Author results

3GWZ
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STRUCTURE OF THE MITOMYCIN 7-O-METHYLTRANSFERASE MMCR
Descriptor:MmcR, CALCIUM ION, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Singh, S., Chang, A., Bingman, C.A., Phillips Jr., G.N., Thorson, J.S.
Deposit date:2009-04-01
Release date:2010-04-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural characterization of the mitomycin 7-O-methyltransferase.
Proteins, 79, 2011
3GXO
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STRUCTURE OF THE MITOMYCIN 7-O-METHYLTRANSFERASE MMCR WITH BOUND MITOMYCIN A
Descriptor:MmcR, S-ADENOSYL-L-HOMOCYSTEINE, [(1aS,8S,8aR,8bS)-6,8a-dimethoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate, ...
Authors:Singh, S., Chang, A., Bingman, C.A., Phillips Jr., G.N., Thorson, J.S.
Deposit date:2009-04-02
Release date:2010-04-21
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural characterization of the mitomycin 7-O-methyltransferase.
Proteins, 79, 2011
5YDC
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CRYSTAL STRUCTURE OF MERCURY SOAKED C-TERMINAL DOMAIN OF RV1828 FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor:Uncharacterized HTH-type transcriptional regulator Rv1828, MERCURY (II) ION, SULFATE ION
Authors:Singh, S., Karthikeyan, S.
Deposit date:2017-09-12
Release date:2018-09-19
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural and biochemical characterization of Rv1828, a putative MerR transcription regulator from Mycobacterium tuberculosis
To Be Published
5YDD
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CRYSTAL STRUCTURE OF C-TERMINAL DOMAIN OF RV1828 FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor:Uncharacterized HTH-type transcriptional regulator Rv1828, SULFATE ION, (6R,8S,9S)-8-(hydroxymethyl)-6,11,11-tris(oxidanyl)-9-propyl-dodecanoic acid, ...
Authors:Singh, S., Karthiekeyan, S.
Deposit date:2017-09-12
Release date:2018-09-19
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and biochemical characterization of Rv1828, a putative MerR transcription regulator from Mycobacterium tuberculosis
To Be Published
1KFT
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SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF UVRC FROM E-COLI
Descriptor:Excinuclease ABC subunit C
Authors:Singh, S., Folkers, G.E., Bonvin, A.M.J.J., Boelens, R., Wechselberger, R., Niztayev, A., Kaptein, R.
Deposit date:2001-11-23
Release date:2002-11-20
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure and DNA-binding properties of the C-terminal domain of UvrC from E.coli
EMBO J., 21, 2002
1XO3
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SOLUTION STRUCTURE OF UBIQUITIN LIKE PROTEIN FROM MUS MUSCULUS
Descriptor:RIKEN cDNA 2900073H19
Authors:Singh, S., Tonelli, M., Tyler, R.C., Bahrami, A., Lee, M.S., Markley, J.L., Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2004-10-05
Release date:2004-10-19
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Three-dimensional structure of the AAH26994.1 protein from Mus musculus, a putative eukaryotic Urm1.
Protein Sci., 14, 2005
1XO8
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SOLUTION STRUCTURE OF AT1G01470 FROM ARABIDOPSIS THALIANA
Descriptor:At1g01470
Authors:Singh, S., Cornilescu, C.C., Tyler, R.C., Cornilescu, G., Tonelli, M., Lee, M.S., Markley, J.L., Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2004-10-06
Release date:2004-10-19
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of a late embryogenesis abundant protein (LEA14) from Arabidopsis thaliana, a cellular stress-related protein
Protein Sci., 14, 2005
1ZXF
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SOLUTION STRUCTURE OF A SELF-SACRIFICING RESISTANCE PROTEIN, CALC FROM MICROMONOSPORA ECHINOSPORA
Descriptor:CalC
Authors:Singh, S., Hager, M.H., Zhang, C., Griffith, B.R., Lee, M.S., Hallenga, K., Markley, J.L., Thorson, J.S., Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2005-06-08
Release date:2005-12-13
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structural insight into the self-sacrifice mechanism of enediyne resistance.
Acs Chem.Biol., 1, 2006
2GKD
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STRUCTURAL INSIGHT INTO SELF-SACRIFICE MECHANISM OF ENEDIYNE RESISTANCE
Descriptor:5'-D(*GP*CP*AP*TP*AP*TP*GP*AP*TP*AP*G)-3', 5'-D(*CP*TP*AP*TP*CP*AP*TP*AP*TP*GP*C)-3', CalC
Authors:Singh, S., Thorson, J.S.
Deposit date:2006-04-01
Release date:2006-08-22
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structural insight into the self-sacrifice mechanism of enediyne resistance.
Acs Chem.Biol., 1, 2006
2L65
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HADDOCK CALCULATED MODEL OF THE COMPLEX OF THE RESISTANCE PROTEIN CALC AND CALICHEAMICIN-GAMMA
Descriptor:CalC, 4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDE, 2,6-DIDEOXY-4-THIO-BETA-D-ALLOSEPYRANOSIDE, ...
Authors:Singh, S., Markley, J.L., Thorson, J.S., Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2010-11-15
Release date:2011-03-02
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structural insight into the self-sacrifice mechanism of enediyne resistance.
Acs Chem.Biol., 1, 2006
6MRO
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CRYSTAL STRUCTURE OF METHYL TRANSFERASE FROM METHANOSARCINA ACETIVORANS AT 1.6 ANGSTROMS RESOLUTION, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET MVR53.
Descriptor:methyl transferase from Methanosarcina acetivorans, S-ADENOSYL-L-HOMOCYSTEINE, CALCIUM ION, ...
Authors:Singh, S., Forouhar, F., Wang, C., Hunt, J.F., Northeast Structural Genomics Consortium (NESG)
Deposit date:2018-10-15
Release date:2018-10-24
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of a methyl transferase from Methanosarcina acetivorans at 1.6 Angstroms resolution.
To Be Published
3BUS
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CRYSTAL STRUCTURE OF REBM
Descriptor:Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:McCoy, J.G., Singh, S., Bingman, C.A., Thorson, J.S., Phillips Jr., G.N.
Deposit date:2008-01-03
Release date:2008-03-25
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure and mechanism of the rebeccamycin sugar 4'-O-methyltransferase RebM.
J.Biol.Chem., 283, 2008
4XAU
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CRYSTAL STRUCTURE OF ATS13 FROM ACTINOMADURA MELLIAURA
Descriptor:Putative aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Wang, F., Singh, S., Xu, W., Thorson, J.S., Phillips Jr., G.N., Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2014-12-15
Release date:2014-12-24
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (3.0012 Å)
Cite:Structural characterization of AtmS13, a putative sugar aminotransferase involved in indolocarbazole AT2433 aminopentose biosynthesis.
Proteins, 83, 2015
4XRR
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CRYSTAL STRUCTURE OF CALS8 FROM MICROMONOSPORA ECHINOSPORA (P294S MUTANT)
Descriptor:CalS8, GLYCEROL
Authors:Michalska, K., Bigelow, L., Endres, M., Babnigg, G., Bingman, C.A., Yennamalli, R.M., Singh, S., Kharel, M.K., Thorson, J.S., Phillips Jr., G.N., Joachimiak, A., Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-01-21
Release date:2015-02-11
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Characterization of CalS8, a TDP-alpha-D-Glucose Dehydrogenase Involved in Calicheamicin Aminodideoxypentose Biosynthesis.
J. Biol. Chem., 290, 2015
6EBE
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BIOREDUCTIVE 4-HYDROXY-3-NITRO-5-UREIDO-BENZENESULFONAMIDES SELECTIVELY TARGET THE TUMOR-ASSOCIATED CARBONIC ANHYDRASE ISOFORMS IX AND XII AND SHOW HYPOXIA-ENHANCED CYTOTOXICITY AGAINST HUMAN CANCER CELL LINES.
Descriptor:Carbonic anhydrase 2, ZINC ION, 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide
Authors:Singh, S., McKenna, R., Supuran, C.T., Nocentini, A., Lomelino, C., Lucarini, E., Bartolucci, G., Mannelli, L.D.C., Ghelardini, C., Gratteri, P.
Deposit date:2018-08-06
Release date:2018-11-28
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII showing hypoxia-enhanced anti-proliferative profiles.
J. Med. Chem., 2018
6ECZ
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BIOREDUCTIVE 4-HYDROXY-3-NITRO-5-UREIDO-BENZENESULFONAMIDES SELECTIVELY TARGET THE TUMOR-ASSOCIATED CARBONIC ANHYDRASE ISOFORMS IX AND XII AND SHOW HYPOXIA-ENHANCED CYTOTOXICITY AGAINST HUMAN CANCER CELL LINES.
Descriptor:Carbonic anhydrase 2, ZINC ION, 1-[3-nitro-2-oxidanyl-5-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]sulfonyl-phenyl]-3-[2,3,4,5,6-pentakis(fluoranyl)phenyl]urea
Authors:Singh, S., McKenna, R., Supuran, C.T., Nocentini, A., Lomelino, C., Lucarini, E., Bartolucci, G., Mannelli, L.D.C., Ghelardini, C., Gratteri, P.
Deposit date:2018-08-08
Release date:2018-11-28
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII showing hypoxia-enhanced anti-proliferative profiles.
J. Med. Chem., 2018
6EDA
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BIOREDUCTIVE 4-HYDROXY-3-NITRO-5-UREIDO-BENZENESULFONAMIDES SELECTIVELY TARGET THE TUMOR-ASSOCIATED CARBONIC ANHYDRASE ISOFORMS IX AND XII AND SHOW HYPOXIA-ENHANCED CYTOTOXICITY AGAINST HUMAN CANCER CELL LINES.
Descriptor:Carbonic anhydrase 2, ZINC ION, 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide
Authors:Singh, S., McKenna, R., Supuran, C.T., Nocentini, A., Lomelino, C., Lucarini, E., Bartolucci, G., Mannelli, L.D.C., Ghelardini, C., Gratteri, P.
Deposit date:2018-08-09
Release date:2018-11-28
Method:X-RAY DIFFRACTION (1.879 Å)
Cite:4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII showing hypoxia-enhanced anti-proliferative profiles.
J. Med. Chem., 2018
6EEA
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BIOREDUCTIVE 4-HYDROXY-3-NITRO-5-UREIDO-BENZENESULFONAMIDES SELECTIVELY TARGET THE TUMOR-ASSOCIATED CARBONIC ANHYDRASE ISOFORMS IX AND XII AND SHOW HYPOXIA-ENHANCED CYTOTOXICITY AGAINST HUMAN CANCER CELL LINES.
Descriptor:Carbonic anhydrase 2, ZINC ION, 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide
Authors:Singh, S., McKenna, R., Supuran, C.T., Nocentini, A., Lomelino, C., Lucarini, E., Bartolucci, G., Mannelli, L.D.C., Ghelardini, C., Gratteri, P.
Deposit date:2018-08-13
Release date:2018-11-28
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII showing hypoxia-enhanced anti-proliferative profiles.
J. Med. Chem., 2018
6EEH
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BIOREDUCTIVE 4-HYDROXY-3-NITRO-5-UREIDO-BENZENESULFONAMIDES SELECTIVELY TARGET THE TUMOR-ASSOCIATED CARBONIC ANHYDRASE ISOFORMS IX AND XII AND SHOW HYPOXIA-ENHANCED CYTOTOXICITY AGAINST HUMAN CANCER CELL LINES.
Descriptor:Carbonic anhydrase 2, ZINC ION, 1-[3-nitro-2-oxidanyl-5-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]sulfonyl-phenyl]-3-[2,3,4,5,6-pentakis(fluoranyl)phenyl]urea
Authors:Singh, S., McKenna, R., Supuran, C.T., Nocentini, A., Lomelino, C., Lucarini, E., Bartolucci, G., Mannelli, L.D.C., Ghelardini, C., Gratteri, P.
Deposit date:2018-08-14
Release date:2018-11-28
Method:X-RAY DIFFRACTION (1.629 Å)
Cite:4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII showing hypoxia-enhanced anti-proliferative profiles.
J. Med. Chem., 2018
6EEO
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BIOREDUCTIVE 4-HYDROXY-3-NITRO-5-UREIDO-BENZENESULFONAMIDES SELECTIVELY TARGET THE TUMOR-ASSOCIATED CARBONIC ANHYDRASE ISOFORMS IX AND XII AND SHOW HYPOXIA-ENHANCED CYTOTOXICITY AGAINST HUMAN CANCER CELL LINES.
Descriptor:Carbonic anhydrase 2, ZINC ION, 3-{[(4-fluoro-3-methylphenyl)carbamoyl]amino}-4-hydroxy-5-nitrobenzene-1-sulfonamide
Authors:Singh, S., McKenna, R., Supuran, C.T., Nocentini, A., Lomelino, C., Lucarini, E., Bartolucci, G., Mannelli, L.D.C., Ghelardini, C., Gratteri, P.
Deposit date:2018-08-15
Release date:2018-11-28
Method:X-RAY DIFFRACTION (1.719 Å)
Cite:4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII showing hypoxia-enhanced anti-proliferative profiles.
J. Med. Chem., 2018
5EYB
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X-RAY STRUCTURE OF REB1-TER COMPLEX
Descriptor:DNA-binding protein reb1, DNA (26-MER)
Authors:Jaiswal, R., Choudhury, M., Zaman, S., Singh, S., Santosh, V., Bastia, D., Escalante, C.R.
Deposit date:2015-11-24
Release date:2016-04-13
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Functional architecture of the Reb1-Ter complex of Schizosaccharomyces pombe.
Proc.Natl.Acad.Sci.USA, 113, 2016
4OW8
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CRYSTAL STRUCTURE OF KINASE DOMAIN OF PKNA FROM MTB
Descriptor:Serine/threonine-protein kinase PknA, GLYCEROL, SULFATE ION
Authors:Ravala, S.K., Singh, S., Yadav, G.S., Karthikeyan, S., Chakraborti, P.K.
Deposit date:2014-01-31
Release date:2015-02-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Evidence that phosphorylation of threonine in the GT motif triggers activation of PknA, a eukaryotic-type serine/threonine kinase from Mycobacterium tuberculosis.
Febs J., 282, 2015
2LUZ
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SOLUTION NMR STRUCTURE OF CALU16 FROM MICROMONOSPORA ECHINOSPORA, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET MIR12
Descriptor:CalU16
Authors:Ramelot, T.A., Yang, Y., Lee, H., Pederson, K., Lee, D., Kohan, E., Janjua, H., Xiao, R., Acton, T.B., Everett, J.K., Wrobel, R.L., Bingman, C.A., Singh, S., Thorson, J.S., Prestegard, J.H., Montelione, G.T., Phillips Jr., G.N., Kennedy, M.A., Enzyme Discovery for Natural Product Biosynthesis (NatPro), Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-06-22
Release date:2012-10-03
Last modified:2014-11-12
Method:SOLUTION NMR
Cite:Structure-Guided Functional Characterization of Enediyne Self-Sacrifice Resistance Proteins, CalU16 and CalU19.
Acs Chem.Biol., 9, 2014
4P6C
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STRUCTURE OF RIBB COMPLEXED WITH INHIBITOR 4PEH
Descriptor:3,4-dihydroxy-2-butanone 4-phosphate synthase, 4-PHOSPHO-D-ERYTHRONOHYDROXAMIC ACID
Authors:Islam, Z., Kumar, A., Singh, S., Salmon, L., Karthikeyan, S.
Deposit date:2014-03-24
Release date:2015-03-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural Basis for Competitive Inhibition of 3,4-Dihydroxy-2-butanone-4-phosphate Synthase from Vibrio cholerae.
J.Biol.Chem., 290, 2015
4P6D
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STRUCTURE OF RIBB COMPLEXED WITH PO4 ION
Descriptor:3,4-dihydroxy-2-butanone 4-phosphate synthase, 1,2-ETHANEDIOL, PHOSPHATE ION
Authors:Islam, Z., Kumar, A., Singh, S., Salmon, L., Karthikeyan, S.
Deposit date:2014-03-24
Release date:2015-03-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structural Basis for Competitive Inhibition of 3,4-Dihydroxy-2-butanone-4-phosphate Synthase from Vibrio cholerae.
J.Biol.Chem., 290, 2015