PDB: 19040 resultsInfo pagesStatus searchChemie searchBIRD

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6PZU	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with AP-1-62-A Descriptor: Hdac6 protein, N-[(benzyloxy)carbonyl]-L-leucyl-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-L-alaninamide, POTASSIUM ION, ... Authors: Osko, J.D, Christianson, D.W. Deposit date: 2019-08-01 Release date: 2020-02-05 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.74 Å) Cite: Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6. J.Med.Chem., 63, 2020
6Q3Q	Arabidopsis OM64 TPR domain Descriptor: GLY-SER-LYS-MET-GLU-GLU-VAL-ASP, GLYCEROL, Outer envelope protein 64, ... Authors: Schwenkert, S. Deposit date: 2018-12-04 Release date: 2018-12-19 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (2 Å) Cite: Phosphorylation of the outer membrane mitochondrial protein OM64 influences protein import into mitochondria. Mitochondrion, 44, 2019
4QYO	Crystal Structure of anti-MSP2 Fv fragment (mAb6D8)in complex with MSP2 14-22 Descriptor: Fv fragment(mAb6D8) heavy chain, Fv fragment(mAb6D8) light chain, Merozoite surface antigen 2 Authors: Morales, R.A.V, MacRaild, C.A, Seow, J, Bankala, K, Drinkwater, N, McGowan, S, Rouet, R, Christ, D, Anders, R.F, Norton, R.S. Deposit date: 2014-07-24 Release date: 2015-06-03 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.208 Å) Cite: Structural basis for epitope masking and strain specificity of a conserved epitope in an intrinsically disordered malaria vaccine candidate. Sci Rep, 5, 2015
8BSS	Solution Structure of thanatin-like derivative 5 in complex with E. coli LptA mutant Q62L Descriptor: Lipopolysaccharide export system protein LptA, Thanatin-like derivative Authors: Oi, K.K, Jurt, S, Moehle, K, Zerbe, O. Deposit date: 2022-11-26 Release date: 2023-06-07 Last modified: 2023-11-15 Method: SOLUTION NMR Cite: Peptidomimetic antibiotics disrupt the lipopolysaccharide transport bridge of drug-resistant Enterobacteriaceae. Sci Adv, 9, 2023
4OEP	Crystal structure of the ZO-1 PDZ1 domain in complex with the 7-mer Claudin1 C-terminal tail Descriptor: ACETATE ION, DODECAETHYLENE GLYCOL, Tight junction protein ZO-1 Authors: Nomme, J, Lavie, A. Deposit date: 2014-01-13 Release date: 2015-01-14 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Structural Basis of a Key Factor Regulating the Affinity between the Zonula Occludens First PDZ Domain and Claudins. J.Biol.Chem., 290, 2015
4R3S	Crystal Structure of anti-MSP2 Fv fragment (mAb6D8)in complex with MSP2 11-23 Descriptor: FV FRAGMENT(MAB6D8) HEAVY CHAIN, FV FRAGMENT(MAB6D8) LIGHT CHAIN, Merozoite surface protein Authors: Morales, R.A.V, MacRaild, C.A, Seow, J, Bankala, K, Drinkwater, N, McGowan, S, Rouet, R, Christ, D, Anders, R.F, Norton, R.S. Deposit date: 2014-08-18 Release date: 2015-06-03 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structural basis for epitope masking and strain specificity of a conserved epitope in an intrinsically disordered malaria vaccine candidate Sci Rep, 5, 2015
6QEC	DNA binding domain of LUX ARRYTHMO in complex with DNA Descriptor: DNA (5'-D(*AP*TP*TP*CP*GP*AP*AP*TP*AP*T*TP*AP*TP*AP*TP*TP*CP*GP*AP*A)-3'), GLYCEROL, Transcription factor LUX Authors: Zubieta, C, Nayak, A. Deposit date: 2019-01-07 Release date: 2020-02-05 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Molecular mechanisms of Evening Complex activity inArabidopsis. Proc.Natl.Acad.Sci.USA, 117, 2020
5H4V	Structure of glutamyl-tRNA synthetase (Xoo1504) from Xanthomonas oryzae pv. oryzae Descriptor: Glutamate--tRNA ligase Authors: Doan, T.-N.-T, Ho, T.-H, Kang, L.-W. Deposit date: 2016-11-02 Release date: 2017-10-11 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (3 Å) Cite: Transcriptional expression of aminoacyl tRNA synthetase genes of Xanthomonas oryzae pv. oryzae (Xoo) on rice-leaf extract treatment and crystal structure of Xoo glutamyl-tRNA synthetase CROP PASTURE SCI, 68, 2017
4OEO	High resolution crystal structure of the unliganded ZO-1 PDZ1 domain Descriptor: ACETATE ION, DODECAETHYLENE GLYCOL, SULFATE ION, ... Authors: Nomme, J, Lavie, A. Deposit date: 2014-01-13 Release date: 2015-01-14 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural Basis of a Key Factor Regulating the Affinity between the Zonula Occludens First PDZ Domain and Claudins. J.Biol.Chem., 290, 2015
5HWT	Crystal structure of apo-PAS1 Descriptor: Sensor histidine kinase TodS Authors: Hwang, J, Koh, S. Deposit date: 2016-01-29 Release date: 2016-03-02 Last modified: 2017-12-06 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Molecular Insights into Toluene Sensing in the TodS/TodT Signal Transduction System. J. Biol. Chem., 291, 2016
5HWW	Crystal structure of PAS1 complexed with 1,2,4-TMB Descriptor: 1,2,4-trimethylbenzene, Sensor histidine kinase TodS Authors: Hwang, J, Koh, S. Deposit date: 2016-01-29 Release date: 2016-03-02 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Molecular Insights into Toluene Sensing in the TodS/TodT Signal Transduction System. J. Biol. Chem., 291, 2016
5HMZ	Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 23 Descriptor: 5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-4-methoxy-2-methyl-N-(methylsulfonyl)benzamide, RNA-directed RNA polymerase NS5, ZINC ION Authors: Noble, C.G. Deposit date: 2016-01-17 Release date: 2016-03-30 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.99 Å) Cite: Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design J.Med.Chem., 59, 2016
5HMX	Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 10 Descriptor: 2,2'-(5-(thiophen-2-yl)-1,3-phenylene)diacetic acid, RNA-directed RNA polymerase NS5, ZINC ION Authors: Noble, C.G. Deposit date: 2016-01-17 Release date: 2016-03-30 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design J.Med.Chem., 59, 2016
4RVR	Crystal Structure of the bromodomain of human BAZ2B in complex WITH GSK2801 Descriptor: 1,2-ETHANEDIOL, 1-{1-[2-(methylsulfonyl)phenyl]-7-propoxyindolizin-3-yl}ethanone, Bromodomain adjacent to zinc finger domain protein 2B Authors: Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) Deposit date: 2014-11-27 Release date: 2014-12-10 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B. J.Med.Chem., 59, 2016
5HMY	Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 15 Descriptor: 2,2'-(5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-1,3-phenylene)diacetic acid, RNA-directed RNA polymerase NS5, ZINC ION Authors: Noble, C.G. Deposit date: 2016-01-17 Release date: 2016-03-30 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design. J.Med.Chem., 59, 2016
5HMW	Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 5 Descriptor: 2,2'-biphenyl-3,5-diyldiacetic acid, RNA-directed RNA polymerase NS5, ZINC ION Authors: Noble, C.G. Deposit date: 2016-01-17 Release date: 2016-03-30 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design J.Med.Chem., 59, 2016
5HZY	Crystal structure of the legionella pneumophila effector protein RavZ - P6322 Descriptor: Uncharacterized protein RavZ Authors: Kwon, D.H, Kim, L, Kim, B.-W, Hong, S.B, Song, H.K. Deposit date: 2016-02-03 Release date: 2016-11-09 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.548 Å) Cite: The 1:2 complex between RavZ and LC3 reveals a mechanism for deconjugation of LC3 on the phagophore membrane Autophagy, 13, 2017
3V3C	Crystal Structure of Chloroplast ATP synthase c-ring from Pisum sativum Descriptor: ATP synthase subunit c, chloroplastic, DIGALACTOSYL DIACYL GLYCEROL (DGDG), ... Authors: Saroussi, S, Nelson, N. Deposit date: 2011-12-13 Release date: 2012-10-03 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (3.402 Å) Cite: Structure and flexibility of the C-ring in the electromotor of rotary F(o)F(1)-ATPase of pea chloroplasts. Plos One, 7, 2012
5HWV	Crystal structure of PAS1 complexed with toluene Descriptor: Sensor histidine kinase TodS, TOLUENE Authors: Hwang, J, Koh, S. Deposit date: 2016-01-29 Release date: 2016-03-02 Last modified: 2017-12-06 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Molecular Insights into Toluene Sensing in the TodS/TodT Signal Transduction System. J. Biol. Chem., 291, 2016
5I3P	DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO COMPOUND 27 Descriptor: 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-[(3-methoxyphenyl)sulfonyl]benzamide, Genome polyprotein, ZINC ION Authors: Noble, C.G. Deposit date: 2016-02-10 Release date: 2016-07-06 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling Plos Pathog., 12, 2016
6QPL	Crystal structure of Spindlin1 in complex with the inhibitor MS31 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ... Authors: Johansson, C, Krojer, T, Xiong, Y, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. Deposit date: 2019-02-14 Release date: 2019-07-17 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Discovery of a Potent and Selective Fragment-like Inhibitor of Methyllysine Reader Protein Spindlin 1 (SPIN1). J.Med.Chem., 62, 2019
8CJ7	HDAC6 selective degraded (difluoromethyl)-1,3,4-oxadiazole substrate inhibitor Descriptor: 6-[(5-pyridin-2-yl-1,2$l^{4},3,4-tetrazacyclopenta-1,3-dien-2-yl)methyl]pyridine-3-carbohydrazide, Histone deacetylase 6, IODIDE ION, ... Authors: Sandmark, J, Ek, M, Ripa, L. Deposit date: 2023-02-12 Release date: 2023-10-18 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.51 Å) Cite: Selective and Bioavailable HDAC6 2-(Difluoromethyl)-1,3,4-oxadiazole Substrate Inhibitors and Modeling of Their Bioactivation Mechanism. J.Med.Chem., 66, 2023
5IIG	Structure of the SPX-TTM domain fragment of the yeast inorganic polyphophate polymerase Vtc4 (form A). Descriptor: SULFATE ION, Vacuolar transporter chaperone 4 Authors: Wild, R, Hothorn, M. Deposit date: 2016-03-01 Release date: 2016-04-27 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.99 Å) Cite: Control of eukaryotic phosphate homeostasis by inositol polyphosphate sensor domains. Science, 352, 2016
5I3Q	DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO COMPOUND 29 Descriptor: 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-N-[(quinolin-8-yl)sulfonyl]benzamide, Genome polyprotein, ZINC ION Authors: Noble, C.G. Deposit date: 2016-02-10 Release date: 2016-07-06 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling Plos Pathog., 12, 2016
8CCK	Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with fragment F2X-Entry H07 Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ... Authors: Fuesser, F.T, Koch, O, Kuemmel, D. Deposit date: 2023-01-27 Release date: 2024-02-07 Method: X-RAY DIFFRACTION (1.63 Å) Cite: Fragment-based design of mycobacterial thioredoxin reductase inhibitors based on computational exploration of a huge virtual space To Be Published

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