3T8L
 
 | | Crystal Structure of adenine deaminase with Mn/Fe | | 分子名称: | Adenine deaminase 2, UNKNOWN ATOM OR ION | | 著者 | Bagaria, A, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2011-08-01 | | 公開日 | 2011-11-02 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | The catalase activity of diiron adenine deaminase.
Protein Sci., 20, 2011
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3GPV
 | | 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
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3H74
 | | Crystal structure of pyridoxal kinase from Lactobacillus plantarum | | 分子名称: | GLYCEROL, Pyridoxal kinase, 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 | 2009-04-24 | | 公開日 | 2009-05-26 | | 最終更新日 | 2021-02-10 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Crystal structure of pyridoxal kinase from Lactobacillus plantarum
To be Published
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3IBQ
 | | Crystal structure of pyridoxal kinase from Lactobacillus plantarum in complex with ATP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Pyridoxal kinase | | 著者 | Bagaria, A, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2009-07-16 | | 公開日 | 2009-07-28 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of pyridoxal kinase from Lactobacillus plantarum in complex with ATP
To be Published
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7JYC
 | | 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
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7K3T
 | | 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
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7K6D
 | | 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 | 2023-10-18 | | 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
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7K6E
 | | 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 | 2023-10-18 | | 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
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3HYO
 | | Crystal structure of pyridoxal kinase from Lactobacillus plantarum in complex with ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Pyridoxal kinase | | 著者 | Bagaria, A, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2009-06-22 | | 公開日 | 2009-06-30 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal structure of pyridoxal kinase from Lactobacillus plantarum in complex with ADP
To be Published
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7MNG
 | | 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
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7MRR
 | | 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
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1XEV
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1YXW
 | | 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
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2OGJ
 | | 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
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2QVC
 | | 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
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1XEG
 | | Crystal structure of human carbonic anhydrase II complexed with an acetate ion | | 分子名称: | ACETATE ION, Carbonic anhydrase II, ZINC ION | | 著者 | Mazumdar, P.A, Kumaran, D, Das, A.K, Swaminathan, S. | | 登録日 | 2004-09-10 | | 公開日 | 2005-09-27 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | A novel acetate-bound complex of human carbonic anhydrase II.
Acta Crystallogr.,Sect.F, 64, 2008
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1XFJ
 | | 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
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7MHK
 | | 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
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7MHN
 | | 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
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7MHO
 | | 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
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7MHH
 | | 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
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7MHI
 | | 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
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7MHQ
 | | 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
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7MHJ
 | | 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
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7MHP
 | | 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
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