1EPW
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5XVK
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![BU of 5xvk by Molmil](/molmil-images/mine/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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1F31
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5YXZ
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![BU of 5yxz by Molmil](/molmil-images/mine/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: | 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
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5YY1
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![BU of 5yy1 by Molmil](/molmil-images/mine/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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1SE4
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![BU of 1se4 by Molmil](/molmil-images/mine/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
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![BU of 1se3 by Molmil](/molmil-images/mine/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: | 2020-07-29 | 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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1SE2
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7EU5
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![BU of 7eu5 by Molmil](/molmil-images/mine/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
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![BU of 7et7 by Molmil](/molmil-images/mine/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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1I4X
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5YJF
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![BU of 5yjf by Molmil](/molmil-images/mine/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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5XVQ
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![BU of 5xvq by Molmil](/molmil-images/mine/5xvq) | 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
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1B54
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![BU of 1b54 by Molmil](/molmil-images/mine/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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2ETF
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2EUI
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3V8B
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![BU of 3v8b by Molmil](/molmil-images/mine/3v8b) | 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
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2GVC
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![BU of 2gvc by Molmil](/molmil-images/mine/2gvc) | Crystal structure of flavin-containing monooxygenase (FMO)from S.pombe and substrate (methimazole) complex | Descriptor: | 1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Eswaramoorthy, S, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2006-05-02 | Release date: | 2006-06-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Mechanism of action of a flavin-containing monooxygenase. Proc.Natl.Acad.Sci.Usa, 103, 2006
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2GU1
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![BU of 2gu1 by Molmil](/molmil-images/mine/2gu1) | Crystal structure of a zinc containing peptidase from vibrio cholerae | Descriptor: | SODIUM ION, ZINC ION, Zinc peptidase | Authors: | Sugadev, R, Kumaran, D, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2006-04-28 | Release date: | 2006-07-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of a putative lysostaphin peptidase from Vibrio cholerae. Proteins, 72, 2008
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2RK9
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![BU of 2rk9 by Molmil](/molmil-images/mine/2rk9) | 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
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3D0C
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![BU of 3d0c by Molmil](/molmil-images/mine/3d0c) | 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
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2GUW
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3LSZ
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![BU of 3lsz by Molmil](/molmil-images/mine/3lsz) | 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
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3MKC
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3CO8
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![BU of 3co8 by Molmil](/molmil-images/mine/3co8) | Crystal structure of alanine racemase from Oenococcus oeni | Descriptor: | Alanine racemase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Palani, K, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-03-27 | Release date: | 2008-04-08 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of alanine racemase from Oenococcus oeni with bound pyridoxal 5'-phosphate. Acta Crystallogr.,Sect.F, 69, 2013
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