Author results

4CVY
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CRYSTAL STRUCTURE OF THE M. TUBERCULOSIS SULFATE ESTER DIOXYGENASE RV3406 IN COMPLEX WITH IRON.
Descriptor:DIOXYGENASE RV3406/MT3514, NITRATE ION, FE (III) ION
Authors:Neres, J., Hartkoorn, R.C., Chiarelli, L.R., Gadupudi, R., Pasca, M., Mori, G., Farina, D., Salina, S., Makarov, V., Kolly, G.S., Molteni, E., Binda, C., Dhar, N., Ferrari, S., Brodin, P., Delorme, V., Landry, V., de Jesus Lopes Ribeiro, A.L., Saxena, P., Pojer, F., Venturelli, A., Carta, A., Luciani, R., Porta, A., Zanoni, G., De Rossi, E., Costi, M.P., Riccardi, G., Cole, S.T.
Deposit date:2014-03-31
Release date:2014-12-10
Last modified:2015-04-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:2-Carboxyquinoxalines Kill Mycobacterium Tuberculosis Through Noncovalent Inhibition of Dpre1.
Acs Chem.Biol., 10, 2015
5A32
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ELECTRON CRYO-MICROSCOPY OF COWPEA MOSAIC VIRUS CONTAINING RNA-1 (CPMVB)
Descriptor:RNA2 POLYPROTEIN
Authors:Hesketh, E.L., Meshcheriakova, Y., Dent, K.C., Saxena, P., Thompson, R., Cockburn, J.J., Lomonossoff, G.P., Ranson, N.A.
Deposit date:2015-05-27
Release date:2015-12-23
Last modified:2017-08-30
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Mechanisms of assembly and genome packaging in an RNA virus revealed by high-resolution cryo-EM.
Nat Commun, 6, 2015
5A33
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ELECTRON CRYO-MICROSCOPY OF COWPEA MOSAIC VIRUS (CPMV) EMPTY VIRUS LIKE PARTICLE (EVLP)
Descriptor:RNA2 POLYPROTEIN
Authors:Hesketh, E.L., Meshcheriakova, Y., Dent, K.C., Saxena, P., Thompson, R., Cockburn, J.J., Lomonossoff, G.P., Ranson, N.A.
Deposit date:2015-05-27
Release date:2015-12-23
Last modified:2017-08-30
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Mechanisms of assembly and genome packaging in an RNA virus revealed by high-resolution cryo-EM.
Nat Commun, 6, 2015
5FMO
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CRYSTAL STRUCTURE AND PROTEOMICS ANALYSIS OF EMPTY VIRUS LIKE PARTICLES OF COWPEA MOSAIC VIRUS
Descriptor:EMPTY VIRUS LIKE PARTICLES OF COWPEA MOSAIC VIRUS
Authors:Huynh, N., Hesketh, E.L., Saxena, P., Meshcheriakova, Y., Ku, Y.C., Hoang, L., Johnson, J.E., Ranson, N.A., Lomonossoff, G.P., Reddy, V.S.
Deposit date:2015-11-07
Release date:2016-03-09
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure and Proteomics Analysis of Empty Virus-Like Particles of Cowpea Mosaic Virus.
Structure, 24, 2016
1TED
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CRYSTAL STRUCTURE OF A TYPE III POLYKETIDE SYNTHASE PKS18 FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor:pks18, MYRISTIC ACID
Authors:Sankaranarayanan, R., Shanmugam, V.M., Rukmini, R.
Deposit date:2004-05-25
Release date:2004-08-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A novel tunnel in mycobacterial type III polyketide synthase reveals the structural basis for generating diverse metabolites
Nat.Struct.Mol.Biol., 11, 2004
1TEE
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CRYSTAL STRUCTURE OF C205F MUTANT OF PKS18 FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor:pks18
Authors:Sankaranarayanan, R., Shanmugam, V.M., Rukmini, R.
Deposit date:2004-05-25
Release date:2004-08-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A novel tunnel in mycobacterial type III polyketide synthase reveals the structural basis for generating diverse metabolites
Nat.Struct.Mol.Biol., 11, 2004
2YHI
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TRYPANOSOMA BRUCEI PTR1 IN COMPLEX WITH INHIBITOR WH16
Descriptor:PTERIDINE REDUCTASE, PUTATIVE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Nerini, E., Dawson, A., Hunter, W.N., Costi, M.P.
Deposit date:2011-05-03
Release date:2012-05-23
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
2YHU
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TRYPANOSOMA BRUCEI PTR1 IN COMPLEX WITH INHIBITOR WHF30
Descriptor:PTERIDINE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-(5-AMINO-1,3,4-THIADIAZOL-2-YL)-1-THIOPHEN-2-YLPROPAN-1-ONE, ...
Authors:Nerini, E., Dawson, A., Hunter, W.N., Costi, M.P.
Deposit date:2011-05-06
Release date:2012-05-23
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
4WCD
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TRYPANOSOMA BRUCEI PTR1 IN COMPLEX WITH INHIBITOR 10
Descriptor:Pteridine reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-(1H-benzotriazol-6-yl)-1,3,4-thiadiazol-2-amine, ...
Authors:Mangani, S., Di Pisa, F., Pozzi, C.
Deposit date:2014-09-04
Release date:2015-09-30
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
4WCF
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TRYPANOSOMA BRUCEI PTR1 IN COMPLEX WITH INHIBITOR 9
Descriptor:Pteridine reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-(5-amino-1,3,4-thiadiazol-2-yl)pyridin-4-amine, ...
Authors:Mangani, S., Di Pisa, F., Pozzi, C.
Deposit date:2014-09-04
Release date:2015-09-23
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
5IZC
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TRYPANOSOMA BRUCEI PTR1 IN COMPLEX WITH INHIBITOR F032
Descriptor:Pteridine reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N~2~-[(thiophen-2-yl)methyl]-1,3,4-thiadiazole-2,5-diamine, ...
Authors:Pozzi, C., Landi, G., Di Pisa, F., Mangani, S.
Deposit date:2016-03-25
Release date:2017-04-05
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
4P8C
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CRYSTAL STRUCTURE OF M. TUBERCULOSIS DPRE1 IN COMPLEX WITH THE NON-COVALENT INHIBITOR QN127
Descriptor:Probable decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, 6-(trifluoromethyl)-3-{[4-(trifluoromethyl)benzyl]amino}quinoxaline-2-carboxylic acid, ...
Authors:Neres, J., Pojer, F., Cole, S.T.
Deposit date:2014-03-31
Release date:2014-12-10
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
4P8K
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CRYSTAL STRUCTURE OF M. TUBERCULOSIS DPRE1 IN COMPLEX WITH THE NON-COVALENT INHIBITOR TY38C
Descriptor:Probable decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, 3-[(4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
Authors:Neres, J., Pojer, F., Cole, S.T.
Deposit date:2014-03-31
Release date:2014-12-10
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
4P8L
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CRYSTAL STRUCTURE OF M. TUBERCULOSIS DPRE1 IN COMPLEX WITH THE NON-COVALENT INHIBITOR TY36C
Descriptor:Probable decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, 3-[(4-fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, ...
Authors:Neres, J., Pojer, F., Cole, S.T.
Deposit date:2014-03-31
Release date:2014-12-10
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
4P8M
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CRYSTAL STRUCTURE OF M. TUBERCULOSIS DPRE1 IN COMPLEX WITH THE NON-COVALENT INHIBITOR QN114
Descriptor:Probable decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, 3-[(4-ethoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, ...
Authors:Neres, J., Pojer, F., Cole, S.T.
Deposit date:2014-03-31
Release date:2014-12-10
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
4P8N
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CRYSTAL STRUCTURE OF M. TUBERCULOSIS DPRE1 IN COMPLEX WITH THE NON-COVALENT INHIBITOR QN118
Descriptor:Probable decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, 3-[(3-fluoro-4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, ...
Authors:Neres, J., Pojer, F., Cole, S.T.
Deposit date:2014-03-31
Release date:2014-12-10
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
4P8P
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CRYSTAL STRUCTURE OF M. TUBERCULOSIS DPRE1 IN COMPLEX WITH THE NON-COVALENT INHIBITOR QN127
Descriptor:Probable decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, 3-[(4-chlorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, ...
Authors:Neres, J., Pojer, F., Cole, S.T.
Deposit date:2014-03-31
Release date:2014-12-10
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
4P8T
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CRYSTAL STRUCTURE OF M. TUBERCULOSIS DPRE1 IN COMPLEX WITH THE NON-COVALENT INHIBITOR QN129
Descriptor:Probable decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, 3-[(4-cyanobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, ...
Authors:Neres, J., Pojer, F., Cole, S.T.
Deposit date:2014-04-01
Release date:2014-12-10
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
4P8Y
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CRYSTAL STRUCTURE OF M. TUBERCULOSIS DPRE1 IN COMPLEX WITH THE NON-COVALENT INHIBITOR TY21C
Descriptor:Probable decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, 3-[(4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, ...
Authors:Neres, J., Pojer, F., Cole, S.T.
Deposit date:2014-04-01
Release date:2014-12-10
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
5VEB
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CRYSTAL STRUCTURE OF A FAB BINDING TO EXTRACELLULAR DOMAIN 5 OF CADHERIN-6
Descriptor:anti-CDH6 Fab heavy chain, anti-CDH6 Fab light chain, Cadherin-6, ...
Authors:Zhu, X., Bialucha, C.U., London, A., Clark, K., Hu, T.
Deposit date:2017-04-04
Release date:2017-06-07
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Discovery and Optimization of HKT288, a Cadherin-6-Targeting ADC for the Treatment of Ovarian and Renal Cancers.
Cancer Discov, 7, 2017
3E1H
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CRYSTAL STRUCTURE OF A TYPE III POLYKETIDE SYNTHASE PKSIIINC FROM NEUROSPORA CRASSA
Descriptor:Putative uncharacterized protein
Authors:Goyal, A., Rahman, A., Sankaranarayanan, R.
Deposit date:2008-08-04
Release date:2008-08-26
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structural insights into biosynthesis of resorcinolic lipids by a type III polyketide synthase in Neurospora crassa
J.Struct.Biol., 162, 2008
4FGT
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ALLOSTERIC PEPTIDIC INHIBITOR OF HUMAN THYMIDYLATE SYNTHASE THAT STABILIZES INACTIVE CONFORMATION OF THE ENZYME.
Descriptor:Thymidylate synthase, CG peptide, SULFATE ION
Authors:Tochowicz, A., Finer-Moore, J., Stroud, R.M., Costi, M.P.
Deposit date:2012-06-04
Release date:2013-03-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Alanine mutants of the interface residues of human thymidylate synthase decode key features of the binding mode of allosteric anticancer peptides.
J.Med.Chem., 58, 2015
4JEF
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CRYSTAL STRUCTURE OF HUMAN THYMIDYLATE SYNTHASE Y202A IN INACTIVE CONFORMATION.
Descriptor:Thymidylate synthase, SULFATE ION
Authors:Tochowicz, A., Stroud, R.M., Wade, R.C.
Deposit date:2013-02-26
Release date:2014-08-20
Last modified:2015-05-06
Method:X-RAY DIFFRACTION (2.311 Å)
Cite:Hotspots in an obligate homodimeric anticancer target. Structural and functional effects of interfacial mutations in human thymidylate synthase.
J.Med.Chem., 58, 2015
4KPW
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CRYSTAL STRUCTURE OF HIS-TAGGED HUMAN THYMIDYLATE SYNTHASE R175A MUTANT
Descriptor:Thymidylate synthase, SULFATE ION, 1,2-ETHANEDIOL
Authors:Pozzi, C., Mangani, S.
Deposit date:2013-05-14
Release date:2014-05-14
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Hotspots in an obligate homodimeric anticancer target. Structural and functional effects of interfacial mutations in human thymidylate synthase.
J.Med.Chem., 58, 2015
4P59
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HER3 EXTRACELLULAR DOMAIN IN COMPLEX WITH FAB FRAGMENT OF MOR09825
Descriptor:Receptor tyrosine-protein kinase erbB-3, MOR09825 Fab fragment heavy chain, MOR09825 Fab fragment light chain, ...
Authors:Sprague, E.R.
Deposit date:2014-03-15
Release date:2014-04-16
Last modified:2015-03-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:An antibody that locks HER3 in the inactive conformation inhibits tumor growth driven by HER2 or neuregulin.
Cancer Res., 73, 2013
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