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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
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
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
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
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
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
2RK9
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BU of 2rk9 by Molmil
The crystal structure of a glyoxalase/bleomycin resistance protein/dioxygenase superfamily member from Vibrio splendidus 12B01
Descriptor: Glyoxalase/bleomycin resistance protein/dioxygenase
Authors:Tyagi, R, Eswaramoorthy, S, Sauder, J.M, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-10-16
Release date:2007-10-30
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The crystal structure of a glyoxalase/bleomycin resistance protein/dioxygenase superfamily member from Vibrio splendidus 12B01.
To be Published
3V76
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BU of 3v76 by Molmil
The crystal structure of a flavoprotein from Sinorhizobium meliloti
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Flavoprotein
Authors:Zhang, Z, 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:2011-12-20
Release date:2012-01-04
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:The crystal structure of a flavoprotein from Sinorhizobium meliloti
TO BE PUBLISHED
3URH
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BU of 3urh by Molmil
Crystal structure of a dihydrolipoamide dehydrogenase from Sinorhizobium meliloti 1021
Descriptor: 1,2-ETHANEDIOL, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Kumaran, D, 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:2011-11-22
Release date:2011-12-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a dihydrolipoamide dehydrogenase from Sinorhizobium meliloti 1021
TO BE PUBLISHED
3V5N
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BU of 3v5n by Molmil
The crystal structure of oxidoreductase from Sinorhizobium meliloti
Descriptor: Oxidoreductase
Authors:Zhang, Z, 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:2011-12-16
Release date:2012-01-04
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:The crystal structure of oxidoreductase from Sinorhizobium meliloti
To be Published
3V8B
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BU of 3v8b by Molmil
Crystal Structure of a 3-ketoacyl-ACP reductase from Sinorhizobium meliloti 1021
Descriptor: Putative dehydrogenase, possibly 3-oxoacyl-[acyl-carrier protein] reductase
Authors:Kumaran, D, 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:2011-12-22
Release date:2012-01-11
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of a 3-ketoacyl-ACP reductase from Sinorhizobium meliloti 1021
To be Published
3D0C
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BU of 3d0c by Molmil
Crystal structure of dihydrodipicolinate synthase from Oceanobacillus iheyensis at 1.9 A resolution
Descriptor: Dihydrodipicolinate synthase
Authors:Satyanarayana, L, Eswaramoorthy, S, Sauder, J.M, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-05-01
Release date:2008-05-13
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of dihydrodipicolinate synthase from Oceanobacillus iheyensis at 1.9 A resolution.
To be Published
3LSZ
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BU of 3lsz by Molmil
Crystal structure of glutathione s-transferase from Rhodobacter sphaeroides
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLUTATHIONE, GLYCEROL, ...
Authors:Eswaramoorthy, S, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-02-14
Release date:2010-03-23
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of glutathione s-transferase from Rhodobacter sphaeroides
To be Published
3MKC
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BU of 3mkc by Molmil
Crystal structure of a putative racemase
Descriptor: racemase
Authors:Eswaramoorthy, S, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-04-14
Release date:2010-04-28
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of a putative racemase
To be Published
2RBB
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BU of 2rbb by Molmil
Crystal structure of a glyoxalase/bleomycin resistance protein/dioxygenase family enzyme from Burkholderia phytofirmans PsJN
Descriptor: Glyoxalase/bleomycin resistance protein/dioxygenase
Authors:Rao, K.N, Sauder, J.M, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-09-18
Release date:2007-10-16
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structure of a glyoxalase/bleomycin resistance protein/dioxygenase family enzyme from Burkholderia phytofirmans PsJN.
To be Published

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