PDB: 20505 resultsInfo pagesStatus searchChemie searchBIRD

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5K79	Structure and anti-HIV activity of CYT-CVNH, a new cyanovirin-n homolog Descriptor: 1,2-ETHANEDIOL, Cyanovirin-N domain protein, DI(HYDROXYETHYL)ETHER Authors: Matei, E, Basu, R, Furey, W, Shi, J, Calnan, C, Aiken, C, Gronenborn, A.M. Deposit date: 2016-05-25 Release date: 2016-07-20 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Structure and Glycan Binding of a New Cyanovirin-N Homolog. J.Biol.Chem., 291, 2016
4M14	Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide] Descriptor: 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK Authors: Han, S, Caspers, N.L. Deposit date: 2013-08-02 Release date: 2014-04-02 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors. Biochem.J., 460, 2014
4M15	Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide] and ADP Descriptor: 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Tyrosine-protein kinase ITK/TSK Authors: Han, S, Caspers, N.L. Deposit date: 2013-08-02 Release date: 2014-04-02 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.52 Å) Cite: Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors. Biochem.J., 460, 2014
4M0Y	Crystal structure of ITK in complex with compound 1 [4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide] Descriptor: 4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK Authors: Han, S, Caspers, N.L. Deposit date: 2013-08-02 Release date: 2014-04-02 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors. Biochem.J., 460, 2014
4MGP	Structure of racemic Ala-(8,13,18) Magainin 2 Descriptor: Magainin 2 Derivative Authors: Hayouka, Z, Mortenson, D.E, Kreitler, D.F, Weisblum, B, Gellman, S.H, Forest, K.T. Deposit date: 2013-08-28 Release date: 2013-10-16 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Evidence for Phenylalanine Zipper-Mediated Dimerization in the X-ray Crystal Structure of a Magainin 2 Analogue. J.Am.Chem.Soc., 135, 2013
4LPZ	ARNT transcription factor/coactivator complex Descriptor: Aryl hydrocarbon receptor nuclear translocator, Transforming acidic coiled-coil-containing protein 3 Authors: Guo, Y, Scheuermann, T.H, Gardner, K.H. Deposit date: 2013-07-16 Release date: 2014-07-16 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (3.15 Å) Cite: Coiled-coil coactivators play a structural role mediating interactions in hypoxia-inducible factor heterodimerization. J.Biol.Chem., 290, 2015
4NL5	Mycobacterium tuberculosis heme-degrading protein MhuD in complex with heme and cyanide Descriptor: ACETATE ION, CYANIDE ION, Heme-degrading monooxygenase HmoB, ... Authors: Morse, R.P, Chao, A, Goulding, C.W. Deposit date: 2013-11-13 Release date: 2014-06-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystallographic and Spectroscopic Insights into Heme Degradation by Mycobacterium tuberculosis MhuD. Inorg.Chem., 53, 2014
4NLF	2'-trifluoromethylthio-2'-deoxycytidine-modified SRL Descriptor: 23S ribosomal RNA Sarcin Ricin Loop, SULFATE ION Authors: Ennifar, E, Micura, R, Kosutic, M. Deposit date: 2013-11-14 Release date: 2014-11-19 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1 Å) Cite: Surprising base pairing and structural properties of 2'-trifluoromethylthio-modified ribonucleic acids. J.Am.Chem.Soc., 136, 2014
4N5X	Crystal structure of N-terminal calmodulin-like Calcium sensor of human mitochondrial ATP-Mg/Pi carrier SCaMC1 Descriptor: CALCIUM ION, Calcium-binding mitochondrial carrier protein SCaMC-1, DI(HYDROXYETHYL)ETHER Authors: Yang, Q, Bruschweiler, S, Chou, J. Deposit date: 2013-10-10 Release date: 2013-12-18 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.1 Å) Cite: A Self-Sequestered Calmodulin-like Ca(2+) Sensor of Mitochondrial SCaMC Carrier and Its Implication to Ca(2+)-Dependent ATP-Mg/Pi Transport. Structure, 22, 2014
7K6S	Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to Compound 4 (SKT1174) Descriptor: (7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone, 1,2-ETHANEDIOL, CHLORIDE ION, ... Authors: Chan, A, Schonbrunn, E. Deposit date: 2020-09-21 Release date: 2020-12-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.23 Å) Cite: New inhibitors for the BPTF bromodomain enabled by structural biology and biophysical assay development. Org.Biomol.Chem., 18, 2020
7KDW	Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to Compound 6 (HZ01052) Descriptor: 1,2-ETHANEDIOL, Nucleosome-remodeling factor subunit BPTF, cyclopropyl[7-({2-[(prop-2-yn-1-yl)amino]pyrimidin-4-yl}amino)-3,4-dihydroquinolin-1(2H)-yl]methanone Authors: Chan, A, Schonbrunn, E. Deposit date: 2020-10-09 Release date: 2020-12-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.71 Å) Cite: New inhibitors for the BPTF bromodomain enabled by structural biology and biophysical assay development Organic and Biomolecular Chemistry, 18(27), 2020
4NAM	1.7A structure of 5-Fluoro Tryptophan Labeled Protective Antigen (W206Y) Descriptor: CALCIUM ION, Protective antigen Authors: Lovell, S, Battaile, K.P, Chadegani, F, Mulangi, V, Miyagi, M, Bann, J.G. Deposit date: 2013-10-22 Release date: 2014-01-22 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.7 Å) Cite: (19)F nuclear magnetic resonance and crystallographic studies of 5-fluorotryptophan-labeled anthrax protective antigen and effects of the receptor on stability. Biochemistry, 53, 2014
7K6R	Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to GSK4027 Descriptor: 1,2-ETHANEDIOL, 4-bromo-2-methyl-5-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]pyridazin-3-one, Nucleosome-remodeling factor subunit BPTF Authors: Chan, A, Schonbrunn, E. Deposit date: 2020-09-21 Release date: 2020-12-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.6 Å) Cite: New inhibitors for the BPTF bromodomain enabled by structural biology and biophysical assay development. Org.Biomol.Chem., 18, 2020
4NXH	2'-Trifluoromethylthiouridine-modified E. coli 23S rRNA Sarcin Ricin Loop Descriptor: 23S ribosomal RNA Sarcin Ricin Loop, GLYCEROL, SULFATE ION Authors: Ennifar, E, Micura, R, Kosutic, M. Deposit date: 2013-12-09 Release date: 2014-12-10 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.158 Å) Cite: Surprising base pairing and structural properties of 2'-trifluoromethylthio-modified ribonucleic acids. J.Am.Chem.Soc., 136, 2014
4OYL	Humicola insolens cutinase in complex with mono-ethylphosphate Descriptor: Cutinase Authors: Dauter, Z.D, Brzozowski, A.M, Turkenburg, J.P, Wilson, K.S. Deposit date: 2014-02-12 Release date: 2014-06-25 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Thermodynamic and structural investigation of the specific SDS binding of Humicola insolens cutinase. Protein Sci., 23, 2014
4OR1	Structure and mechanism of fibronectin binding and biofilm formation of enteroaggregative Escherischia coli AAF fimbriae Descriptor: ACETATE ION, Invasin homolog AafB, Major fimbrial subunit of aggregative adherence fimbria II AafA chimeric construct, ... Authors: Lee, W.-C, Garnett, J.A, Yang, Y, Matthews, S. Deposit date: 2014-02-10 Release date: 2014-12-24 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (3 Å) Cite: Structural insight into host recognition by aggregative adherence fimbriae of enteroaggregative Escherichia coli. Plos Pathog., 10, 2014
4OYY	Humicola insolens cutinase Descriptor: Cutinase Authors: Dauter, Z.D, Brzozowski, A.M, Turkenburg, J.P, Wilson, K.S. Deposit date: 2014-02-13 Release date: 2014-07-30 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (3 Å) Cite: Thermodynamic and structural investigation of the specific SDS binding of humicola insolens cutinase. Protein Sci., 23, 2014
4MHG	Crystal structure of ETV6 bound to a specific DNA sequence Descriptor: Complementary Specific 14 bp DNA, Specific 14 bp DNA, Transcription factor ETV6 Authors: Chan, A.C, De, S, Coyne III, H.J, Okon, M, Murphy, M.E, Graves, B.J, McIntosh, L.P. Deposit date: 2013-08-29 Release date: 2014-01-08 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.199 Å) Cite: Steric Mechanism of Auto-Inhibitory Regulation of Specific and Non-Specific DNA Binding by the ETS Transcriptional Repressor ETV6. J.Mol.Biol., 426, 2014
4NMG	2'-Trifluoromethylthio-2'-deoxyuridine-modified SRL Descriptor: 23S ribosomal RNA Sarcin Ricin Loop Authors: Ennifar, E, Micura, R, Kosutic, M. Deposit date: 2013-11-15 Release date: 2014-11-19 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.01 Å) Cite: Surprising base pairing and structural properties of 2'-trifluoromethylthio-modified ribonucleic acids. J.Am.Chem.Soc., 136, 2014
4PHX	Crystal structure of AggB, the minor subunit of aggregative adherence fimbriae type I from the Escherichia coli O4H104 Descriptor: Protein AggB Authors: Pakharukova, N.A, Tuitilla, M, Zavialov, A.V. Deposit date: 2014-05-07 Release date: 2014-10-01 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structural Insight into Host Recognition by Aggregative Adherence Fimbriae of Enteroaggregative Escherichia coli. Plos Pathog., 10, 2014
3L1Z	Crystal structure of the U-BOX domain of human E4B ubiquitin ligase in complex with UBCH5C E2 ubiquitin conjugating enzyme Descriptor: Ubiquitin conjugation factor E4 B, Ubiquitin-conjugating enzyme E2 D3 Authors: Benirschke, R, Thompson, J.R, Mer, G. Deposit date: 2009-12-14 Release date: 2010-05-05 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (3.17 Å) Cite: Molecular Basis for the Association of Human E4B U Box Ubiquitin Ligase with E2-Conjugating Enzymes UbcH5c and Ubc4. Structure, 18, 2010
3L1Y	Crystal structure of human UBC4 E2 conjugating enzyme Descriptor: Ubiquitin-conjugating enzyme E2 D2 Authors: Benirschke, R, Thompson, J.R, Mer, G. Deposit date: 2009-12-14 Release date: 2010-05-05 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Molecular Basis for the Association of Human E4B U Box Ubiquitin Ligase with E2-Conjugating Enzymes UbcH5c and Ubc4. Structure, 18, 2010
3LE8	Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.70 Angstrom resolution in complex with 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid Descriptor: 1,2-ETHANEDIOL, 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid, ETHANOL, ... Authors: Silvestre, H.L, Hung, A.W, Sledz, P, Ciulli, A, Blundell, T.L, Abell, C. Deposit date: 2010-01-14 Release date: 2010-04-14 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Optimization of the interligand overhauser effect for fragment linking: application to inhibitor discovery against Mycobacterium tuberculosis pantothenate synthetase. J.Am.Chem.Soc., 132, 2010
3L1X	Crystal Structure of U-box Domain of Human E4B Ubiquitin Ligase Descriptor: Ubiquitin conjugation factor E4 B Authors: Benirschke, R, Thompson, J.R, Mer, G. Deposit date: 2009-12-14 Release date: 2010-05-05 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Molecular Basis for the Association of Human E4B U Box Ubiquitin Ligase with E2-Conjugating Enzymes UbcH5c and Ubc4. Structure, 18, 2010
3L9Q	Crystal structure of human polymerase alpha-primase p58 iron-sulfur cluster domain Descriptor: DNA primase large subunit, IRON/SULFUR CLUSTER, SULFATE ION Authors: Vaithiyalingam, S, Eichman, B.F, Chazin, W.J. Deposit date: 2010-01-05 Release date: 2010-07-14 Last modified: 2011-11-16 Method: X-RAY DIFFRACTION (1.698 Å) Cite: Insights into eukaryotic DNA priming from the structure and functional interactions of the 4Fe-4S cluster domain of human DNA primase. Proc.Natl.Acad.Sci.USA, 107, 2010

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