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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
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
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
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
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
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:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Residues defining V beta specificity in staphylococcal enterotoxins.
Nat.Struct.Biol., 2, 1995
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
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
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
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
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
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
1AF9
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BU of 1af9 by Molmil
TETANUS NEUROTOXIN C FRAGMENT
Descriptor: TETANUS NEUROTOXIN
Authors:Umland, T.C, Wingert, L, Swaminathan, S, Furey, W.F, Schmidt, J.J, Sax, M.
Deposit date:1997-03-24
Release date:1998-04-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the receptor binding fragment HC of tetanus neurotoxin.
Nat.Struct.Biol., 4, 1997
4ZKT
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BU of 4zkt by Molmil
Crystal structure of the progenitor M complex of Clostridium botulinum type E neurotoxin
Descriptor: Bontoxilysin A, Botulinum neurotoxin type E, nontoxic-nonhemagglutinin component, ...
Authors:Eswaramoorthy, S, Swaminathan, S.
Deposit date:2015-04-30
Release date:2015-12-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Molecular Assembly of Clostridium botulinum progenitor M complex of type E.
Sci Rep, 5, 2015
5H2U
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BU of 5h2u by Molmil
Crystal structure of PTK6 Kinase Domain complexed with Dasatinib
Descriptor: GLYCEROL, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Protein-tyrosine kinase 6
Authors:Thakur, M.K, Birudukota, S, Swaminathan, S, Tyagi, R, Gosu, R.
Deposit date:2016-10-18
Release date:2017-01-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Co-crystal structures of PTK6: With Dasatinib at 2.24 angstrom , with novel imidazo[1,2-a]pyrazin-8-amine derivative inhibitor at 1.70 angstrom resolution
Biochem. Biophys. Res. Commun., 482, 2017
4ZJX
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BU of 4zjx by Molmil
Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with a Novel Cyclic Peptide Inhibitor
Descriptor: Botulinum neurotoxin type A, SULFATE ION, ZINC ION, ...
Authors:Kumaran, D, Swaminathan, S.
Deposit date:2015-04-29
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with a Novel Cyclic Peptide Inhibitor
To Be Published
1I1E
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BU of 1i1e by Molmil
CRYSTAL STRUCTURE OF CLOSTRIDIUM BOTULINUM NEUROTOXIN B COMPLEXED WITH DOXORUBICIN
Descriptor: BOTULINUM NEUROTOXIN TYPE B, DOXORUBICIN, SULFATE ION, ...
Authors:Eswaramoorthy, S, Kumaran, D, Swaminathan, S.
Deposit date:2001-02-01
Release date:2001-11-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic evidence for doxorubicin binding to the receptor-binding site in Clostridium botulinum neurotoxin B.
Acta Crystallogr.,Sect.D, 57, 2001
5DA3
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BU of 5da3 by Molmil
Crystal structure of PTK6 Kinase domain with inhibitor
Descriptor: (2-chloro-4-{[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone, GLYCEROL, Protein-tyrosine kinase 6
Authors:Thakur, M.K, Birudukota, S, Swaminathan, S, Battula, S.K, Vadivelu, S, Tyagi, R, Gosu, R.
Deposit date:2015-08-19
Release date:2016-08-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Co-crystal structures of PTK6: With Dasatinib at 2.24 angstrom , with novel imidazo[1,2-a]pyrazin-8-amine derivative inhibitor at 1.70 angstrom resolution
Biochem. Biophys. Res. Commun., 482, 2017
5D7V
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BU of 5d7v by Molmil
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
5YJI
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BU of 5yji by Molmil
Co-crystal structure of Mouse 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:Birudukota, S, Swaminathan, 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 (1.99 Å)
Cite:A small molecule inhibitor of Nicotinamide N-methyltransferase for the treatment of metabolic disorders.
Sci Rep, 8, 2018

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