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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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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4FOT
 | | Crystal structure of Peptidyl- tRNA Hydrolase from Acinetobacter baumannii at 2.20 A resolution | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Yamini, S, Kaushik, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2012-06-21 | | Release date: | 2012-07-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 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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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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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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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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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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2ETF
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2EUI
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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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1CR3
 | | SOLUTION CONFORMATION OF THE (+)TRANS-ANTI-BENZO[G]CHRYSENE-DA ADDUCT OPPOSITE DT IN A DNA DUPLEX | | Descriptor: | BENZO[G]CHRYSENE, DNA (5'-D(*CP*TP*CP*TP*CP*AP*CP*TP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*AP*GP*TP*GP*AP*GP*AP*G)-3') | | Authors: | Suri, A.K, Mao, B, Amin, S, Geacintov, N.E, Patel, D.J. | | Deposit date: | 1999-08-12 | | Release date: | 2000-02-18 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution conformation of the (+)-trans-anti-benzo[g]chrysene-dA adduct opposite dT in a DNA duplex.
J.Mol.Biol., 292, 1999
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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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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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1VQW
 | | Crystal structure of a protein with similarity to flavin-containing monooxygenases and to mammalian dimethylalanine monooxygenases | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, PROTEIN WITH SIMILARITY TO FLAVIN-CONTAINING MONOOXYGENASES AND TO MAMMALIAN DIMETHYLALANINE MONOOXYGENASES | | Authors: | Eswaramoorthy, S, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2005-01-05 | | Release date: | 2005-01-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mechanism of action of a flavin-containing monooxygenase.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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4FGS
 | | Crystal structure of a probable dehydrogenase protein | | Descriptor: | Probable dehydrogenase protein, SULFATE ION | | Authors: | Eswaramoorthy, S, Rice, S, Chamala, 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: | 2012-06-04 | | Release date: | 2012-08-15 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Crystal structure of a probable dehydrogenase protein
To be Published
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4FB5
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4O8E
 | | Crystal structure of the complex of type I ribosome inactivating protein from Momordica balsamina with uridine triphosphate at 2.0 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, URIDINE 5'-TRIPHOSPHATE, ... | | Authors: | Pandey, S, Yamini, S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2013-12-27 | | Release date: | 2014-01-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the complex of type I ribosome inactivating protein from Momordica balsamina with uridine triphosphate at 2.0 A resolution
To be Published
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2G59
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3UMA
 | | Crystal structure of a hypothetical peroxiredoxin protein frm Sinorhizobium meliloti | | Descriptor: | Hypothetical peroxiredoxin protein, SULFATE ION | | Authors: | Eswaramoorthy, S, Chamala, 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: | 2011-11-12 | | Release date: | 2011-11-23 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of a hypothetical peroxiredoxin protein from Sinorhizobium meliloti
To be Published
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5D7V
 | | Crystal structure of PTK6 kinase domain | | Descriptor: | GLYCEROL, PHOSPHATE ION, Protein-tyrosine kinase 6 | | Authors: | Thakur, M.K, Birudukota, S, Swaminathan, S, Tyagi, R, Gosu, R. | | Deposit date: | 2015-08-14 | | Release date: | 2016-08-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystal structure of the kinase domain of human protein tyrosine kinase 6 (PTK6) at 2.33 angstrom resolution
Biochem.Biophys.Res.Commun., 478, 2016
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1FJ5
 | | TAMOXIFEN-DNA ADDUCT | | Descriptor: | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINIUM, 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: | Shimotakahara, S, Gorin, A, Kolbanovskiy, A, Kettani, A, Hingerty, B.E, Amin, S, Broyde, S, Geacintov, N, Patel, D.J. | | Deposit date: | 2000-08-07 | | Release date: | 2000-09-11 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Accomodation of S-cis-tamoxifen-N(2)-guanine adduct within a bent and widened DNA minor groove.
J.Mol.Biol., 302, 2000
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