3GEI
 
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3HKX
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8OQB
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3CTI
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5OO0
 | | Cdk2(WT) covalent adduct with D28 at C177 | | Descriptor: | Cyclin-dependent kinase 2, methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate | | Authors: | Craven, G, Morgan, R.M.L, Mann, D.J. | | Deposit date: | 2017-08-04 | | Release date: | 2018-03-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | High-Throughput Kinetic Analysis for Target-Directed Covalent Ligand Discovery.
Angew. Chem. Int. Ed. Engl., 57, 2018
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2XTT
 | | Bovine trypsin in complex with evolutionary enhanced Schistocerca gregaria protease inhibitor 1 (SGPI-1-P02) | | Descriptor: | ACETATE ION, CALCIUM ION, CATIONIC TRYPSIN, ... | | Authors: | Wahlgren, W.Y, Pal, G, Kardos, J, Porrogi, P, Szenthe, B, Patthy, A, Graf, L, Katona, G. | | Deposit date: | 2010-10-12 | | Release date: | 2010-11-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | The catalytic aspartate is protonated in the Michaelis complex formed between trypsin and an in vitro evolved substrate-like inhibitor: a refined mechanism of serine protease action.
J.Biol.Chem., 286, 2011
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5ONC
 | | Catabolism of the Cholesterol Side Chain in Mycobacterium tuberculosis is Controlled by a Redox-Sensitive Thiol Switch | | Descriptor: | CHLORIDE ION, Steroid 3-ketoacyl-CoA thiolase | | Authors: | Schaefer, C, Kuper, J, Sampson, N.S, Kisker, C. | | Deposit date: | 2017-08-03 | | Release date: | 2017-08-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Catabolism of the Cholesterol Side Chain in Mycobacterium tuberculosis Is Controlled by a Redox-Sensitive Thiol Switch.
ACS Infect Dis, 3, 2017
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5OSJ
 | | Cdk2(WT) with covalent adduct at C177 | | Descriptor: | Cyclin-dependent kinase 2, ~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate | | Authors: | Craven, G, Morgan, R.M.L, Mann, D.J. | | Deposit date: | 2017-08-17 | | Release date: | 2018-03-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | High-Throughput Kinetic Analysis for Target-Directed Covalent Ligand Discovery.
Angew. Chem. Int. Ed. Engl., 57, 2018
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1HJ9
 | | Atomic resolution structures of trypsin provide insight into structural radiation damage | | Descriptor: | ANILINE, BETA-TRYPSIN, CALCIUM ION, ... | | Authors: | Leiros, H.-K.S, McSweeney, S.M, Smalas, A.O. | | Deposit date: | 2001-01-10 | | Release date: | 2002-01-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Atomic Resolution Structure of Trypsin Provide Insight Into Structural Radiation Damage
Acta Crystallogr.,Sect.D, 57, 2001
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1MCV
 | | Crystal Structure Analysis of a Hybrid Squash Inhibitor in Complex with Porcine Pancreatic Elastase | | Descriptor: | CALCIUM ION, Elastase 1, HEI-TOE I, ... | | Authors: | Ay, J, Hilpert, K, Krauss, N, Schneider-Mergener, J, Hoehne, W. | | Deposit date: | 2002-08-06 | | Release date: | 2003-02-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of a hybrid squash inhibitor in complex with porcine pancreatic elastase at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
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1GM6
 | | 3-D STRUCTURE OF A SALIVARY LIPOCALIN FROM BOAR | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, GLYCEROL, ... | | Authors: | Spinelli, S, Vincent, F, Pelosi, P, Tegoni, M, Cambillau, C. | | Deposit date: | 2001-09-11 | | Release date: | 2002-05-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Boar Salivary Lipocalin. Three-Dimensional X-Ray Structure and Androsterol/Androstenone Docking Simulations.
Eur.J.Biochem., 269, 2002
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8B4L
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7AO2
 | | Crystal structure of CotB2 variant W288G in complex with alendronate | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, CHLORIDE ION, ... | | Authors: | Dimos, N, Driller, R, Loll, B. | | Deposit date: | 2020-10-13 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The Impression of a Nonexisting Catalytic Effect: The Role of CotB2 in Guiding the Complex Biosynthesis of Cyclooctat-9-en-7-ol.
J.Am.Chem.Soc., 142, 2020
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7AO3
 | | Crystal structure of CotB2 variant F149L in complex with alendronate | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, CHLORIDE ION, ... | | Authors: | Dimos, N, Driller, R, Loll, B. | | Deposit date: | 2020-10-13 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The Impression of a Nonexisting Catalytic Effect: The Role of CotB2 in Guiding the Complex Biosynthesis of Cyclooctat-9-en-7-ol.
J.Am.Chem.Soc., 142, 2020
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7AO0
 | | Crystal structure of CotB2 variant F107A in complex with alendronate | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, CHLORIDE ION, ... | | Authors: | Dimos, N, Driller, R, Loll, B. | | Deposit date: | 2020-10-13 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | The Impression of a Nonexisting Catalytic Effect: The Role of CotB2 in Guiding the Complex Biosynthesis of Cyclooctat-9-en-7-ol.
J.Am.Chem.Soc., 142, 2020
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7AO1
 | | Crystal structure of CotB2 variant W288F in complex with alendronate | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, CHLORIDE ION, ... | | Authors: | Dimos, N, Driller, R, Loll, B. | | Deposit date: | 2020-10-13 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Impression of a Nonexisting Catalytic Effect: The Role of CotB2 in Guiding the Complex Biosynthesis of Cyclooctat-9-en-7-ol.
J.Am.Chem.Soc., 142, 2020
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2MR8
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3KV0
 | | Crystal structure of HET-C2: A FUNGAL GLYCOLIPID TRANSFER PROTEIN (GLTP) | | Descriptor: | HET-C2 | | Authors: | Simanshu, D.K, Kenoth, R, Brown, R.E, Patel, D.J. | | Deposit date: | 2009-11-28 | | Release date: | 2010-02-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural determination and tryptophan fluorescence of heterokaryon incompatibility C2 protein (HET-C2), a fungal glycolipid transfer protein (GLTP), provide novel insights into glycolipid specificity and membrane interaction by the GLTP fold.
J.Biol.Chem., 285, 2010
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6I7R
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6I7Q
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6GGJ
 | | Crystal structure of CotB2 in complex with alendronate | | Descriptor: | 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, Cyclooctat-9-en-7-ol synthase, MAGNESIUM ION | | Authors: | Driller, R, Janke, S, Fuchs, M, Warner, E, Mhashal, A.R, Major, D.T, Christmann, M, Brueck, T, Loll, B. | | Deposit date: | 2018-05-03 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Towards a comprehensive understanding of the structural dynamics of a bacterial diterpene synthase during catalysis.
Nat Commun, 9, 2018
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2KXG
 | | The solution structure of the squash aspartic acid proteinase inhibitor (SQAPI) | | Descriptor: | Aspartic protease inhibitor | | Authors: | Headey, S.J, Macaskill, U.K, Wright, M, Claridge, J.K, Edwards, P.J.B, Farley, P.C, Christeller, J.T, Laing, W.A, Pascal, S.M. | | Deposit date: | 2010-05-05 | | Release date: | 2010-06-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the squash aspartic acid proteinase inhibitor (SQAPI) and mutational analysis of pepsin inhibition.
J.Biol.Chem., 285, 2010
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2MR7
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6D0F
 | | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with 3OHTPE and GRIP Peptide | | Descriptor: | 4,4',4''-[(2R)-butane-1,1,2-triyl]triphenol, Estrogen receptor, GRIP Peptide | | Authors: | Fanning, S.W, Han, R, Maximov, P, Jordan, V.C, Greene, G.L. | | Deposit date: | 2018-04-10 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with 3OHTPE and GRIP Peptide
To Be Published
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5PBV
 | | PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 16) | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B | | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2017-02-03 | | Release date: | 2017-03-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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