2W1D
 
 | | Structure determination of Aurora Kinase in complex with inhibitor | | Descriptor: | 2-(1H-pyrazol-3-yl)-1H-benzimidazole, 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 (2.97 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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5QHL
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000551a | | Descriptor: | 1,2-ETHANEDIOL, IODIDE ION, Protein FAM83B, ... | | Authors: | Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N. | | Deposit date: | 2018-05-18 | | Release date: | 2018-12-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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1D03
 | | REFINED STRUCTURES OF OXIDIZED FLAVODOXIN FROM ANACYSTIS NIDULANS | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | | Authors: | Drennan, C.L, Pattridge, K.A, Weber, C.H, Metzger, A.L, Hoover, D.M, Ludwig, M.L. | | Deposit date: | 1999-09-08 | | Release date: | 1999-12-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Refined structures of oxidized flavodoxin from Anacystis nidulans.
J.Mol.Biol., 294, 1999
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1CZH
 | | COMPARISONS OF WILD TYPE AND MUTANT FLAVODOXINS FROM ANACYSTIS NIDULANS. STRUCTURAL DETERMINANTS OF THE REDOX POTENTIALS. | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN, GLYCEROL, ... | | Authors: | Hoover, D.M, Drennan, C.L, Metzger, A.L, Osborne, C, Weber, C.H, Pattridge, K.A, Ludwig, M.L. | | Deposit date: | 1999-09-03 | | Release date: | 1999-12-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Comparisons of wild-type and mutant flavodoxins from Anacystis nidulans. Structural determinants of the redox potentials.
J.Mol.Biol., 294, 1999
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1CZR
 | | COMPARISONS OF WILD TYPE AND MUTANT FLAVODOXINS FROM ANACYSTIS NIDULANS. STRUCTURAL DETERMINANTS OF THE REDOX POTENTIALS. | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | | Authors: | Hoover, D.M, Drennan, C.L, Metzger, A.L, Osborne, C, Weber, C.H, Pattridge, K.A, Ludwig, M.L. | | Deposit date: | 1999-09-07 | | Release date: | 1999-12-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Comparisons of wild-type and mutant flavodoxins from Anacystis nidulans. Structural determinants of the redox potentials.
J.Mol.Biol., 294, 1999
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1D04
 | | COMPARISONS OF WILD TYPE AND MUTANT FLAVODOXINS FROM ANACYSTIS NIDULANS. STRUCTURAL DETERMINANTS OF THE REDOX POTENTIALS. | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | | Authors: | Hoover, D.M, Drennan, C.L, Metzger, A.L, Osborne, C, Weber, C.H, Pattridge, K.A, Ludwig, M.L. | | Deposit date: | 1999-09-08 | | Release date: | 1999-12-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Comparisons of wild-type and mutant flavodoxins from Anacystis nidulans. Structural determinants of the redox potentials.
J.Mol.Biol., 294, 1999
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8TXL
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2VTL
 | | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, N-phenyl-1H-pyrazole-3-carboxamide | | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | | Deposit date: | 2008-05-15 | | Release date: | 2008-08-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
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2VTS
 | | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | | Descriptor: | 5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | | Deposit date: | 2008-05-15 | | Release date: | 2008-08-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
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2W1F
 | | Structure determination of Aurora Kinase in complex with inhibitor | | Descriptor: | N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE, 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 (2.85 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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5QHR
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000635a | | Descriptor: | 1,2-ETHANEDIOL, N-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine, Protein FAM83B | | Authors: | Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N. | | Deposit date: | 2018-05-18 | | Release date: | 2018-12-19 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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8TX9
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1TS5
 | | I140T MUTANT OF TOXIC SHOCK SYNDROME TOXIN-1 FROM S. AUREUS | | Descriptor: | TOXIC SHOCK SYNDROME TOXIN-1 | | Authors: | Earhart, C.A, Mitchell, D.T, Murray, D.L, Pinheiro, D.M, Matsumura, M, Schlievert, P.M, Ohlendorf, D.H. | | Deposit date: | 1997-10-10 | | Release date: | 1998-12-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structures of five mutants of toxic shock syndrome toxin-1 with reduced biological activity.
Biochemistry, 37, 1998
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1TZ3
 | | crystal structure of aminoimidazole riboside kinase complexed with aminoimidazole riboside | | Descriptor: | 5-AMINOIMIDAZOLE RIBONUCLEOSIDE, POTASSIUM ION, putative sugar kinase | | Authors: | Zhang, Y, Dougherty, M, Downs, D.M, Ealick, S.E. | | Deposit date: | 2004-07-09 | | Release date: | 2004-10-12 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of an Aminoimidazole Riboside Kinase from Salmonella enterica; Implications for the Evolution of the Ribokinase Superfamily
STRUCTURE, 12, 2004
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1CZO
 | | COMPARISONS OF WILD TYPE AND MUTANT FLAVODOXINS FROM ANACYSTIS NIDULANS. STRUCTURAL DETERMINANTS OF THE REDOX POTENTIALS. | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN, SULFATE ION | | Authors: | Hoover, D.M, Drennan, C.L, Metzger, A.L, Osborne, C, Weber, C.H, Pattridge, K.A, Ludwig, M.L. | | Deposit date: | 1999-09-03 | | Release date: | 1999-12-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Comparisons of wild-type and mutant flavodoxins from Anacystis nidulans. Structural determinants of the redox potentials.
J.Mol.Biol., 294, 1999
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4HMN
 | | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with (4-(4-Chlorophenyl)piperazin-1-yl)(morpholino)methanone (24) | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Turnbull, A.P, Flanagan, J.U, Atwell, G.J, Heinrich, D.M, Jamieson, S.M.F, Brooke, D.G, Silva, S, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Denny, W.A. | | Deposit date: | 2012-10-18 | | Release date: | 2013-11-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Morpholylureas are a new class of potent and selective inhibitors of the type 5 17-beta-hydroxysteroid dehydrogenase (AKR1C3).
Bioorg.Med.Chem., 22, 2014
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1TOT
 | | ZZ Domain of CBP- a Novel Fold for a Protein Interaction Module | | Descriptor: | CREB-binding protein, ZINC ION | | Authors: | Legge, G.B, Martinez-Yamout, M.A, Hambly, D.M, Trinh, T, Dyson, H.J, Wright, P.E. | | Deposit date: | 2004-06-15 | | Release date: | 2005-01-18 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | ZZ domain of CBP: an unusual zinc finger fold in a protein interaction module
J.Mol.Biol., 343, 2004
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1DA2
 | | MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGMO4CG): N4-METHOXYCYTOSINE/GUANINE BASE-PAIRS IN Z-DNA | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*(C45)P*G)-3') | | Authors: | Van Meervelt, L, Moore, M.H, Lin, P.K.T, Brown, D.M, Kennard, O. | | Deposit date: | 1992-10-17 | | Release date: | 1993-07-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular and crystal structure of d(CGCGmo4CG): N4-methoxycytosine.guanine base-pairs in Z-DNA.
J.Mol.Biol., 216, 1990
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1U5Y
 | | Crystal structure of murine APRIL, pH 8.0 | | Descriptor: | Tumor necrosis factor ligand superfamily member 13 | | Authors: | Wallweber, H.J, Compaan, D.M, Starovasnik, M.A, Hymowitz, S.G. | | Deposit date: | 2004-07-28 | | Release date: | 2004-10-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Crystal Structure of A Proliferation-inducing Ligand, APRIL.
J.Mol.Biol., 343, 2004
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6M80
 | | Collagen peptide containing aza-proline and aza-glycine | | Descriptor: | 1,2-ETHANEDIOL, Collagen peptide containing aza-proline and aza-glycine, SULFATE ION | | Authors: | Chenoweth, D.M, Kasznel, A.J, Porter, N.J. | | Deposit date: | 2018-08-21 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Aza-proline effectively mimics l-proline stereochemistry in triple helical collagen.
Chem Sci, 10, 2019
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8X4N
 | | Crystal structure of the PI3P-binding domain of Legionella SetA in complex with inositol 1,3-bisphosphate | | Descriptor: | GLYCEROL, PHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-5-PHOSPHONOOXY-CYCLOHEXYL) ESTER, Subversion of eukaryotic traffic protein A | | Authors: | Im, H.N, Lee, Y, Jang, D.M, Hahn, H, Kim, H.S. | | Deposit date: | 2023-11-15 | | Release date: | 2025-02-19 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Crystal structure of the PI3P-binding domain of Legionella SetA in complex with inositol 1,3-bisphosphate
To Be Published
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8X4K
 | | Crystal structure of the glycosyltransferase domain of Legionella SetA in complex with UPDGlc | | Descriptor: | MAGNESIUM ION, SULFATE ION, Subversion of eukaryotic traffic protein A, ... | | Authors: | Im, H.N, Lee, Y, Jang, D.M, Hahn, H, Kim, H.S. | | Deposit date: | 2023-11-15 | | Release date: | 2025-02-19 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the glycosyltransferase domain of Legionella SetA in complex with UPDGlc
To Be Published
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8X4J
 | | Crystal structure of the glycosyltransferase domain of Legionella SetA (unbound) | | Descriptor: | MAGNESIUM ION, Subversion of eukaryotic traffic protein A | | Authors: | Im, H.N, Lee, Y, Jang, D.M, Hahn, H, Kim, H.S. | | Deposit date: | 2023-11-15 | | Release date: | 2025-02-19 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Crystal structure of Legionella effector SetA glycosyltransferase domain in the unbound form
To Be Published
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8X4M
 | | Crystal structure of the glycosyltransferase domain of Legionella SetA in complex with UPD | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Im, H.N, Lee, Y, Jang, D.M, Hahn, H, Kim, H.S. | | Deposit date: | 2023-11-15 | | Release date: | 2025-02-19 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Crystal structure of the glycosyltransferase domain of Legionella SetA in complex with UPD
To Be Published
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1E84
 | | Cytochrome c' from Alcaligenes xylosoxidans - reduced structure | | Descriptor: | CYTOCHROME C', HEME C | | Authors: | Lawson, D.M, Stevenson, C.E.M, Andrew, C.R, Eady, R.R. | | Deposit date: | 2000-09-15 | | Release date: | 2000-11-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Unprecedented Proximal Binding of Nitric Oxide to Heme: Implications for Guanylate Cyclase
Embo J., 19, 2000
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