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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1B54
 | | CRYSTAL STRUCTURE OF A YEAST HYPOTHETICAL PROTEIN-A STRUCTURE FROM BNL'S HUMAN PROTEOME PROJECT | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, YEAST HYPOTHETICAL PROTEIN | | Authors: | Swaminathan, S, Eswaramoorthy, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 1999-01-12 | | Release date: | 1999-01-27 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of a yeast hypothetical protein selected by a structural genomics approach.
Acta Crystallogr.,Sect.D, 59, 2003
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1I4X
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8GOD
 | | Co-crystal structure of Human Protein-arginine deiminase type-4 (PAD4) with small molecule inhibitor JBI-589 | | Descriptor: | Protein-arginine deiminase type-4, [(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone | | Authors: | Swaminathan, S, Birudukota, S, Vaithilingam, K, Kandan, S, Asaithambi, K, Kathiresan, N, Gosu, R, Rajagopal, S, Sadhu, N. | | Deposit date: | 2022-08-24 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Alleviation of arthritis through prevention of neutrophil extracellular traps by an orally available inhibitor of protein arginine deiminase 4.
Sci Rep, 13, 2023
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5YXZ
 | | Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI484 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-8-fluoranyl-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, ... | | Authors: | Swaminathan, S, Thakur, M.K, Kandan, S, Gautam, A, Kanavalli, M, Simhadri, P, Gosu, R. | | Deposit date: | 2017-12-07 | | Release date: | 2018-04-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI484
To Be Published
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5YY1
 | | Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI739 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-8-fluoranyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, ... | | Authors: | Swaminathan, S, Thakur, M.K, Kandan, S, Gautam, A, Kanavalli, M, Simhadri, P, Gosu, R. | | Deposit date: | 2017-12-07 | | Release date: | 2018-04-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI739
To Be Published
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5XVK
 | | Crystal structure of mouse Nicotinamide N-methyltransferase (NNMT) bound with end product, 1-methyl Nicotinamide (MNA) | | Descriptor: | 3-carbamoyl-1-methylpyridin-1-ium, GLYCEROL, Nicotinamide N-methyltransferase, ... | | Authors: | Swaminathan, S, Birudukota, S, Thakur, M.K, Parveen, R, Kandan, S, Kannt, A, Gosu, R. | | Deposit date: | 2017-06-28 | | Release date: | 2017-08-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal structures of monkey and mouse nicotinamide N-methyltransferase (NNMT) bound with end product, 1-methyl nicotinamide
Biochem. Biophys. Res. Commun., 491, 2017
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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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1F31
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1SE2
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1SE4
 | | STAPHYLOCOCCAL ENTEROTOXIN B COMPLEXED WITH LACTOSE | | Descriptor: | STAPHYLOCOCCAL ENTEROTOXIN B, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Swaminathan, S, Sax, M. | | Deposit date: | 1997-04-16 | | Release date: | 1997-10-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Residues defining V beta specificity in staphylococcal enterotoxins.
Nat.Struct.Biol., 2, 1995
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1SE3
 | | STAPHYLOCOCCAL ENTEROTOXIN B COMPLEXED WITH GM3 TRISACCHARIDE | | Descriptor: | N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, STAPHYLOCOCCAL ENTEROTOXIN B | | Authors: | Swaminathan, S, Sax, M. | | Deposit date: | 1996-10-11 | | Release date: | 1997-06-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Residues defining V beta specificity in staphylococcal enterotoxins.
Nat.Struct.Biol., 2, 1995
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2EUI
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1EPW
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2ETF
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4M1A
 | | Crystal structure of a Domain of unknown function (DUF1904) from Sebaldella termitidis ATCC 33386 | | Descriptor: | Hypothetical protein | | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-08-02 | | Release date: | 2013-08-14 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of a Domain of unknown function (DUF1904) from Sebaldellatermitidis ATCC 33386
To be Published
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2A97
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2AFA
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1QDF
 | | THE NMR STUDY OF DNA QUADRUPLEX STRUCTURE, APTAMER (15MER) DNA | | Descriptor: | DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3') | | Authors: | Marathias, V.M, Wang, K.Y, Kumar, S, Swaminathan, S, Bolton, P.H. | | Deposit date: | 1996-04-11 | | Release date: | 1996-11-08 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Determination of the number and location of the manganese binding sites of DNA quadruplexes in solution by EPR and NMR in the presence and absence of thrombin.
J.Mol.Biol., 260, 1996
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1QDI
 | | THE NMR STUDY OF DNA QUADRUPLEX STRUCTURE, (12MER) DNA | | Descriptor: | DNA (5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3') | | Authors: | Marathias, V.M, Wang, K.Y, Kumar, S, Swaminathan, S, Bolton, P.H. | | Deposit date: | 1996-04-11 | | Release date: | 1996-11-08 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Determination of the number and location of the manganese binding sites of DNA quadruplexes in solution by EPR and NMR in the presence and absence of thrombin.
J.Mol.Biol., 260, 1996
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1QDH
 | | THE NMR STUDY OF DNA QUADRUPLEX STRUCTURE, APTAMER (15MER) DNA | | Descriptor: | DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3'), MANGANESE (II) ION | | Authors: | Marathias, V.M, Wang, K.Y, Kumar, S, Swaminathan, S, Bolton, P.H. | | Deposit date: | 1996-04-11 | | Release date: | 1996-11-08 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Determination of the number and location of the manganese binding sites of DNA quadruplexes in solution by EPR and NMR in the presence and absence of thrombin.
J.Mol.Biol., 260, 1996
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1QDK
 | | THE NMR STUDY OF DNA QUADRUPLEX STRUCTURE, (12MER) DNA | | Descriptor: | DNA (5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3'), MANGANESE (II) ION | | Authors: | Marathias, V.M, Wang, K.Y, Kumar, S, Swaminathan, S, Bolton, P.H. | | Deposit date: | 1996-04-11 | | Release date: | 1996-11-08 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Determination of the number and location of the manganese binding sites of DNA quadruplexes in solution by EPR and NMR in the presence and absence of thrombin.
J.Mol.Biol., 260, 1996
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2A9F
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2ABQ
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