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4HJS	Kinetic stabilization of transthyretin through covalent modification of K15 by (E)-N-(4-(4-hydroxy-3,5-dimethylstyryl)ethanesulfonamide Descriptor: N-{4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}ethanesulfonamide, Transthyretin Authors: Connelly, S, Wilson, I.A. Deposit date: 2012-10-14 Release date: 2013-12-04 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.22 Å) Cite: Stilbene vinyl sulfonamides as fluorogenic sensors of and traceless covalent kinetic stabilizers of transthyretin that prevent amyloidogenesis. J.Am.Chem.Soc., 135, 2013
3QR5	Structure of the first domain of a cardiac Ryanodine Receptor mutant with exon 3 deleted Descriptor: Cardiac Ca2+ release channel Authors: Lobo, P.A, Van Petegem, F. Deposit date: 2011-02-17 Release date: 2011-06-08 Last modified: 2023-07-26 Method: X-RAY DIFFRACTION (2.3 Å) Cite: The deletion of exon 3 in the cardiac ryanodine receptor is rescued by beta strand switching. Structure, 19, 2011
4HIS	The Structure of V122I Mutant Transthyretin in Complex with Tafamidis Descriptor: 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin Authors: Connelly, S, Alhamadsheh, M, Graef, I, Wilson, I.A. Deposit date: 2012-10-11 Release date: 2013-06-05 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.2 Å) Cite: AG10 inhibits amyloidogenesis and cellular toxicity of the familial amyloid cardiomyopathy-associated V122I transthyretin. Proc.Natl.Acad.Sci.USA, 110, 2013
4HJU	Transthyretin in complex with (E)-N-(3-(4-hydroxy-3,5-dimethylstyryl)phenyl)acrylamide Descriptor: N-{3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}prop-2-enamide, Transthyretin Authors: Connelly, S, Wilson, I.A. Deposit date: 2012-10-14 Release date: 2013-12-04 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Stilbene vinyl sulfonamides as fluorogenic sensors of and traceless covalent kinetic stabilizers of transthyretin that prevent amyloidogenesis. J.Am.Chem.Soc., 135, 2013
1AV2	Gramicidin A/CsCl complex, active as a dimer Descriptor: CESIUM ION, CHLORIDE ION, GRAMICIDIN A, ... Authors: Burkhart, B.M, Li, N, Langs, D.A, Duax, W.L. Deposit date: 1997-09-23 Release date: 1998-07-01 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.4 Å) Cite: The Conducting Form of Gramicidin a is a Right-Handed Double-Stranded Double Helix. Proc.Natl.Acad.Sci.USA, 95, 1998
5U0D	Identification of a New Zinc Binding Chemotype by Fragment Screening Descriptor: (5R)-5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one, Carbonic anhydrase 2, GLYCEROL, ... Authors: Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. Deposit date: 2016-11-23 Release date: 2017-08-30 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.59 Å) Cite: Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
1BNS	STRUCTURAL STUDIES OF BARNASE MUTANTS Descriptor: BARNASE Authors: Chen, Y.W. Deposit date: 1994-04-11 Release date: 1994-06-22 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Contribution of buried hydrogen bonds to protein stability. The crystal structures of two barnase mutants. J.Mol.Biol., 234, 1993
1BRS	PROTEIN-PROTEIN RECOGNITION: CRYSTAL STRUCTURAL ANALYSIS OF A BARNASE-BARSTAR COMPLEX AT 2.0-A RESOLUTION Descriptor: BARNASE, BARSTAR Authors: Buckle, A.M, Schreiber, G, Fersht, A.R. Deposit date: 1994-03-11 Release date: 1994-06-22 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2 Å) Cite: Protein-protein recognition: crystal structural analysis of a barnase-barstar complex at 2.0-A resolution. Biochemistry, 33, 1994
1BSE	CRYSTAL STRUCTURAL ANALYSIS OF MUTATIONS IN THE HYDROPHOBIC CORES OF BARNASE Descriptor: BARNASE Authors: Buckle, A.M, Henrick, K, Fersht, A.R. Deposit date: 1993-07-19 Release date: 1994-01-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structural analysis of mutations in the hydrophobic cores of barnase. J.Mol.Biol., 234, 1993
4HJT	Kinetic stabilization of transthyretin through covalent modification of K15 by (E)-N-(4-(4-hydroxy-3,5-dimethylstyryl)phenyl)propionamide Descriptor: N-{4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}propanamide, Transthyretin Authors: Connelly, S, Wilson, I.A. Deposit date: 2012-10-14 Release date: 2013-12-04 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Stilbene vinyl sulfonamides as fluorogenic sensors of and traceless covalent kinetic stabilizers of transthyretin that prevent amyloidogenesis. J.Am.Chem.Soc., 135, 2013
1BRI	BARNASE MUTANT WITH ILE 76 REPLACED BY ALA Descriptor: BARNASE Authors: Cramer, P.C, Buckle, A, Fersht, A. Deposit date: 1995-03-09 Release date: 1995-07-10 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural and energetic responses to cavity-creating mutations in hydrophobic cores: observation of a buried water molecule and the hydrophilic nature of such hydrophobic cavities. Biochemistry, 35, 1996
1BNF	BARNASE T70C/S92C DISULFIDE MUTANT Descriptor: BARNASE Authors: Clarke, J, Henrick, K, Fersht, A.R. Deposit date: 1995-03-31 Release date: 1995-07-10 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Disulfide mutants of barnase. I: Changes in stability and structure assessed by biophysical methods and X-ray crystallography. J.Mol.Biol., 253, 1995
3SX9	Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-132 Descriptor: 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 Authors: Larson, E.T, Merritt, E.A. Deposit date: 2011-07-14 Release date: 2012-03-14 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1. J.Med.Chem., 55, 2012
1BSD	CRYSTAL STRUCTURAL ANALYSIS OF MUTATIONS IN THE HYDROPHOBIC CORES OF BARNASE Descriptor: BARNASE Authors: Buckle, A.M, Henrick, K, Fersht, A.R. Deposit date: 1993-07-19 Release date: 1994-01-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Crystal structural analysis of mutations in the hydrophobic cores of barnase. J.Mol.Biol., 234, 1993
4I7R	T4 Lysozyme L99A/M102H with 2-(pyrazolo-1-yl) ethanol bound Descriptor: 2-(1H-pyrazol-1-yl)ethanol, 2-HYDROXYETHYL DISULFIDE, ACETATE ION, ... Authors: Merski, M, Shoichet, B.K. Deposit date: 2012-11-30 Release date: 2013-03-27 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.52 Å) Cite: The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
1BU3	REFINED CRYSTAL STRUCTURE OF CALCIUM-BOUND SILVER HAKE (PI 4.2) PARVALBUMIN AT 1.65 A. Descriptor: CALCIUM ION, CALCIUM-BINDING PROTEIN Authors: Richardson, R.C, Nelson, D.J, Royer, W.E, Harrington, D.J. Deposit date: 1998-08-30 Release date: 1999-08-10 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (1.65 Å) Cite: X-Ray crystal structure and molecular dynamics simulations of silver hake parvalbumin (Isoform B). Protein Sci., 9, 2000
5U0F	Identification of a New Zinc Binding Chemotype by Fragment Screening Descriptor: (5R)-5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one, Carbonic anhydrase 2, ZINC ION Authors: Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. Deposit date: 2016-11-23 Release date: 2017-08-30 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.21 Å) Cite: Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
1BNG	BARNASE S85C/H102C DISULFIDE MUTANT Descriptor: BARNASE Authors: Clarke, J, Henrick, K, Fersht, A.R. Deposit date: 1995-03-31 Release date: 1995-07-10 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Disulfide mutants of barnase. I: Changes in stability and structure assessed by biophysical methods and X-ray crystallography. J.Mol.Biol., 253, 1995
1BSB	CRYSTAL STRUCTURAL ANALYSIS OF MUTATIONS IN THE HYDROPHOBIC CORES OF BARNASE Descriptor: BARNASE Authors: Buckle, A.M, Henrick, K, Fersht, A.R. Deposit date: 1993-07-19 Release date: 1994-01-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structural analysis of mutations in the hydrophobic cores of barnase. J.Mol.Biol., 234, 1993
5UB8	Crystal structure of YPT31, a Rab family GTPase from Candida albicans, in complex with GDP and Zn(II) Descriptor: GUANOSINE-5'-DIPHOSPHATE, Likely rab family GTP-binding protein, ZINC ION Authors: Stogios, P.J, Skarina, T, Di Leo, R, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2016-12-20 Release date: 2017-01-11 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Crystal structure of YPT31, a Rab family GTPase from Candida albicans, in complex with GDP and Zn(II) To Be Published
5TY1	Identification of a New Zinc Binding Chemotype by Fragment Screening Descriptor: (5R)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, SODIUM ION, ... Authors: Peat, T.S. Deposit date: 2016-11-18 Release date: 2017-10-04 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
5TY9	Identification of a New Zinc Binding Chemotype by Fragment Screening Descriptor: (5R)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION Authors: Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. Deposit date: 2016-11-18 Release date: 2017-08-30 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.53 Å) Cite: Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
3SIC	MOLECULAR RECOGNITION AT THE ACTIVE SITE OF SUBTILISIN BPN': CRYSTALLOGRAPHIC STUDIES USING GENETICALLY ENGINEERED PROTEINACEOUS INHIBITOR SSI (STREPTOMYCES SUBTILISIN INHIBITOR) Descriptor: CALCIUM ION, STREPTOMYCES SUBTILISIN INHIBITOR (SSI), SUBTILISIN BPN' Authors: Mitsui, Y, Takeuchi, Y, Nakamura, K.T. Deposit date: 1991-08-30 Release date: 1994-01-31 Last modified: 2017-11-29 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Molecular recognition at the active site of subtilisin BPN': crystallographic studies using genetically engineered proteinaceous inhibitor SSI (Streptomyces subtilisin inhibitor). Protein Eng., 4, 1991
8QVF	Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. Descriptor: 1-(1-adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea, Bifunctional epoxide hydrolase 2 Authors: Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. Deposit date: 2023-10-18 Release date: 2024-08-14 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Exploring serial crystallography for drug discovery. Iucrj, 2024
8QVG	Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. Descriptor: Bifunctional epoxide hydrolase 2, N-(3,3-DIPHENYLPROPYL)PYRROLIDINE-1-CARBOXAMIDE Authors: Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. Deposit date: 2023-10-18 Release date: 2024-08-14 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Exploring serial crystallography for drug discovery. Iucrj, 2024

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