2JXX
 
 | | NMR solution structure of Ubiquitin-like domain of NFATC2IP. Northeast Structural Genomics Consortium target HR5627 | | Descriptor: | NFATC2-interacting protein | | Authors: | Doherty, R.S, Dhe-Paganon, S, Fares, C, Lemak, A, Butler, C, Srisailam, S, Karra, M, Yee, A, Edwards, A.M, Weigelt, J, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC) | | Deposit date: | 2007-11-30 | | Release date: | 2007-12-11 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of Ubiquitin-like domain of NFATC2IP.
TO BE PUBLISHED
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3A4O
 | | Lyn kinase domain | | Descriptor: | STAUROSPORINE, Tyrosine-protein kinase Lyn | | Authors: | Miyano, N, Kinoshita, T, Tada, T. | | Deposit date: | 2009-07-11 | | Release date: | 2009-12-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for the inhibitor recognition of human Lyn kinase domain
Bioorg.Med.Chem.Lett., 19, 2009
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2VT0
 | | X-ray structure of a conjugate with conduritol-beta-epoxide of acid-beta-glucosidase overexpressed in cultured plant cells | | Descriptor: | (1R,2R,3S,4S,5S,6S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL, GLUCOSYLCERAMIDASE, SULFATE ION, ... | | Authors: | Brumshtein, B, Greenblatt, H.M, Shaaltiel, Y, Aviezer, D, Silman, I, Futerman, A.H, Sussman, J.L. | | Deposit date: | 2008-05-03 | | Release date: | 2008-09-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Acid Beta-Glucosidase: Insights from Structural Analysis and Relevance to Gaucher Disease Therapy.
Biol.Chem., 389, 2008
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3A80
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2W1G
 | | Structure determination of Aurora Kinase in complex with inhibitor | | Descriptor: | 2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-6-(MORPHOLIN-4-IUM-4-YLMETHYL)-1H-3,1-BENZIMIDAZOL-3-IUM, SERINE/THREONINE-PROTEIN KINASE 6 | | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | | Deposit date: | 2008-10-17 | | Release date: | 2009-01-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
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3A8C
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2J7J
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2WEG
 | | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | | Descriptor: | 2-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, GLYCEROL, ... | | Authors: | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | | Deposit date: | 2009-03-31 | | Release date: | 2009-11-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
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2W86
 | | Crystal structure of fibrillin-1 domains cbEGF9hyb2cbEGF10, calcium saturated form | | Descriptor: | CALCIUM ION, FIBRILLIN-1, IODIDE ION | | Authors: | Jensen, S.A, Iqbal, S, Lowe, E.D, Redfield, C, Handford, P.A. | | Deposit date: | 2009-01-09 | | Release date: | 2009-05-26 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure and Interdomain Interactions of a Hybrid Domain: A Disulphide-Rich Module of the Fibrillin/Ltbp Superfamily of Matrix Proteins.
Structure, 17, 2009
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2VOM
 | | Structural basis of human triosephosphate isomerase deficiency. Mutation E104D and correlation to solvent perturbation. | | Descriptor: | TRIOSEPHOSPHATE ISOMERASE | | Authors: | Rodriguez-Almazan, C, Arreola-Alemon, R, Rodriguez-Larrea, D, Aguirre-Lopez, B, de Gomez-Puyou, M.T, Perez-Montfort, R, Costas, M, Gomez-Puyou, A, Torres-Larios, A. | | Deposit date: | 2008-02-19 | | Release date: | 2008-06-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Basis of Human Triosephosphate Isomerase Deficiency: Mutation E104D is Related to Alterations of a Conserved Water Network at the Dimer Interface.
J.Biol.Chem., 283, 2008
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3F28
 | | Thermolysin inhibition | | Descriptor: | 2-[(cyclopropylcarbonyl)oxy]-3-methylbenzoic acid, CALCIUM ION, Thermolysin, ... | | Authors: | Englert, L, Heine, A, Klebe, G. | | Deposit date: | 2008-10-29 | | Release date: | 2009-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Fragment-Based Lead Discovery: Screening and Optimizing Fragments for Thermolysin Inhibition.
Chemmedchem, 5, 2010
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2IUX
 | | Human tACE mutant g1234 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ANGIOTENSIN-CONVERTING ENZYME, ... | | Authors: | Watermeyer, J.M, Swell, B.T, Natesh, R, Corradi, H.R, Acharya, K.R, Sturrock, E.D. | | Deposit date: | 2006-06-07 | | Release date: | 2006-10-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of Testis Ace Glycosylation Mutants and Evidence for Conserved Domain Movement.
Biochemistry, 45, 2006
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3FB0
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3FBO
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2W5Z
 | | Ternary Complex of the Mixed Lineage Leukaemia (MLL1) SET Domain with the cofactor product S-Adenosylhomocysteine and histone peptide. | | Descriptor: | GLYCEROL, HISTONE PEPTIDE, HISTONE-LYSINE N-METHYLTRANSFERASE HRX, ... | | Authors: | Southall, S.M, Wong, P.S, Odho, Z, Roe, S.M, Wilson, J.R. | | Deposit date: | 2008-12-15 | | Release date: | 2009-02-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis for the Requirement of Additional Factors for Mll1 Set Domain Activity and Recognition of Epigenetic Marks.
Mol.Cell, 33, 2009
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2J1G
 | | L-ficolin complexed to N-acetyl-cystein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | | Authors: | Garlatti, V, Gaboriaud, C. | | Deposit date: | 2006-08-11 | | Release date: | 2007-01-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural Insights Into the Innate Immune Recognition Specificities of L- and H-Ficolins.
Embo J., 26, 2007
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2VWY
 | | ephB4 kinase domain inhibitor complex | | Descriptor: | EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine | | Authors: | Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Leach, A.G, Kettle, J.G. | | Deposit date: | 2008-06-30 | | Release date: | 2008-10-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Inhibitors of the Tyrosine Kinase Ephb4. Part 2: Structure-Based Discovery and Optimisation of 3,5-Bis Substituted Anilinopyrimidines.
Bioorg.Med.Chem.Lett., 18, 2008
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3APN
 | | Crystal structure of the human wild-type PAD4 protein | | Descriptor: | Protein-arginine deiminase type-4 | | Authors: | Horikoshi, N, Tachiwana, H, Saito, K, Osakabe, A, Sato, M, Yamada, M, Akashi, S, Nishimura, Y, Kagawa, W, Kurumizaka, H. | | Deposit date: | 2010-10-19 | | Release date: | 2011-01-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and biochemical analyses of the human PAD4 variant encoded by a functional haplotype gene
Acta Crystallogr.,Sect.D, 67, 2011
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2W08
 | | The structure of serum amyloid P component bound to 0-phospho- threonine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PHOSPHOTHREONINE, ... | | Authors: | Kolstoe, S.E, Pepys, M.B, Wood, S.P. | | Deposit date: | 2008-08-12 | | Release date: | 2009-04-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular Dissection of Alzheimer'S Disease Neuropathology by Depletion of Serum Amyloid P Component.
Proc.Natl.Acad.Sci.USA, 106, 2009
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2VT5
 | | FRUCTOSE-1,6-BISPHOSPHATASE(D-FRUCTOSE-1,6-BISPHOSPHATE -1- PHOSPHOHYDROLASE) (E.C.3.1.3.11) COMPLEXED WITH A DUAL BINDING AMP SITE INHIBITOR | | Descriptor: | 4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDE, FRUCTOSE-1,6-BISPHOSPHATASE 1 | | Authors: | Ruf, A, Joseph, C, Benz, J, Fol, B, Tetaz, T. | | Deposit date: | 2008-05-09 | | Release date: | 2008-07-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Allosteric Fbpase Inhibitors Gain 10(5) Times in Potency When Simultaneously Binding Two Neighboring AMP Sites.
Bioorg.Med.Chem.Lett., 18, 2008
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3FM4
 | | Crystal Structure Analysis of Fungal Versatile Peroxidase from Pleurotus eryngii | | Descriptor: | CACODYLATE ION, CALCIUM ION, FE (III) ION, ... | | Authors: | Piontek, K, Martinez, A.T, Choinowski, T, Plattner, D.A. | | Deposit date: | 2008-12-19 | | Release date: | 2009-12-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structural and Site-directed Mutagenesis Study of Versatile Peroxidase Oxidizing both Mn(II) and Aromatic Substrates
To be Published
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2VSR
 | | hPPARgamma Ligand binding domain in complex with 9-(S)-HODE | | Descriptor: | (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | | Authors: | Itoh, T, Fairall, L, Schwabe, J.W.R. | | Deposit date: | 2008-04-29 | | Release date: | 2008-08-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
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3FXS
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2W1E
 | | Structure determination of Aurora Kinase in complex with inhibitor | | Descriptor: | 4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-5-YL)METHYL]MORPHOLIN-4-IUM, SERINE/THREONINE-PROTEIN KINASE 6 | | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | | Deposit date: | 2008-10-17 | | Release date: | 2009-01-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
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3G01
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