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1F31
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BU of 1f31 by Molmil
CRYSTAL STRUCTURE OF CLOSTRIDIUM BOTULINUM NEUROTOXIN B COMPLEXED WITH A TRISACCHARIDE
分子名称: BOTULINUM NEUROTOXIN TYPE B, N-acetyl-alpha-neuraminic acid-(2-3)-alpha-D-galactopyranose-(1-4)-alpha-D-glucopyranose, SULFATE ION, ...
著者Swaminathan, S, Eswaramoorthy, S.
登録日2000-05-31
公開日2000-11-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural analysis of the catalytic and binding sites of Clostridium botulinum neurotoxin B.
Nat.Struct.Biol., 7, 2000
1EPW
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CRYSTAL STRUCTURE OF CLOSTRIDIUM NEUROTOXIN TYPE B
分子名称: BOTULINUM NEUROTOXIN TYPE B, SULFATE ION, ZINC ION
著者Swaminathan, S, Eswaramoorthy, S.
登録日2000-03-29
公開日2000-11-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of the catalytic and binding sites of Clostridium botulinum neurotoxin B.
Nat.Struct.Biol., 7, 2000
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)
分子名称: 3-carbamoyl-1-methylpyridin-1-ium, GLYCEROL, Nicotinamide N-methyltransferase, ...
著者Swaminathan, S, Birudukota, S, Thakur, M.K, Parveen, R, Kandan, S, Kannt, A, Gosu, R.
登録日2017-06-28
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-8-fluoranyl-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, ...
著者Swaminathan, S, Thakur, M.K, Kandan, S, Gautam, A, Kanavalli, M, Simhadri, P, Gosu, R.
登録日2017-12-07
公開日2018-04-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-8-fluoranyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, ...
著者Swaminathan, S, Thakur, M.K, Kandan, S, Gautam, A, Kanavalli, M, Simhadri, P, Gosu, R.
登録日2017-12-07
公開日2018-04-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI739
To Be Published
1DEG
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BU of 1deg by Molmil
THE LINKER OF DES-GLU84 CALMODULIN IS BENT AS SEEN IN THE CRYSTAL STRUCTURE
分子名称: CALCIUM ION, CALMODULIN
著者Raghunathan, S, Chandross, R, Cheng, B.P, Persechini, A, Sobottk, S.E, Kretsinger, R.H.
登録日1993-06-07
公開日1994-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The linker of des-Glu84-calmodulin is bent.
Proc.Natl.Acad.Sci.Usa, 90, 1993
1EYG
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BU of 1eyg by Molmil
Crystal structure of chymotryptic fragment of E. coli ssb bound to two 35-mer single strand DNAS
分子名称: SINGLE STRANDED 28-MER OF D(C), SINGLE-STRAND DNA-BINDING PROTEIN
著者Raghunathan, S, Waksman, G.
登録日2000-05-06
公開日2000-08-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the DNA binding domain of E. coli SSB bound to ssDNA.
Nat.Struct.Biol., 7, 2000
1SE3
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BU of 1se3 by Molmil
STAPHYLOCOCCAL ENTEROTOXIN B COMPLEXED WITH GM3 TRISACCHARIDE
分子名称: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, STAPHYLOCOCCAL ENTEROTOXIN B
著者Swaminathan, S, Sax, M.
登録日1996-10-11
公開日1997-06-16
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: STAPHYLOCOCCAL ENTEROTOXIN B, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Swaminathan, S, Sax, M.
登録日1997-04-16
公開日1997-10-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: STAPHYLOCOCCAL ENTEROTOXIN C2
著者Swaminathan, S, Sax, M.
登録日1995-07-20
公開日1996-03-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Residues defining V beta specificity in staphylococcal enterotoxins.
Nat.Struct.Biol., 2, 1995
1HNB
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BU of 1hnb by Molmil
CRYSTAL STRUCTURE OF HUMAN CLASS MU GLUTATHIONE TRANSFERASE GSTM2-2: EFFECTS OF LATTICE PACKING ON CONFORMATIONAL HETEROGENEITY
分子名称: GLUTATHIONE S-(2,4 DINITROBENZENE), GLUTATHIONE S-TRANSFERASE
著者Raghunathan, S, Chandross, R.J, Kretsinger, R.H, Allison, T.J, Penington, C.J, Rule, G.S.
登録日1993-10-15
公開日1994-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal structure of human class mu glutathione transferase GSTM2-2. Effects of lattice packing on conformational heterogeneity.
J.Mol.Biol., 238, 1994
1HNC
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BU of 1hnc by Molmil
CRYSTAL STRUCTURE OF HUMAN CLASS MU GLUTATHIONE TRANSFERASE GSTM2-2: EFFECTS OF LATTICE PACKING ON CONFORMATIONAL HETEROGENEITY
分子名称: GLUTATHIONE S-(2,4 DINITROBENZENE), GLUTATHIONE S-TRANSFERASE
著者Raghunathan, S, Chandross, R.J, Kretsinger, R.H, Allison, T.J, Penington, C.J, Rule, G.S.
登録日1993-10-15
公開日1994-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of human class mu glutathione transferase GSTM2-2. Effects of lattice packing on conformational heterogeneity.
J.Mol.Biol., 238, 1994
1HNA
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BU of 1hna by Molmil
CRYSTAL STRUCTURE OF HUMAN CLASS MU GLUTATHIONE TRANSFERASE GSTM2-2: EFFECTS OF LATTICE PACKING ON CONFORMATIONAL HETEROGENEITY
分子名称: GLUTATHIONE S-(2,4 DINITROBENZENE), GLUTATHIONE S-TRANSFERASE
著者Raghunathan, S, Chandross, R.J, Kretsinger, R.H, Allison, T.J, Penington, C.J, Rule, G.S.
登録日1993-10-15
公開日1994-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of human class mu glutathione transferase GSTM2-2. Effects of lattice packing on conformational heterogeneity.
J.Mol.Biol., 238, 1994
1KAW
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BU of 1kaw by Molmil
STRUCTURE OF SINGLE STRANDED DNA BINDING PROTEIN (SSB)
分子名称: SINGLE-STRANDED DNA BINDING PROTEIN
著者Raghunathan, S, Waksman, G.
登録日1996-12-06
公開日1997-12-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of the homo-tetrameric DNA binding domain of Escherichia coli single-stranded DNA-binding protein determined by multiwavelength x-ray diffraction on the selenomethionyl protein at 2.9-A resolution.
Proc.Natl.Acad.Sci.USA, 94, 1997
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)
分子名称: 3-carbamoyl-1-methylpyridin-1-ium, GLYCEROL, Nicotinamide N-methyltransferase (NNMT), ...
著者Birudukota, S, Swaminathan, S, Thakur, M.K, Parveen, R, Kandan, S, Kannt, A, Gosu, R.
登録日2017-06-28
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystal structures of monkey and mouse nicotinamide N-methyltransferase (NNMT) bound with end product, 1-methyl nicotinamide
Biochem. Biophys. Res. Commun., 491, 2017
6QMQ
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BU of 6qmq by Molmil
NF-YB/C Heterodimer in Complex with NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker
分子名称: Nuclear transcription factor Y subunit alpha, Nuclear transcription factor Y subunit beta, Nuclear transcription factor Y subunit gamma, ...
著者Kiehstaller, S, Jeganathan, S, Pearce, N.M, Wendt, M, Grossmann, T.N, Hennig, S.
登録日2019-02-08
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Constrained Peptides with Fine-Tuned Flexibility Inhibit NF-Y Transcription Factor Assembly.
Angew.Chem.Int.Ed.Engl., 58, 2019
6QMP
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BU of 6qmp by Molmil
NF-YB/C Heterodimer in Complex with NF-YA Peptide
分子名称: Nuclear transcription factor Y subunit alpha, Nuclear transcription factor Y subunit beta, Nuclear transcription factor Y subunit gamma
著者Kiehstaller, S, Jeganathan, S, Pearce, N.M, Wendt, M, Grossmann, T.N, Hennig, S.
登録日2019-02-08
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Constrained Peptides with Fine-Tuned Flexibility Inhibit NF-Y Transcription Factor Assembly.
Angew.Chem.Int.Ed.Engl., 58, 2019
6QMS
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BU of 6qms by Molmil
NF-YB/C Heterodimer in Complex with NF-YA-derived Peptide Stabilized with C11-Hydrocarbon Linker
分子名称: Nuclear transcription factor Y subunit alpha, Nuclear transcription factor Y subunit beta, Nuclear transcription factor Y subunit gamma
著者Kiehstaller, S, Jeganathan, S, Pearce, N.M, Wendt, M, Grossmann, T.N, Hennig, S.
登録日2019-02-08
公開日2019-10-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Constrained Peptides with Fine-Tuned Flexibility Inhibit NF-Y Transcription Factor Assembly.
Angew.Chem.Int.Ed.Engl., 58, 2019
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
分子名称: 6-methoxy-1-methyl-2H-pyridine-3-carboxamide, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Swaminathan, S, Birudukota, S, Thakur, M.K, Parveen, R, Kandan, S, Hallur, M.S, Rajagopal, S, Ruf, S, Dhakshinamoorthy, S, Kannt, A, Gosu, R.
登録日2017-10-10
公開日2018-03-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献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
分子名称: PYRIDOXAL-5'-PHOSPHATE, YEAST HYPOTHETICAL PROTEIN
著者Swaminathan, S, Eswaramoorthy, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日1999-01-12
公開日1999-01-27
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
分子名称: 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
著者Swaminathan, S, Gosu, R, Birudukota, S, Kandan, S, Vaithilingam, K.
登録日2021-05-16
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.731 Å)
主引用文献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
分子名称: 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
著者Swaminathan, S, Gosu, R, Birudukota, S, Kandan, S, Vaithilingam, K.
登録日2021-05-12
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Novel tricyclic small molecule inhibitors of Nicotinamide N-methyltransferase for the treatment of metabolic disorders.
Sci Rep, 12, 2022
2ETF
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BU of 2etf by Molmil
Crystal structure of full length botulinum neurotoxin (Type B) light chain
分子名称: Botulinum neurotoxin B light chain, SULFATE ION, ZINC ION
著者Swaminathan, S, Eswaramoorthy, S.
登録日2005-10-27
公開日2005-12-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystal structure of full length botulinum neurotoxin (Type B) light chain
To be Published
2EUI
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Crystal structure of a probable acetyltransferase
分子名称: Probable acetyltransferase
著者Swaminathan, S, Eswaramoorthy, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2005-10-28
公開日2005-12-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of a probable acetyltransferase
To be Published
2RHB
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BU of 2rhb by Molmil
Crystal structure of Nsp15-H234A mutant- Hexamer in asymmetric unit
分子名称: Uridylate-specific endoribonuclease
著者Palaninathan, S, Bhardwaj, K, Alcantara, J.M.O, Guarino, L, Yi, L.L, Kao, C.C, Sacchettini, J.
登録日2007-10-08
公開日2007-11-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and functional analyses of the severe acute respiratory syndrome coronavirus endoribonuclease Nsp15.
J.Biol.Chem., 283, 2008

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