25 | | Release date: | 1995-11-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-resolution structure of the catalytic domain of avian sarcoma virus integrase.
J.Mol.Biol., 253, 1995
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3CVW
 | | Drosophila melanogaster (6-4) photolyase H365N mutant bound to ds DNA with a T-T (6-4) photolesion and cofactor F0 | | Descriptor: | 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol, DNA (5'-D(*DAP*DCP*DAP*DGP*DCP*DGP*DGP*(64T)P*(5PY)P*DGP*DCP*DAP*DGP*DGP*DT)-3'), DNA (5'-D(*DTP*DAP*DCP*DCP*DTP*DGP*DCP*DAP*DAP*DCP*DCP*DGP*DCP*DTP*DG)-3'), ... | | Authors: | Maul, M.J, Barends, T.R.M, Glas, A.F, Cryle, M.J, Schlichting, I, Carell, T. | | Deposit date: | 2008-04-20 | | Release date: | 2009-10-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure and mechanism of a cofactor f0
accelerated (6-4) photolyase from the fruit fly
To be Published
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1XWS
 | | Crystal Structure of the human PIM1 kinase domain | | Descriptor: | 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, Proto-oncogene serine/threonine-protein kinase Pim-1, SULFATE ION | | Authors: | Knapp, S, Debreczeni, J, Bullock, A, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Guo, K. | | Deposit date: | 2004-11-02 | | Release date: | 2004-11-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of human PIM1 kinase domain
To be Published
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3CXL
 | | Crystal structure of human chimerin 1 (CHN1) | | Descriptor: | N-chimerin, UNKNOWN ATOM OR ION, ZINC ION | | Authors: | Shen, L, Buck, M, Tong, Y, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-04-24 | | Release date: | 2008-08-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of human chimerin 1 (CHN1).
To be Published
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4KE9
 | | Crystal structure of Monoglyceride lipase from Bacillus sp. H257 in complex with an 1-stearyol glycerol analogue | | Descriptor: | Thermostable monoacylglycerol lipase, hexadecyl hydrogen (R)-(3-azidopropyl)phosphonate | | Authors: | Rengachari, S, Aschauer, P, Gruber, K, Dreveny, I, Oberer, M. | | Deposit date: | 2013-04-25 | | Release date: | 2013-09-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Conformational plasticity and ligand binding of bacterial monoacylglycerol lipase.
J.Biol.Chem., 288, 2013
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4KFN
 | | Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | | Descriptor: | 1,2-ETHANEDIOL, N-[4-(piperidin-1-ylsulfonyl)benzyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Zheng, X, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynolds, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Gunzner-Toste, J, Liederer, B.M, Ly, J, O'Brien, T, Oh, A, Wang, L, Wang, W, Xiao, Y, Zak, M, Zhao, G, Yuen, P, Bair, K.W. | | Deposit date: | 2013-04-27 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors.
J.Med.Chem., 56, 2013
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2EI6
 | | FACTOR XA IN COMPLEX WITH THE INHIBITOR (-)-cis-N1-[(5-Chloroindol-2-yl)carbonyl]-N2-[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]-1,2-cyclohexanediamine | | Descriptor: | CALCIUM ION, Coagulation factor X, heavy chain, ... | | Authors: | Suzuki, M. | | Deposit date: | 2007-03-12 | | Release date: | 2008-03-18 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Cycloalkanediamine derivatives as novel blood coagulation factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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4KP7
 | | Structure of Plasmodium IspC in complex with a beta-thia-isostere derivative of Fosmidomycin | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MANGANESE (III) ION, ... | | Authors: | Kunfermann, A, Bacher, A, Groll, M. | | Deposit date: | 2013-05-13 | | Release date: | 2013-10-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | IspC as Target for Antiinfective Drug Discovery: Synthesis, Enantiomeric Separation, and Structural Biology of Fosmidomycin Thia Isosters.
J.Med.Chem., 56, 2013
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2EJ3
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1BTX
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1ST9
 | | Crystal Structure of a Soluble Domain of ResA in the Oxidised Form | | Descriptor: | 1,2-ETHANEDIOL, Thiol-disulfide oxidoreductase resA | | Authors: | Crow, A, Acheson, R.M, Le Brun, N.E, Oubrie, A. | | Deposit date: | 2004-03-25 | | Release date: | 2004-05-11 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Basis of Redox-coupled Protein Substrate Selection by the Cytochrome c Biosynthesis Protein ResA.
J.Biol.Chem., 279, 2004
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2RGK
 | | Functional annotation of Escherichia coli yihS-encoded protein | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Uncharacterized sugar isomerase yihS | | Authors: | Itoh, T, Mikami, B, Hashimoto, W, Murata, K. | | Deposit date: | 2007-10-03 | | Release date: | 2008-08-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of YihS in complex with D-mannose: structural annotation of Escherichia coli and Salmonella enterica yihS-encoded proteins to an aldose-ketose isomerase
J.Mol.Biol., 377, 2008
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1TBX
 | | Crystal structure of SSV1 F-93 | | Descriptor: | Hypothetical 11.0 kDa protein | | Authors: | Kraft, P, Oeckinghaus, A, Kummel, D, Gauss, G.H, Wiedenheft, B, Young, M, Lawrence, C.M. | | Deposit date: | 2004-05-20 | | Release date: | 2004-07-13 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of F-93 from Sulfolobus spindle-shaped virus 1, a winged-helix DNA binding protein.
J.Virol., 78, 2004
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