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5FVE	Crystal Structure of Helicobacter pylori beta clamp in complex with 3, 4-Difluorobenzamide Descriptor: 3,4-difluorobenzamide, DNA POLYMERASE III SUBUNIT BETA Authors: Pandey, P, Gourinath, S. Deposit date: 2016-02-05 Release date: 2017-02-22 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.07 Å) Cite: Screening of E. coli beta-clamp Inhibitors Revealed that Few Inhibit Helicobacter pylori More Effectively: Structural and Functional Characterization. Antibiotics (Basel), 7, 2018
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
4I7J	T4 Lysozyme L99A/M102H with benzene bound Descriptor: 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BENZENE, ... 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 (1.67 Å) Cite: The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
2XSM	Crystal structure of the mammalian cytosolic chaperonin CCT in complex with tubulin Descriptor: CCT Authors: Munoz, I.G, Yebenes, H, Zhou, M, Mesa, P, Serna, M, Bragado-Nilsson, E, Beloso, A, Robinson, C.V, Valpuesta, J.M, Montoya, G. Deposit date: 2010-10-29 Release date: 2010-12-15 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (5.5 Å) Cite: Crystal Structure of the Open Conformation of the Mammalian Chaperonin Cct in Complex with Tubulin. Nat.Struct.Mol.Biol., 18, 2011
4I7T	T4 Lysozyme L99A/M102H with 2-bromo-5-hydroxybenzaldehyde bound Descriptor: 2-HYDROXYETHYL DISULFIDE, 2-bromo-5-hydroxybenzaldehyde, 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 (1.55 Å) Cite: The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
4HS3	Crystal structure of H-2Kb with a disulfide stabilized F pocket in complex with the LCMV derived peptide GP34 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-2-microglobulin, Envelope glycoprotein, ... Authors: Uchtenhagen, H, Boulanger, B, Hein, Z, Abualrous, E.T, Zacharias, M, Werner, J, Elliott, T, Springer, S, Achour, A. Deposit date: 2012-10-29 Release date: 2014-05-07 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Peptide-independent stabilization of MHC class I molecules breaches cellular quality control. J.Cell.Sci., 127, 2014
4I7O	T4 Lysozyme L99A/M102H with 2-amino-5-chlorothiazole bound Descriptor: 2-HYDROXYETHYL DISULFIDE, 5-chloro-1,3-thiazol-2-amine, 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 (1.73 Å) Cite: The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
4I1Y	The structure of Cysteine synthase from Mycobacterium ulcerans Agy99 Descriptor: CHLORIDE ION, Cysteine synthase, SULFATE ION Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2012-11-21 Release date: 2012-12-26 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
4I7N	T4 Lysozyme L99A/M102H with 1-phenyl-2-propyn-1-ol bound Descriptor: (1R)-1-phenylprop-2-yn-1-ol, 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 (1.58 Å) Cite: The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
4I7K	T4 Lysozyme L99A/M102H with toluene bound Descriptor: 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BETA-MERCAPTOETHANOL, ... 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 (1.72 Å) Cite: The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
4I7M	T4 Lysozyme L99A/M102H with 2-allylphenol bound Descriptor: 2-ALLYLPHENOL, 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 (1.48 Å) Cite: The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
4I7Q	T4 Lysozyme L99A/M102H with 4-trifluoromethylimidazole bound Descriptor: 2-HYDROXYETHYL DISULFIDE, 5-(trifluoromethyl)-1H-imidazole, 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 (1.58 Å) Cite: The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
4I7P	T4 Lysozyme L99A/M102H with 4-bromoimidazole bound Descriptor: 2-HYDROXYETHYL DISULFIDE, 4-bromo-1H-imidazole, 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 (1.6 Å) Cite: The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
4I7L	T4 Lysozyme L99A/M102H with phenol bound Descriptor: 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BETA-MERCAPTOETHANOL, ... Authors: Merski, M, Shoichet, B.K. Deposit date: 2012-11-30 Release date: 2013-04-03 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
4I7S	T4 Lysozyme L99A/M102H with 3-trifluoromethyl-5-methyl pyrazole bound Descriptor: 2-HYDROXYETHYL DISULFIDE, 5-methyl-3-(trifluoromethyl)-1H-pyrazole, 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 (1.69 Å) Cite: The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
4FIC	Kinase domain of cSrc in complex with a hinge region-binding fragment Descriptor: 6-phenyl[1,2,4]triazolo[1,5-a]pyrazin-2-amine, Proto-oncogene tyrosine-protein kinase Src Authors: Richters, A, Rauh, D. Deposit date: 2012-06-08 Release date: 2013-04-10 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.5 Å) Cite: De novo design of protein kinase inhibitors by in silico identification of hinge region-binding fragments. Acs Chem.Biol., 8, 2013
4IJN	Crystal structure of an acetate kinase from Mycobacterium smegmatis bound to AMP and sulfate Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Acetate kinase, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2012-12-21 Release date: 2013-01-16 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
2Z4E	Crystal Structure of D-Dimer from Human Fibrin Complexed with Gly-His-Arg-Pro-Tyr-amide Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... Authors: Doolittle, R.F, Pandi, L. Deposit date: 2007-06-16 Release date: 2007-10-23 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Probing the beta-chain hole of fibrinogen with synthetic peptides that differ at their amino termini Biochemistry, 46, 2007
2Y6A	Ascorbate Peroxidase R38A mutant Descriptor: ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION Authors: Metcalfe, C.L, Efimov, I, Gumiero, A, Raven, E.L, Moody, P.C.E. Deposit date: 2011-01-20 Release date: 2011-10-12 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Proton Delivery to Ferryl Heme in a Heme Peroxidase: Enzymatic Use of the Grotthuss Mechanism. J.Am.Chem.Soc., 133, 2011
2YN8	ephB4 kinase domain inhibitor complex Descriptor: EPHRIN TYPE-B RECEPTOR 4, STAUROSPORINE Authors: Read, J, Brassington, C.A, Overmann, R. Deposit date: 2012-10-13 Release date: 2013-10-23 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.11 Å) Cite: Stability and Solubility Engineering of the Ephb4 Tyrosine Kinase Catalytic Domain Using a Rationally Designed Synthetic Library. Protein Eng.Des.Sel., 26, 2013
1SOG	Cyrstal Structure of Cytochrome c Peroxidase Mutant: CcPK2M2 Descriptor: Cytochrome c peroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE Authors: Barrows, T.P, Bhaskar, B, Poulos, T.L. Deposit date: 2004-03-14 Release date: 2004-07-13 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Electrostatic control of the tryptophan radical in cytochrome c peroxidase. Biochemistry, 43, 2004
1U5P	Crystal Structure of Repeats 15 and 16 of Chicken Brain Alpha Spectrin Descriptor: PHOSPHATE ION, POTASSIUM ION, Spectrin alpha chain, ... Authors: Kusunoki, H, Minasov, G, MacDonald, R.I, Mondragon, A. Deposit date: 2004-07-28 Release date: 2004-10-19 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Independent Movement, Dimerization and Stability of Tandem Repeats of Chicken Brain alpha-Spectrin J.Mol.Biol., 344, 2004
1U4Q	Crystal Structure of Repeats 15, 16 and 17 of Chicken Brain Alpha Spectrin Descriptor: Spectrin alpha chain, brain Authors: Kusunoki, H, Minasov, G, MacDonald, R.I, Mondragon, A. Deposit date: 2004-07-26 Release date: 2004-10-19 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Independent Movement, Dimerization and Stability of Tandem Repeats of Chicken Brain alpha-Spectrin J.Mol.Biol., 344, 2004
7QBB	Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 18 Descriptor: 3C-like proteinase nsp5, 7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione, DIMETHYL SULFOXIDE Authors: Talibov, V.O. Deposit date: 2021-11-18 Release date: 2022-02-23 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2 Å) Cite: Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
1TVK	The binding mode of epothilone A on a,b-tubulin by electron crystallography Descriptor: EPOTHILONE A, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... Authors: Nettles, J.H, Li, H, Cornett, B, Krahn, J.M, Snyder, J.P, Downing, K.H. Deposit date: 2004-06-29 Release date: 2004-09-14 Last modified: 2023-08-23 Method: ELECTRON CRYSTALLOGRAPHY (2.89 Å) Cite: The binding mode of epothilone A on alpha,beta-tubulin by electron crystallography Science, 305, 2004

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