1LRN
| Aquifex aeolicus KDO8P synthase H185G mutant in complex with Cadmium | Descriptor: | CADMIUM ION, KDO-8-phosphate synthetase, PHOSPHATE ION | Authors: | Wang, J, Duewel, H.S, Stuckey, J.A, Woodard, R.W, Gatti, D.L. | Deposit date: | 2002-05-15 | Release date: | 2002-11-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Function of His185 in Aquifex aeolicus 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase J.Mol.Biol., 324, 2002
|
|
3OAY
| A non-self sugar mimic of the HIV glycan shield shows enhanced antigenicity | Descriptor: | Fab 2G12, heavy chain, light chain, ... | Authors: | Doores, K.J, Fulton, Z, Hong, V, Patel, M.K, Scanlan, C.N, Wormald, M.R, Finn, M.G, Burton, D.R, Wilson, I.A, Davis, B.G. | Deposit date: | 2010-08-05 | Release date: | 2011-01-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A nonself sugar mimic of the HIV glycan shield shows enhanced antigenicity. Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
1BS9
| ACETYLXYLAN ESTERASE FROM P. PURPUROGENUM REFINED AT 1.10 ANGSTROMS | Descriptor: | ACETYL XYLAN ESTERASE, SULFATE ION | Authors: | Ghosh, D, Erman, M, Sawicki, M.W, Lala, P, Weeks, D.R, Li, N, Pangborn, W, Thiel, D.J, Jornvall, H, Eyzaguirre, J. | Deposit date: | 1998-09-01 | Release date: | 1999-05-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Determination of a protein structure by iodination: the structure of iodinated acetylxylan esterase. Acta Crystallogr.,Sect.D, 55, 1999
|
|
3T3E
| Glycogen phosphorylase b in complex with GlcClU | Descriptor: | 5-chloro-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | Authors: | Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2011-07-25 | Release date: | 2012-02-15 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The sigma-Hole Phenomenon of Halogen Atoms Forms the Structural Basis of the Strong Inhibitory Potency of C5 Halogen Substituted Glucopyranosyl Nucleosides towards Glycogen Phosphorylase b Chemmedchem, 7, 2012
|
|
3STF
| Crystal structure of a mutant (S211A) of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION, GLYCEROL, ... | Authors: | Allison, T.M, Jameson, G.B, Gloyne, B.J, Parker, E.J. | Deposit date: | 2011-07-09 | Release date: | 2011-11-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | An Extended (beta)7(alpha)7 Substrate-Binding Loop Is Essential for Efficient Catalysis by 3-Deoxy-D-manno-Octulosonate 8-Phosphate Synthase Biochemistry, 50, 2011
|
|
3P3B
| CRYSTAL STRUCTURE OF Galacturonate DEHYDRATASE FROM GEOBACILLUS SP. COMPLEXED WITH D-TARTRATE | Descriptor: | D(-)-TARTARIC ACID, MAGNESIUM ION, Mandelate racemase/muconate lactonizing protein | Authors: | Fedorov, A.A, Fedorov, E.V, Groninger-Poe, F, Gerlt, J.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-10-04 | Release date: | 2011-06-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.651 Å) | Cite: | CRYSTAL STRUCTURE OF Galacturonate DEHYDRATASE FROM GEOBACILLUS SP. COMPLEXED WITH D-TARTRATE. To be Published
|
|
1OI6
| Structure determination of the TMP-complex of EvaD | Descriptor: | GLYCEROL, PCZA361.16, THYMIDINE-5'-PHOSPHATE | Authors: | Merkel, A.B, Naismith, J.H. | Deposit date: | 2003-06-09 | Release date: | 2004-06-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Position of a Key Tyrosine in Dtdp-4-Keto-6-Deoxy-D-Glucose-5-Epimerase (Evad) Alters the Substrate Profile for This Rmlc-Like Enzyme J.Biol.Chem., 279, 2004
|
|
1YQ4
| Avian respiratory complex ii with 3-nitropropionate and ubiquinone | Descriptor: | 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, 3-NITROPROPANOIC ACID, Coenzyme Q10, ... | Authors: | Huang, L, Sun, G, Cobessi, D, Wang, A, Shen, J.T, Tung, E.Y, Anderson, V.E, Berry, E.A. | Deposit date: | 2005-02-01 | Release date: | 2005-12-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | 3-Nitropropionic Acid Is a Suicide Inhibitor of Mitochondrial Respiration That, upon Oxidation by Complex II, Forms a Covalent Adduct with a Catalytic Base Arginine in the Active Site of the Enzyme J.Biol.Chem., 281, 2006
|
|
3T3I
| Glycogen Phosphorylase b in complex with GlcCF3U | Descriptor: | 1-(beta-D-glucopyranosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | Authors: | Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2011-07-25 | Release date: | 2012-02-15 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | The sigma-Hole Phenomenon of Halogen Atoms Forms the Structural Basis of the Strong Inhibitory Potency of C5 Halogen Substituted Glucopyranosyl Nucleosides towards Glycogen Phosphorylase b Chemmedchem, 7, 2012
|
|
2P53
| Crystal structure of N-acetyl-D-glucosamine-6-phosphate deacetylase D273N mutant complexed with N-acetyl phosphonamidate-d-glucosamine-6-phosphate | Descriptor: | 2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-alpha-D-glucopyranose, N-acetylglucosamine-6-phosphate deacetylase, ZINC ION | Authors: | Fedorov, A.A, Fedorov, E.V, Hall, R.S, Raushel, F.M, Almo, S.C. | Deposit date: | 2007-03-14 | Release date: | 2007-07-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Diversity within the Mononuclear and Binuclear Active Sites of N-Acetyl-d-glucosamine-6-phosphate Deacetylase. Biochemistry, 46, 2007
|
|
1LRO
| Aquifex aeolicus KDO8P synthase H185G mutant in complex with PEP and Cadmium | Descriptor: | CADMIUM ION, KDO-8-phosphate synthetase, PHOSPHATE ION, ... | Authors: | Wang, J, Duewel, H.S, Stuckey, J.A, Woodard, R.W, Gatti, D.L. | Deposit date: | 2002-05-15 | Release date: | 2002-11-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Function of His185 in Aquifex aeolicus 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase J.Mol.Biol., 324, 2002
|
|
3STC
| |
5OS8
| The crystal structure of CK2alpha in complex with compound 11 | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-17 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
|
|
5OTI
| The crystal structure of CK2alpha in complex with compound 27 | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, ~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methyl-1~{H}-benzimidazol-2-yl)ethanamine | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-22 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
|
|
5OTS
| The crystal structure of CK2alpha in complex with an analogue of compound 22 | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)ethyl-[[3,5-bis(chloranyl)-4-phenyl-phenyl]methyl]azanium, Casein kinase II subunit alpha | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-22 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
|
|
5OTY
| The crystal structure of CK2alpha in complex with CAM4712 | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-22 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
|
|
2CDP
| Structure of a CBM6 in complex with neoagarohexaose | Descriptor: | 1,2-ETHANEDIOL, 3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, BETA-AGARASE 1, ... | Authors: | Henshaw, J, Horne, A, Van Bueren, A.L, Money, V.A, Bolam, D.N, Czjzek, M, Weiner, R.M, Hutcheson, S.W, Davies, G.J, Boraston, A.B, Gilbert, H.J. | Deposit date: | 2006-01-26 | Release date: | 2006-02-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Family 6 Carbohydrate Binding Modules in Beta-Agarases Display Exquisite Selectivity for the Non- Reducing Termini of Agarose Chains. J.Biol.Chem., 281, 2006
|
|
4JP2
| Crystal Structure of TT0495 protein from Thermus thermophilus HB8 | Descriptor: | 2-deoxy-D-gluconate 3-dehydrogenase | Authors: | Pampa, K.J, Lokanath, N.K, Kunishima, N, Ravishnkar Rai, V. | Deposit date: | 2013-03-19 | Release date: | 2014-03-19 | Last modified: | 2014-08-13 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | The first crystal structure of NAD-dependent 3-dehydro-2-deoxy-D-gluconate dehydrogenase from Thermus thermophilus HB8 Acta Crystallogr.,Sect.D, 70, 2014
|
|
5OS7
| The crystal structure of CK2alpha in complex with compound 4 | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-17 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
|
|
3B8X
| Crystal structure of GDP-4-keto-6-deoxymannose-3-dehydratase (ColD) H188N mutant with bound GDP-perosamine | Descriptor: | 1,2-ETHANEDIOL, Pyridoxamine 5-phosphate-dependent dehydrase, SODIUM ION, ... | Authors: | Cook, P.D, Holden, H.M. | Deposit date: | 2007-11-02 | Release date: | 2007-11-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | GDP-4-Keto-6-deoxy-D-mannose 3-Dehydratase, Accommodating a Sugar Substrate in the Active Site. J.Biol.Chem., 283, 2008
|
|
5OSZ
| The crystal structure of CK2alpha in complex with compound 23 | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)ethyl-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]azanium, ACETATE ION, Casein kinase II subunit alpha | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-18 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
|
|
5OT6
| The crystal structure of CK2alpha in complex with compound 19 | Descriptor: | (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-pyrrol-2-yl)ethyl]azanium, ACETATE ION, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-21 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
|
|
5OTL
| The crystal structure of CK2alpha in complex with compound 29 | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-22 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
|
|
5OUM
| The crystal structure of CK2alpha in complex with compound 21 | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-(1~{H}-imidazol-2-yl)ethanamine | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-24 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
|
|
1L8G
| Crystal structure of PTP1B complexed with 7-(1,1-Dioxo-1H-benzo[d]isothiazol-3-yloxymethyl)-2-(oxalyl-amino)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid | Descriptor: | 7-(1,1-DIOXO-1H-BENZO[D]ISOTHIAZOL-3-YLOXYMETHYL)-2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID, PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1 | Authors: | Iversen, L.F, Andersen, H.S, Moller, K.B, Olsen, O.H, Peters, G.H, Branner, S, Mortensen, S.B, Hansen, T.K, Lau, J, Ge, Y, Holsworth, D.D, Newman, M.J, Moller, N.P.H. | Deposit date: | 2002-03-20 | Release date: | 2002-05-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Steric hindrance as a basis for structure-based design of selective inhibitors of protein-tyrosine phosphatases. Biochemistry, 40, 2001
|
|