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5XVK
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BU of 5xvk by Molmil
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
5YXZ
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BU of 5yxz by Molmil
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:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI484
To Be Published
5YY1
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BU of 5yy1 by Molmil
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
1F31
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BU of 1f31 by Molmil
CRYSTAL STRUCTURE OF CLOSTRIDIUM BOTULINUM NEUROTOXIN B COMPLEXED WITH A TRISACCHARIDE
Descriptor: BOTULINUM NEUROTOXIN TYPE B, N-acetyl-alpha-neuraminic acid-(2-3)-alpha-D-galactopyranose-(1-4)-alpha-D-glucopyranose, SULFATE ION, ...
Authors:Swaminathan, S, Eswaramoorthy, S.
Deposit date:2000-05-31
Release date:2000-11-01
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural analysis of the catalytic and binding sites of Clostridium botulinum neurotoxin B.
Nat.Struct.Biol., 7, 2000
1EPW
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BU of 1epw by Molmil
CRYSTAL STRUCTURE OF CLOSTRIDIUM NEUROTOXIN TYPE B
Descriptor: BOTULINUM NEUROTOXIN TYPE B, SULFATE ION, ZINC ION
Authors:Swaminathan, S, Eswaramoorthy, S.
Deposit date:2000-03-29
Release date:2000-11-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of the catalytic and binding sites of Clostridium botulinum neurotoxin B.
Nat.Struct.Biol., 7, 2000
1SE2
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BU of 1se2 by Molmil
STAPHYLOCOCCAL ENTEROTOXIN C2, MONOCLINIC FORM
Descriptor: STAPHYLOCOCCAL ENTEROTOXIN C2
Authors:Swaminathan, S, Sax, M.
Deposit date:1995-07-20
Release date:1996-03-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Residues defining V beta specificity in staphylococcal enterotoxins.
Nat.Struct.Biol., 2, 1995
1SE4
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BU of 1se4 by Molmil
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
1SE3
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BU of 1se3 by Molmil
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:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Residues defining V beta specificity in staphylococcal enterotoxins.
Nat.Struct.Biol., 2, 1995
7EU5
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BU of 7eu5 by Molmil
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
7ET7
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BU of 7et7 by Molmil
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
1B54
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BU of 1b54 by Molmil
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
1I4X
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BU of 1i4x by Molmil
STAPHYLOCOCCAL ENTEROTOXIN C2, MONOCLINIC FORM CRYSTALLIZED AT PH 8.0
Descriptor: ENTEROTOXIN TYPE C-2, ZINC ION
Authors:Swaminathan, S, Sax, M.
Deposit date:2001-02-23
Release date:2001-03-14
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of staphylococcal enterotoxin C2 at various pH levels.
Acta Crystallogr.,Sect.D, 57, 2001
5XVQ
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BU of 5xvq by Molmil
Crystal structure of monkey Nicotinamide N-methyltransferase (NNMT) bound with end product, 1-methyl Nicotinamide (MNA)
Descriptor: 3-carbamoyl-1-methylpyridin-1-ium, GLYCEROL, Nicotinamide N-methyltransferase (NNMT), ...
Authors:Birudukota, S, Swaminathan, 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 (2.29 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
5YJF
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BU of 5yjf by Molmil
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
2ETF
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BU of 2etf by Molmil
Crystal structure of full length botulinum neurotoxin (Type B) light chain
Descriptor: Botulinum neurotoxin B light chain, SULFATE ION, ZINC ION
Authors:Swaminathan, S, Eswaramoorthy, S.
Deposit date:2005-10-27
Release date:2005-12-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystal structure of full length botulinum neurotoxin (Type B) light chain
To be Published
2EUI
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BU of 2eui by Molmil
Crystal structure of a probable acetyltransferase
Descriptor: Probable acetyltransferase
Authors:Swaminathan, S, Eswaramoorthy, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2005-10-28
Release date:2005-12-06
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a probable acetyltransferase
To be Published
4LK5
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BU of 4lk5 by Molmil
Crystal structure of a enoyl-CoA hydratase from Mycobacterium avium subsp. paratuberculosis K-10
Descriptor: enoyl-CoA hydratase
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:2013-07-06
Release date:2013-07-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a enoyl-CoA hydratase from Mycobacterium avium subsp. paratuberculosis K-10
To be Published
4LKB
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BU of 4lkb by Molmil
Crystal structure of a putative 4-Oxalocrotonate Tautomerase from Nostoc sp. PCC 7120
Descriptor: GLYCEROL, SULFATE ION, hypothetical protein alr4568/putative 4-Oxalocrotonate Tautomerase
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:2013-07-07
Release date:2013-07-24
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of a putative 4-Oxalocrotonate Tautomerase from Nostoc sp. PCC 7120
To be Published
1QDF
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BU of 1qdf by Molmil
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
1QDI
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BU of 1qdi by Molmil
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
1QDH
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BU of 1qdh by Molmil
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
1QDK
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BU of 1qdk by Molmil
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
2ABQ
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BU of 2abq by Molmil
Crystal structure of fructose-1-phosphate kinase from Bacillus halodurans
Descriptor: PHOSPHATE ION, fructose 1-phosphate kinase
Authors:Eswaramoorthy, S, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2005-07-15
Release date:2005-08-02
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of fructose-1-phosphate kinase from Bacillus halodurans
To be Published
1CCD
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BU of 1ccd by Molmil
REFINED STRUCTURE OF RAT CLARA CELL 17 KDA PROTEIN AT 3.0 ANGSTROMS RESOLUTION
Descriptor: CLARA CELL 17 kD PROTEIN, SULFATE ION
Authors:Umland, T.C, Swaminathan, S, Furey, W, Singh, G, Pletcher, J, Sax, M.
Deposit date:1991-09-17
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Refined structure of rat Clara cell 17 kDa protein at 3.0 A resolution.
J.Mol.Biol., 224, 1992
2A97
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BU of 2a97 by Molmil
Crystal structure of catalytic domain of Clostridium botulinum neurotoxin serotype F
Descriptor: Botulinum neurotoxin type F, CADMIUM ION, ZINC ION
Authors:Agarwal, R, Binz, T, Swaminathan, S.
Deposit date:2005-07-11
Release date:2005-09-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of botulinum neurotoxin serotype f light chain: implications on substrate binding and inhibitor design
Biochemistry, 44, 2005

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