5VBM
 
 | | Crystal Structure of Small Molecule Disulfide 2C07 Bound to K-Ras Cys Light M72C GDP | | Descriptor: | 1-(4-methoxyphenyl)-N-(3-sulfanylpropyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Gentile, D.R, Jenkins, M.L, Moss, S.M, Burke, J.E, Shokat, K.M. | | Deposit date: | 2017-03-29 | | Release date: | 2017-10-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Ras Binder Induces a Modified Switch-II Pocket in GTP and GDP States.
Cell Chem Biol, 24, 2017
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5V79
 | | E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-((2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)-N-phenylacetamide | | Descriptor: | 2-[(2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide, Dihydropteroate synthase, NITRATE ION | | Authors: | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | | Deposit date: | 2017-03-20 | | Release date: | 2017-12-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | 8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
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7ZH2
 | | SARS CoV Spike protein, Closed C1 conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ... | | Authors: | Toelzer, C, Gupta, K, Yadav, S.K.N, Buzas, D, Borucu, U, Schaffitzel, C, Berger, I. | | Deposit date: | 2022-04-05 | | Release date: | 2023-02-15 | | Method: | ELECTRON MICROSCOPY (2.71 Å) | | Cite: | The free fatty acid-binding pocket is a conserved hallmark in pathogenic beta-coronavirus spike proteins from SARS-CoV to Omicron.
Sci Adv, 8, 2022
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7ZPB
 | | Structure of hemiacetylated human butyrylcholinesterase upon reaction with 8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinoline-2-carbaldehyde | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X. | | Deposit date: | 2022-04-27 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | 8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases.
Acta Pharm Sin B, 13, 2023
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6CFS
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6CFV
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4W9S
 | | 2-(4-(1H-tetrazol-5-yl)phenyl)-5-hydroxypyrimidin-4(3H)-one bound to influenza 2009 H1N1 endonuclease | | Descriptor: | 5-hydroxy-2-[4-(1H-tetrazol-5-yl)phenyl]pyrimidin-4(3H)-one, MANGANESE (II) ION, Polymerase acidic protein, ... | | Authors: | Bauman, J.D, Patel, D, Das, K, Arnold, E. | | Deposit date: | 2014-08-27 | | Release date: | 2014-10-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Phenyl Substituted 4-Hydroxypyridazin-3(2H)-ones and 5-Hydroxypyrimidin-4(3H)-ones: Inhibitors of Influenza A Endonuclease.
J.Med.Chem., 57, 2014
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5UQN
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4WCJ
 | | Structure of IcaB from Ammonifex degensii | | Descriptor: | CHLORIDE ION, Polysaccharide deacetylase, ZINC ION | | Authors: | Little, D.J, Bamford, N.C, Pokrovskaya, V, Robinson, H, Nitz, M, Howell, P.L. | | Deposit date: | 2014-09-04 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis for the De-N-acetylation of Poly-beta-1,6-N-acetyl-d-glucosamine in Gram-positive Bacteria.
J.Biol.Chem., 289, 2014
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2W3Z
 | | Structure of a Streptococcus mutans CE4 esterase | | Descriptor: | PHOSPHATE ION, PUTATIVE DEACETYLASE, ZINC ION | | Authors: | Deng, D.M, Urch, J.E, ten Cate, J.M, Rao, V.A, van Aalten, D.M.F, Crielaard, W. | | Deposit date: | 2008-11-17 | | Release date: | 2008-12-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Streptococcus Mutans Smu.623C Codes for a Functional, Metal Dependent Polysaccharide Deacetylase that Modulates Interactions with Salivary Agglutinin.
J.Bacteriol., 191, 2009
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7ZH1
 | | SARS CoV Spike protein, Closed C3 conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ... | | Authors: | Toelzer, C, Gupta, K, Yadav, S.K.N, Buzas, D, Borucu, U, Schaffitzel, C, Berger, I. | | Deposit date: | 2022-04-05 | | Release date: | 2023-02-15 | | Method: | ELECTRON MICROSCOPY (2.48 Å) | | Cite: | The free fatty acid-binding pocket is a conserved hallmark in pathogenic beta-coronavirus spike proteins from SARS-CoV to Omicron.
Sci Adv, 8, 2022
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2I6S
 | | Complement component C2a | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C2a fragment, ... | | Authors: | Milder, F.J, Raaijmakers, H.C.A, Vandeputte, D.A.A, Schouten, A, Huizinga, E.G, Romijn, R.A, Hemrika, W, Roos, A, Daha, M.R, Gros, P. | | Deposit date: | 2006-08-29 | | Release date: | 2006-10-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of complement component c2a: implications for convertase formation and substrate binding.
Structure, 14, 2006
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6P93
 | | Human APE1 K98A AP-endonuclease product complex | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Whitaker, A.W, Stark, W.J, Freudenthal, B.D. | | Deposit date: | 2019-06-09 | | Release date: | 2020-01-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Functions of the major abasic endonuclease (APE1) in cell viability and genotoxin resistance.
Mutagenesis, 35, 2020
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4V02
 | | MinC:MinD cell division protein complex, Aquifex aeolicus | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PROBABLE SEPTUM SITE-DETERMINING PROTEIN MINC, ... | | Authors: | Ghosal, D, Lowe, J. | | Deposit date: | 2014-09-10 | | Release date: | 2015-01-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mincd Cell Division Proteins Form Alternating Copolymeric Cytomotive Filaments.
Nat.Commun., 5, 2014
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2VSM
 | | Nipah virus attachment glycoprotein in complex with human cell surface receptor ephrinB2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, EPHRIN-B2, HEMAGGLUTININ-NEURAMINIDASE, ... | | Authors: | Bowden, T.A, Aricescu, A.R, Gilbert, R.J, Grimes, J.M, Jones, E.Y, Stuart, D.I. | | Deposit date: | 2008-04-25 | | Release date: | 2008-05-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis of Nipah and Hendra Virus Attachment to Their Cell-Surface Receptor Ephrin-B2
Nat.Struct.Mol.Biol., 15, 2008
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2VNO
 | | Family 51 carbohydrate binding module from a family 98 glycoside hydrolase produced by Clostridium perfringens in complex with blood group B-trisaccharide ligand. | | Descriptor: | CALCIUM ION, CPE0329, alpha-L-fucopyranose-(1-2)-[beta-D-galactopyranose-(1-3)]beta-D-galactopyranose | | Authors: | Gregg, K.J, Finn, R, Abbott, D.W, Boraston, A.B. | | Deposit date: | 2008-02-05 | | Release date: | 2008-02-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Divergent Modes of Glycan Recognition by a New Family of Carbohydrate-Binding Modules
J.Biol.Chem., 283, 2008
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1JJA
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3ZDV
 | | Crystal structure of the LecB lectin from Pseudomonas aeruginosa in complex with Methyl 6-(2,4,6-trimethylphenylsulfonylamido)-6-deoxy-alpha-D-mannopyranoside | | Descriptor: | 1,2-ETHANEDIOL, 2,4,6-trimethylbenzenesulfonamide, CALCIUM ION, ... | | Authors: | Hauck, D, Joachim, I, Frommeyer, B, Varrot, A, Philipp, B, MOller, H.M, Imberty, A, Exner, T.E, Titz, A. | | Deposit date: | 2012-11-30 | | Release date: | 2013-09-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Discovery of Two Classes of Potent Glycomimetic Inhibitors of Pseudomonas Aeruginosa Lecb with Distinct Binding Modes.
Acs Chem.Biol., 8, 2013
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5UQM
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6W43
 | | APE1 AP-endonuclease product complex R237C | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Freudenthal, B.D, Whitaker, A.M. | | Deposit date: | 2020-03-10 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Molecular and structural characterization of disease-associated APE1 polymorphisms.
DNA Repair (Amst.), 91-92, 2020
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6W0Q
 | | APE1 endonuclease product complex D148E | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), ... | | Authors: | Freudenthal, B.D, Whitaker, A.M. | | Deposit date: | 2020-03-02 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Molecular and structural characterization of disease-associated APE1 polymorphisms.
DNA Repair (Amst.), 91-92, 2020
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5V19
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5USY
 | | JAK2 JH1 in complex with JNJ-7706621 | | Descriptor: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, GLYCEROL, SULFATE ION, ... | | Authors: | Puleo, D.E, Schlessinger, J. | | Deposit date: | 2017-02-14 | | Release date: | 2017-06-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders.
ACS Med Chem Lett, 8, 2017
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8K51
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6CFT
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