4HOY
| Crystal structure of Peptidyl- tRNA Hydrolase from Acinetobacter baumannii at 1.78 A resolution | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Yamini, S, Kaushik, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2012-10-23 | Release date: | 2012-11-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | The Mode of Inhibitor Binding to Peptidyl-tRNA Hydrolase: Binding Studies and Structure Determination of Unbound and Bound Peptidyl-tRNA Hydrolase from Acinetobacter baumannii Plos One, 8, 2013
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5YJF
| Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with small molecule analog of Nicotinamide | Descriptor: | 6-methoxy-1-methyl-2H-pyridine-3-carboxamide, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Swaminathan, S, Birudukota, S, Thakur, M.K, Parveen, R, Kandan, S, Hallur, M.S, Rajagopal, S, Ruf, S, Dhakshinamoorthy, S, Kannt, A, Gosu, R. | Deposit date: | 2017-10-10 | Release date: | 2018-03-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | A small molecule inhibitor of Nicotinamide N-methyltransferase for the treatment of metabolic disorders. Sci Rep, 8, 2018
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4EMF
| Crystal structure of the complex of type I Ribosome inactivating protein in complex with 7n-methyl-8-hydroguanosine-5-p-diphosphate at 1.77 A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | Authors: | Yamini, S, Kushwaha, G.S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2012-04-12 | Release date: | 2012-05-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | First structural evidence of sequestration of mRNA cap structures by type 1 ribosome inactivating protein from Momordica balsamina. Proteins, 81, 2013
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4I47
| Crystal structure of the Ribosome inactivating protein complexed with methylated guanine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one, rRNA N-glycosidase | Authors: | Yamini, S, Kushwaha, G.S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2012-11-27 | Release date: | 2012-12-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | First structural evidence of sequestration of mRNA cap structures by type 1 ribosome inactivating protein from Momordica balsamina. Proteins, 81, 2013
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4IKO
| Structure of Peptidyl- tRNA Hydrolase from Acinetobacter baumannii at 1.90 A resolution | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Yamini, S, Kaushik, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2012-12-27 | Release date: | 2013-01-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Mode of Inhibitor Binding to Peptidyl-tRNA Hydrolase: Binding Studies and Structure Determination of Unbound and Bound Peptidyl-tRNA Hydrolase from Acinetobacter baumannii Plos One, 8, 2013
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4JY7
| Crystal structure of Acinetobacter baumannii Peptidyl-tRNA Hydrolase | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Yamini, S, Kaushik, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2013-03-29 | Release date: | 2013-04-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Mode of Inhibitor Binding to Peptidyl-tRNA Hydrolase: Binding Studies and Structure Determination of Unbound and Bound Peptidyl-tRNA Hydrolase from Acinetobacter baumannii Plos One, 8, 2013
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7EU5
| Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with tricyclic small molecule inhibitor JBSNF-000107 | Descriptor: | 6-fluoranyl-10-methyl-1,10-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Swaminathan, S, Gosu, R, Birudukota, S, Kandan, S, Vaithilingam, K. | Deposit date: | 2021-05-16 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.731 Å) | Cite: | Novel tricyclic small molecule inhibitors of Nicotinamide N-methyltransferase for the treatment of metabolic disorders. Sci Rep, 12, 2022
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7ET7
| Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with tricyclic small molecule inhibitor JBSNF-000028 | Descriptor: | 10-methyl-1,10-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Swaminathan, S, Gosu, R, Birudukota, S, Kandan, S, Vaithilingam, K. | Deposit date: | 2021-05-12 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Novel tricyclic small molecule inhibitors of Nicotinamide N-methyltransferase for the treatment of metabolic disorders. Sci Rep, 12, 2022
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2ETF
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2EUI
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3USX
| Crystal structure of PGRP-S complexed with Myristic Acid at 2.28 A resolution | Descriptor: | GLYCEROL, MYRISTIC ACID, Peptidoglycan recognition protein 1 | Authors: | Yamini, S, Sharma, P, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2011-11-24 | Release date: | 2012-01-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural basis of the binding of fatty acids to peptidoglycan recognition protein, PGRP-S through second binding site Arch.Biochem.Biophys., 529, 2013
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3V6Q
| Crystal structure of the complex of bovine lactoperoxidase with Carbon monoxide at 2.0 A resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yamini, S, Singh, A.K, Pandey, N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2011-12-20 | Release date: | 2012-02-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Bovine carbonyl lactoperoxidase structure at 2.0 angstrom resolution and infrared spectra as a function of pH. Protein J., 31, 2012
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2LZK
| NMR solution structure of an N2-guanine DNA adduct derived from the potent tumorigen dibenzo[a,l]pyrene: Intercalation from the minor groove with ruptured Watson-Crick base pairing | Descriptor: | (11S,12S,13S)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol, DNA (5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3') | Authors: | Tang, Y, Liu, Z, Ding, S, Lin, C.H, Cai, Y, Rodriguez, F.A, Sayer, J.M, Jerina, D.M, Amin, S, Broyde, S, Geacintov, N.E. | Deposit date: | 2012-10-04 | Release date: | 2012-11-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Nuclear Magnetic Resonance Solution Structure of an N(2)-Guanine DNA Adduct Derived from the Potent Tumorigen Dibenzo[a,l]pyrene: Intercalation from the Minor Groove with Ruptured Watson-Crick Base Pairing. Biochemistry, 51, 2012
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2MIW
| Nuclear magnetic resonance studies of N2-guanine adducts derived from the tumorigen dibenzo[a,l]pyrene in DNA: Impact of adduct stereochemistry, size, and local DNA structure on solution conformations | Descriptor: | (11R,12R,13R)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol, DNA_(5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3'), DNA_(5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3') | Authors: | Rodriguez, F.A, Liu, Z, Lin, C.H, Ding, S, Cai, Y, Kolbanovskiy, A, Kolbanovskiy, M, Amin, S, Broyde, S, Geacintov, N.E. | Deposit date: | 2013-12-20 | Release date: | 2014-04-02 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Nuclear Magnetic Resonance Studies of an N(2)-Guanine Adduct Derived from the Tumorigen Dibenzo[a,l]pyrene in DNA: Impact of Adduct Stereochemistry, Size, and Local DNA Sequence on Solution Conformations. Biochemistry, 53, 2014
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2MIV
| NMR studies of N2-guanine adducts derived from the tumorigen dibenzo[a,l]pyrene in DNA: Impact of adduct stereochemistry, size, and local DNA structure on solution conformations | Descriptor: | (11R,12R,13R)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol, DNA_(5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3'), DNA_(5'-D(*GP*GP*TP*AP*GP*GP*AP*TP*GP*G)-3') | Authors: | Rodriguez, F.A, Liu, Z, Lin, C.H, Ding, S, Cai, Y, Kolbanovskiy, A, Kolbanovskiy, M, Amin, S, Broyde, S, Geacintov, N.E. | Deposit date: | 2013-12-20 | Release date: | 2014-04-02 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Nuclear Magnetic Resonance Studies of an N(2)-Guanine Adduct Derived from the Tumorigen Dibenzo[a,l]pyrene in DNA: Impact of Adduct Stereochemistry, Size, and Local DNA Sequence on Solution Conformations. Biochemistry, 53, 2014
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3C4R
| Crystal structure of an uncharacterized protein encoded by cryptic prophage | Descriptor: | Uncharacterized protein | Authors: | Sugadev, R, Burley, S.K, Swaminathan, S, Ozyurt, S, Luz, J, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-01-30 | Release date: | 2008-02-19 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of an uncharacterized protein encoded by cryptic prophage. To be Published
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3JUL
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3K17
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3BQX
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3C8A
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3BQT
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3BZW
| Crystal structure of a putative lipase from Bacteroides thetaiotaomicron | Descriptor: | ACETATE ION, Putative lipase, SULFATE ION | Authors: | Palani, K, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-01-18 | Release date: | 2008-02-05 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal structure of a putative lipase from Bacteroides thetaiotaomicron. To be Published
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4DUP
| Crystal Structure of a quinone oxidoreductase from Rhizobium etli CFN 42 | Descriptor: | quinone oxidoreductase | Authors: | Kumaran, D, Rice, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-02-22 | Release date: | 2012-03-07 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal Structure of a quinone oxidoreductase from Rhizobium etli CFN 42 To be Published
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1Y9H
| Methylation of cytosine at C5 in a CpG sequence context causes a conformational switch of a benzo[a]pyrene diol epoxide-N2-guanine adduct in DNA from a minor groove alignment to intercalation with base displacement | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 5'-D(*CP*CP*AP*TP*(5CM)P*(BPG)P*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3' | Authors: | Zhang, N, Lin, C, Huang, X, Kolbanovskiy, A, Hingerty, B.E, Amin, S, Broyde, S, Geacintov, N.E, Patel, D.J. | Deposit date: | 2004-12-15 | Release date: | 2005-03-22 | Last modified: | 2024-04-24 | Method: | SOLUTION NMR | Cite: | Methylation of cytosine at C5 in a CpG sequence context causes a conformational switch of a benzo[a]pyrene diol epoxide-N2-guanine adduct in DNA from a minor groove alignment to intercalation with base displacement. J.Mol.Biol., 346, 2005
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6F8E
| PH domain from TgAPH | Descriptor: | Pleckstrin homology domain | Authors: | Darvill, N, Liu, B, Matthews, S, Soldati-Favre, D, Rouse, S, Benjamin, S, Blake, T, Dubois, D.J, Hammoudi, P.M, Pino, P. | Deposit date: | 2017-12-13 | Release date: | 2019-01-30 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structural Basis of Phosphatidic Acid Sensing by APH in Apicomplexan Parasites. Structure, 26, 2018
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