1PKK
 
 | | Structural basis for recognition and catalysis by the bifunctional dCTP deaminase and dUTPase from Methanococcus jannaschii | | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Bifunctional deaminase/diphosphatase | | Authors: | Huffman, J.L, Li, H, White, R.H, Tainer, J.A. | | Deposit date: | 2003-06-05 | | Release date: | 2003-09-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural basis for recognition and catalysis by the bifunctional dCTP deaminase and dUTPase from Methanococcus jannaschii
J.Mol.Biol., 331, 2003
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2JFE
 | | The crystal structure of human cytosolic beta-glucosidase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CYTOSOLIC BETA-GLUCOSIDASE | | Authors: | Czjzek, M, Tribolo, S, Berrin, J.G, Kroon, P.A, Juge, N. | | Deposit date: | 2007-01-31 | | Release date: | 2007-06-19 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The Crystal Structure of Human Cytosolic Beta-Glucosidase Unravels the Substrate Aglycone Specificity of a Family 1 Glycoside Hydrolase
J.Mol.Biol., 370, 2007
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3E51
 | | Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor | | Descriptor: | N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-pyrrolidin-1-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | | Authors: | Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R. | | Deposit date: | 2008-08-12 | | Release date: | 2009-08-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 5: Exploration of pyridazinones containing 6-amino-substituents.
Bioorg.Med.Chem.Lett., 18, 2008
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1HBJ
 | | X-ray Crystal structure of complex between Torpedo californica AChE and a reversible inhibitor, 4-Amino-5-fluoro-2-methyl-3-(3-trifluoroacetylbenzylthiomethyl)quinoline | | Descriptor: | 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Greenblatt, H.M, Kryger, G, Lewis, T.L, Doucet, C, Viner, R, Silman, I, Sussman, J.L. | | Deposit date: | 2001-04-16 | | Release date: | 2001-09-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Structure-Based Design Approach to the Development of Novel, Reversible Ache Inhibitors
J.Med.Chem., 44, 2001
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2NLF
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2IIZ
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1OC7
 | | D405N mutant of the CELLOBIOHYDROLASE CEL6A FROM HUMICOLA INSOLENS in complex with methyl-tetrathio-alpha-d-cellopentoside at 1.1 angstrom resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CELLOBIOHYDROLASE II, ... | | Authors: | Varrot, A, Frandsen, T.P, Von Ossowski, I, Boyer, V, Driguez, H, Schulein, M, Davies, G.J. | | Deposit date: | 2003-02-06 | | Release date: | 2003-07-10 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Structural Basis for Ligand Binding and Processivity in Cellobiohydrolase Cel6A from Humicola Insolens
Structure, 11, 2003
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1E0V
 | | Xylanase 10A from Sreptomyces lividans. cellobiosyl-enzyme intermediate at 1.7 A | | Descriptor: | ENDO-1,4-BETA-XYLANASE A, beta-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-glucopyranose | | Authors: | Ducros, V, Charnock, S.J, Derewenda, U, Derewenda, Z.S, Dauter, Z, Dupont, C, Shareck, F, Morosoli, R, Kluepfel, D, Davies, G.J. | | Deposit date: | 2000-04-10 | | Release date: | 2001-04-05 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Substrate Specificity in Glycoside Hydrolase Family 10. Structural and Kinetic Analysis of the Streptomyces Lividans Xylanase 10A
J.Biol.Chem., 275, 2000
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1DZZ
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1I91
 | | CARBONIC ANHYDRASE II COMPLEXED WITH AL-6619 2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE, 2-(3-HYDROXYPHENYL)-3-(4-MORPHOLINYL)-, 1,1-DIOXIDE | | Descriptor: | 6-[N-(3-HYDROXY-PHENYL)-3-(MORPHOLIN-4-YLMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | | Authors: | Kim, C.-Y, Chang, J.S, Liao, J, May, J.A, Christianson, D.W. | | Deposit date: | 2001-03-16 | | Release date: | 2001-03-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural aspects of isozyme selectivity in the binding of inhibitors to carbonic anhydrases II and IV.
J.Med.Chem., 45, 2002
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5PZQ
 | | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid | | Descriptor: | 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid, Fructose-1,6-bisphosphatase 1 | | Authors: | Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K. | | Deposit date: | 2017-04-16 | | Release date: | 2019-01-09 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the
allosteric inhibitor 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
To be published
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5Q07
 | | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(4-bromo-6-morpholin-4-ylpyridin-2-yl)-3-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonylurea | | Descriptor: | Fructose-1,6-bisphosphatase 1, N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide | | Authors: | Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K. | | Deposit date: | 2017-04-16 | | Release date: | 2019-01-09 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.424 Å) | | Cite: | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the
allosteric inhibitor 1-(4-bromo-6-morpholin-4-ylpyridin-2-yl)-3-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonylurea
To be published
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3LW2
 | | Mouse Plasminogen Activator Inhibitor-1 (PAI-1) | | Descriptor: | Plasminogen activator inhibitor 1 | | Authors: | Dewilde, M, Van De Craen, B, Compernolle, G, Madsen, J.B, Strelkov, S.V, Gils, A, Declerck, P.J. | | Deposit date: | 2010-02-23 | | Release date: | 2010-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Subtle structural differences between human and mouse PAI-1 reveal the basis for biochemical differences.
J.Struct.Biol., 171, 2010
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1YRO
 | | Crystal structure of beta14,-galactosyltransferase mutant ARG228Lys in complex with alpha-lactalbumin in the presence of UDP-galactose and Mn | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ALPHA-LACTALBUMIN, BETA-1,4-GALACTOSYLTRANSFERASE, ... | | Authors: | Ramakrishnan, B, Boeggeman, E, Qasba, P.K. | | Deposit date: | 2005-02-04 | | Release date: | 2005-03-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mutation of Arginine 228 to Lysine Enhances the Glucosyltransferase Activity of Bovine beta-1,4-Galactosyltransferase I
Biochemistry, 44, 2005
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2JYL
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1YUC
 | | Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to Phospholipid and a Fragment of Human SHP | | Descriptor: | GLYCEROL, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor 0B2, ... | | Authors: | Ortlund, E.A, Yoonkwang, L, Solomon, I.H, Hager, J.M, Safi, R, Choi, Y, Guan, Z, Tripathy, A, Raetz, C.R.H, McDonnell, D.P, Moore, D.D, Redinbo, M.R. | | Deposit date: | 2005-02-13 | | Release date: | 2005-03-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Modulation of human nuclear receptor LRH-1 activity by phospholipids and SHP
Nat.Struct.Mol.Biol., 12, 2005
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1UH2
 | | Thermoactinomyces vulgaris R-47 alpha-amylase/malto-hexaose complex | | Descriptor: | CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Abe, A, Tonozuka, T, Sakano, Y, Kamitori, S. | | Deposit date: | 2003-06-23 | | Release date: | 2004-01-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Complex Structures of Thermoactinomyces vulgaris R-47 alpha-Amylase 1 with Malto-oligosaccharides Demonstrate the Role of Domain N Acting as a Starch-binding Domain
J.Mol.Biol., 335, 2004
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2JVN
 | | Domain C of human PARP-1 | | Descriptor: | Poly [ADP-ribose] polymerase 1, ZINC ION | | Authors: | Hoffman, D, Tao, Z, Liu, H. | | Deposit date: | 2007-09-24 | | Release date: | 2008-05-13 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Domain C of human poly(ADP-ribose) polymerase-1 is important for enzyme activity and contains a novel zinc-ribbon motif.
Biochemistry, 47, 2008
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3M2M
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1D3C
 | | MICHAELIS COMPLEX OF BACILLUS CIRCULANS STRAIN 251 CYCLODEXTRIN GLYCOSYLTRANSFERASE WITH GAMMA-CYCLODEXTRIN | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CYCLODEXTRIN GLYCOSYLTRANSFERASE, ... | | Authors: | Uitdehaag, J.C.M, Kalk, K.H, van der Veen, B.A, Dijkhuizen, L, Dijkstra, B.W. | | Deposit date: | 1999-09-29 | | Release date: | 1999-12-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | The cyclization mechanism of cyclodextrin glycosyltransferase (CGTase) as revealed by a gamma-cyclodextrin-CGTase complex at 1.8-A resolution.
J.Biol.Chem., 274, 1999
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2NLB
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2NLG
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1INW
 | | A SIALIC ACID DERIVED PHOSPHONATE ANALOG INHIBITS DIFFERENT STRAINS OF INFLUENZA VIRUS NEURAMINIDASE WITH DIFFERENT EFFICIENCIES | | Descriptor: | (1S)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | White, C.L, Janakiraman, M.N, Laver, W.G, Philippon, C, Vasella, A, Air, G.M, Luo, M. | | Deposit date: | 1994-09-26 | | Release date: | 1995-02-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A sialic acid-derived phosphonate analog inhibits different strains of influenza virus neuraminidase with different efficiencies.
J.Mol.Biol., 245, 1995
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1DZV
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3ME3
 | | Activator-Bound Structure of Human Pyruvate Kinase M2 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 3-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}aniline, Pyruvate kinase isozymes M1/M2, ... | | Authors: | Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-03-31 | | Release date: | 2010-04-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Pyruvate kinase M2 activators promote tetramer formation and suppress tumorigenesis.
Nat.Chem.Biol., 8, 2012
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