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1XFJ
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BU of 1xfj by Molmil
Crystal structure of protein CC_0490 from Caulobacter crescentus, Pfam DUF152
分子名称: ACETATE ION, BETA-MERCAPTOETHANOL, GLYCEROL, ...
著者Krishnamurthy, N.R, Kumaran, D, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2004-09-14
公開日2004-09-21
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of a conserved hypothetical protein from Caulobacter crescentus
To be Published
1YXW
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BU of 1yxw by Molmil
A common binding site for disialyllactose and a tri-peptide in the C-fragment of tetanus neurotoxin
分子名称: GLUTAMIC ACID, TRYPTOPHAN, TYROSINE, ...
著者Jayaraman, S, Eswaramoorthy, S, Kumaran, D, Swaminathan, S.
登録日2005-02-22
公開日2005-03-15
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Common binding site for disialyllactose and tri-peptide in C-fragment of tetanus neurotoxin
Proteins, 61, 2005
1YVG
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BU of 1yvg by Molmil
Structural analysis of the catalytic domain of tetanus neurotoxin
分子名称: Tetanus toxin, light chain, ZINC ION
著者Rao, K.N, Kumaran, D, Binz, T, Swaminathan, S.
登録日2005-02-15
公開日2005-03-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural analysis of the catalytic domain of tetanus neurotoxin.
Toxicon, 45, 2005
1YYN
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BU of 1yyn by Molmil
A common binding site for disialyllactose and a tri-peptide in the C-fragment of tetanus neurotoxin
分子名称: N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-alpha-D-galactopyranose-(1-4)-beta-D-glucopyranose, Tetanus toxin
著者Seetharaman, J, Eswaramoorthy, S, Kumaran, D, Swaminathan, S.
登録日2005-02-25
公開日2005-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Common binding site for disialyllactose and tri-peptide in C-fragment of tetanus neurotoxin
Proteins, 61, 2005
2OGJ
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BU of 2ogj by Molmil
Crystal structure of a dihydroorotase
分子名称: Dihydroorotase, IMIDAZOLE, ZINC ION
著者Sugadev, R, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-01-05
公開日2007-02-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Crystal structure of a dihydroorotase
To be Published
7K6E
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BU of 7k6e by Molmil
SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.63 A Resolution (Direct Vitrification)
分子名称: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
登録日2020-09-19
公開日2020-09-30
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
7JYC
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BU of 7jyc by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Narlaprevir
分子名称: (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ...
著者Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
登録日2020-08-30
公開日2020-09-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
7K3T
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BU of 7k3t by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) at 1.2 A Resolution and a Possible Capture of Zinc Binding Intermediate
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
登録日2020-09-13
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
7K6D
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BU of 7k6d by Molmil
SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.48 A Resolution (Cryo-protected)
分子名称: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
登録日2020-09-19
公開日2020-09-30
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
2FLB
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BU of 2flb by Molmil
Discovery of a Novel Hydroxy Pyrazole Based Factor IXa Inhibitor
分子名称: 2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, Coagulation factor VII, Tissue factor
著者Katz, B.A.
登録日2006-01-05
公開日2006-04-04
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of novel hydroxy pyrazole based factor IXa inhibitor.
Bioorg.Med.Chem.Lett., 16, 2006
1I4X
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BU of 1i4x by Molmil
STAPHYLOCOCCAL ENTEROTOXIN C2, MONOCLINIC FORM CRYSTALLIZED AT PH 8.0
分子名称: ENTEROTOXIN TYPE C-2, ZINC ION
著者Swaminathan, S, Sax, M.
登録日2001-02-23
公開日2001-03-14
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of staphylococcal enterotoxin C2 at various pH levels.
Acta Crystallogr.,Sect.D, 57, 2001
1GGQ
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BU of 1ggq by Molmil
OUTER SURFACE PROTEIN C (OSPC) OF BORRELIA BURGDORFERI STRAIN B31
分子名称: MAGNESIUM ION, OUTER SURFACE PROTEIN C
著者Dunn, J.J, Lawson, C.L.
登録日2000-09-14
公開日2001-03-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Crystal structure of outer surface protein C (OspC) from the Lyme disease spirochete, Borrelia burgdorferi.
EMBO J., 20, 2001
8WMP
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BU of 8wmp by Molmil
Crystal Structure of Mutant HisB from Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Tiwari, S, Mohini, M, Ahmad, M, Pal, R.K, Biswal, B.K.
登録日2023-10-04
公開日2024-10-09
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of Mutant HisB from Mycobacterium tuberculosis
To Be Published
8BYR
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BU of 8byr by Molmil
Crystal structure of MoaB2 protein from Mycobacterium smegmatis
分子名称: Molybdopterin biosynthesis protein
著者Narasimhan, S, Sanderova, H, Zidek, L, Krasny, L.
登録日2022-12-21
公開日2024-07-10
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献MoaB2 binds to sA in Mycobacterium smegmatis and modulates its activity and biological stability
To Be Published
8OFF
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BU of 8off by Molmil
Structure of BARD1 ARD-BRCTs in complex with H2AKc15ub nucleosomes (Map1)
分子名称: BRCA1 associated RING domain 1, DNA (142-MER), Histone H2A type 1, ...
著者Foglizzo, M, Burdett, H, Wilson, M.D, Zeqiraj, E.
登録日2023-03-15
公開日2023-10-11
最終更新日2023-11-22
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献BRCA1-BARD1 combines multiple chromatin recognition modules to bridge nascent nucleosomes.
Nucleic Acids Res., 51, 2023
8EUA
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BU of 8eua by Molmil
Structure of SARS-CoV2 PLpro bound to a covalent inhibitor
分子名称: Papain-like protease nsp3, SULFATE ION, ZINC ION, ...
著者Mathews, I.I, Pokhrel, S, Wakatsuki, S.
登録日2022-10-18
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Potent and selective covalent inhibition of the papain-like protease from SARS-CoV-2.
Nat Commun, 14, 2023
3ZGJ
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BU of 3zgj by Molmil
S221M V223F Y359A mutant of 4-Hydroxymandelate synthase from Streptomyces coelicolor
分子名称: (R)-MANDELIC ACID, 4-HYDROXYPHENYLPYRUVIC ACID DIOXYGENASE, COBALT (II) ION
著者Pratter, S, Straganz, G, Grogan, G.
登録日2012-12-18
公開日2013-10-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Inversion of Enantioselectivity of a Mononuclear Non-Heme Iron(II)-Dependent Hydroxylase by Tuning the Interplay of Metal Center Geometry and Protein Structure
Angew.Chem.Int.Ed.Engl., 52, 2013
5WRX
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BU of 5wrx by Molmil
VG13P structure in LPS
分子名称: analogue peptide VG13P
著者Datta, A, Bhunia, A.
登録日2016-12-04
公開日2017-05-10
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and Dynamic Insights into a Glycine-Mediated Short Analogue of a Designed Peptide in Lipopolysaccharide Micelles: Correlation Between Compact Structure and Anti-Endotoxin Activity.
Biochemistry, 56, 2017
5YHT
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BU of 5yht by Molmil
Crystal structure of a phosphatase from Mycobacterium tuberculosis in complex with its substrate
分子名称: Histidinol-phosphatase, L-histidinol, PHOSPHATE ION, ...
著者Biswal, B.K, Jha, B.
登録日2017-09-29
公開日2018-05-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Identification and structural characterization of a histidinol phosphate phosphatase fromMycobacterium tuberculosis
J. Biol. Chem., 293, 2018
1XKL
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BU of 1xkl by Molmil
Crystal Structure of Salicylic Acid-binding Protein 2 (SABP2) from Nicotiana tabacum, NESG Target AR2241
分子名称: 2-AMINO-4H-1,3-BENZOXATHIIN-4-OL, salicylic acid-binding protein 2
著者Forouhar, F, Chen, Y, Chiang, Y, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2004-09-29
公開日2004-11-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and biochemical studies identify tobacco SABP2 as a methyl salicylate esterase and implicate it in plant innate immunity
Proc.Natl.Acad.Sci.USA, 102, 2005
2M2C
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BU of 2m2c by Molmil
Solution structure of Duplex DNA
分子名称: DNA (5'-D(*CP*GP*CP*GP*TP*AP*GP*CP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*CP*AP*TP*GP*CP*TP*AP*CP*GP*CP*G)-3')
著者Ghosh, A, Kar, R.K, Chatterjee, S, Bhunia, A.
登録日2012-12-18
公開日2013-01-23
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Indolicidin targets duplex DNA: structural and mechanistic insight through a combination of spectroscopy and microscopy.
Chemmedchem, 9, 2014
2R0B
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BU of 2r0b by Molmil
Crystal structure of human tyrosine phosphatase-like serine/threonine/tyrosine-interacting protein
分子名称: GLYCEROL, SULFATE ION, Serine/threonine/tyrosine-interacting protein
著者Bonanno, J.B, Freeman, J, Bain, K.T, Iizuka, M, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-08-18
公開日2007-08-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
3C6B
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BU of 3c6b by Molmil
Reaction product of paraoxon and S-formylglutathione hydrolase W197I mutant
分子名称: S-formylglutathione hydrolase
著者Legler, P.M, Millard, C.B.
登録日2008-02-04
公開日2008-08-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structural characterization and reversal of the natural organophosphate resistance of a D-type esterase, Saccharomyces cerevisiae S-formylglutathione hydrolase.
Biochemistry, 47, 2008
2HFI
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BU of 2hfi by Molmil
Solution NMR Structure of Protein yppE from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR213
分子名称: Hypothetical protein yppE
著者Liu, G, Singarapu, K.K, Parish, D, Eletsky, A, Xu, D, Sukumaran, D, Ho, C.K, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2006-06-23
公開日2006-07-25
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution NMR structure of hypothetical protein yppE: Northeast Structural Genomics Consortium Target SR213
TO BE PUBLISHED
2KHV
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BU of 2khv by Molmil
Solution NMR structure of protein Nmul_A0922 from Nitrosospira multiformis. Northeast Structural Genomics Consortium target NmR38B.
分子名称: Phage integrase
著者Wu, Y, Mills, J.L, Wang, D, Ciccosanti, C, Sukumaran, D.K, Jiang, M, Garcia, E, Nair, R, Rost, B, Swapna, G.V.T, Acton, T.B, Xiao, R, Everett, J, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2009-04-13
公開日2009-04-21
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Solution NMR structure of protein Nmul_A0922 from Nitrosospira multiformis. Northeast Structural Genomics Consortium target NmR38B.
To be Published

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