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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
2QVC
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BU of 2qvc by Molmil
Crystal structure of a periplasmic sugar ABC transporter from Thermotoga maritima
分子名称: Sugar ABC transporter, periplasmic sugar-binding protein, beta-D-glucopyranose
著者Palani, K, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-08-08
公開日2007-08-28
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of a periplasmic glucose-binding protein from Thermotoga maritima.
Acta Crystallogr.,Sect.F, 68, 2012
7MHH
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BU of 7mhh by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 277 K
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1908 Å)
主引用文献The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHN
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BU of 7mhn by Molmil
Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 277 K
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1908 Å)
主引用文献The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro )
Iucrj, 9, 2022
7MHJ
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BU of 7mhj by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 298 K and High Humidity
分子名称: 3C-like proteinase, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.0005 Å)
主引用文献The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHO
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BU of 7mho by Molmil
Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 298 K
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro )
Iucrj, 9, 2022
7MHP
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BU of 7mhp by Molmil
Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 298 K at high humidity
分子名称: 3C-like proteinase, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.0005 Å)
主引用文献The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro )
Iucrj, 9, 2022
7MHI
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BU of 7mhi by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 298 K
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHQ
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BU of 7mhq by Molmil
Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 310 K
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9601 Å)
主引用文献The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro )
Iucrj, 9, 2022
7MRR
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BU of 7mrr by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Leupeptin
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, LEUPEPTIN
著者Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
登録日2021-05-08
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.32 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
7MHK
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BU of 7mhk by Molmil
Crystal Structure of Apo/Unliganded SARS-CoV-2 Main Protease (Mpro) at 310 K
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9601 Å)
主引用文献The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MNG
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BU of 7mng by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor VBY-825 (Partial Occupancy)
分子名称: (2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name), 3C-like proteinase, DIMETHYL SULFOXIDE
著者Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
登録日2021-04-30
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 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
2QXY
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BU of 2qxy by Molmil
Crystal structure of a response regulator from Thermotoga maritima
分子名称: Response regulator, SULFATE ION
著者Palani, K, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-08-13
公開日2007-08-28
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of a response regulator from Thermotoga maritima.
To be Published
2UW1
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BU of 2uw1 by Molmil
Ivy Desaturase Structure
分子名称: (3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACID, FE (III) ION, PLASTID DELTA4 MULTIFUNCTIONAL ACYL-ACYL CARRIER PROTEIN DESATURASE, ...
著者Guy, J.E, Whittle, E, Kumaran, D, Lindqvist, Y, Shanklin, J.
登録日2007-03-15
公開日2007-05-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Crystal Structure of the Ivy {Delta}4-16:0-Acp Desaturase Reveals Structural Details of the Oxidized Active Site and Potential Determinants of Regioselectivity.
J.Biol.Chem., 282, 2007
1PV1
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BU of 1pv1 by Molmil
Crystal Structure Analysis of Yeast Hypothetical Protein: YJG8_YEAST
分子名称: Hypothetical 33.9 kDa esterase in SMC3-MRPL8 intergenic region
著者Millard, C, Kumaran, D, Eswaramoorthy, S, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2003-06-26
公開日2004-11-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 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
3NQB
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BU of 3nqb by Molmil
Crystal Structure of Adenine Deaminase from Agrobacterium tumefaciens (str. C 58)
分子名称: Adenine deaminase 2, MANGANESE (II) ION
著者Bagaria, A, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2010-06-29
公開日2010-07-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal Structure of Adenine Deaminase from Agrobacterium tumefaciens (str. C 58)
To be Published
3D3A
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BU of 3d3a by Molmil
Crystal structure of a beta-galactosidase from Bacteroides thetaiotaomicron
分子名称: Beta-galactosidase
著者Palani, K, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-05-09
公開日2008-05-27
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of a beta-galactosidase from Bacteroides thetaiotaomicron.
To be Published
3OVG
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BU of 3ovg by Molmil
The crystal structure of an amidohydrolase from Mycoplasma synoviae with Zn ion bound
分子名称: PHOSPHATE ION, ZINC ION, amidohydrolase
著者Zhang, Z, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2010-09-16
公開日2010-10-13
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.059 Å)
主引用文献The crystal structure of an amidohydrolase from Mycoplasma synoviae with Zn ion bound
To be Published
3DEB
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BU of 3deb by Molmil
Crystal Structure of apo form (Zinc removed) of the Botulinum Neurotoxin Type C Light Chain
分子名称: ACETATE ION, Botulinum neurotoxin C1 light chain, CALCIUM ION, ...
著者Rawat, R, Kumaran, D, Swaminathan, S.
登録日2008-06-09
公開日2009-04-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of apo form (Zinc removed) of the Botulinum Neurotoxin Type C Light Chain
To be Published
3G7S
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BU of 3g7s by Molmil
Crystal structure of a long-chain-fatty-acid-CoA ligase (FadD1) from Archaeoglobus fulgidus
分子名称: Long-chain-fatty-acid--CoA ligase (FadD-1)
著者Palani, K, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-02-10
公開日2009-03-03
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of a long-chain-fatty-acid-CoA ligase (FadD1) from Archaeoglobus fulgidus
To be Published
3GBV
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BU of 3gbv by Molmil
Crystal structure of a putative LacI transcriptional regulator from Bacteroides fragilis
分子名称: 1,2-ETHANEDIOL, Putative LacI-family transcriptional regulator, SODIUM ION
著者Syed Ibrahim, B, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-02-20
公開日2009-03-10
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a putative LacI transcriptional regulator from Bacteroides fragilis
To be Published
3GRA
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BU of 3gra by Molmil
Crystal structure of AraC family transcriptional regulator from Pseudomonas putida
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, SULFATE ION, ...
著者Bagaria, A, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-03-25
公開日2009-04-14
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of AraC family transcriptional regulator from Pseudomonas putida
To be Published
3GPV
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BU of 3gpv by Molmil
Crystal structure of a transcriptional regulator, MerR family from Bacillus thuringiensis
分子名称: Transcriptional regulator, MerR family
著者Palani, K, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-03-23
公開日2009-04-14
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a transcriptional regulator, MerR family from Bacillus thuringiensis
To be Published
3GVX
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BU of 3gvx by Molmil
Crystal structure of Glycerate dehydrogenase related protein from Thermoplasma acidophilum
分子名称: Glycerate dehydrogenase related protein, POTASSIUM ION
著者Syed Ibrahim, B, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-03-31
公開日2009-04-28
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of Glycerate dehydrogenase related protein from Thermoplasma acidophilum
To be Published
3SMD
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BU of 3smd by Molmil
Crystal structure of a mut/nudix family protein from bacillus thuringiensis
分子名称: MutT/NUDIX family protein
著者Palani, K, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2011-06-27
公開日2011-07-20
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal structure of a mut/nudix family protein from bacillus thuringiensis
To be Published

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