5BUX
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![BU of 5bux by Molmil](/molmil-images/mine/5bux) | |
1NKQ
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![BU of 1nkq by Molmil](/molmil-images/mine/1nkq) | Crystal structure of yeast ynq8, a fumarylacetoacetate hydrolase family protein | 分子名称: | ACETIC ACID, CALCIUM ION, Hypothetical 28.8 kDa protein in PSD1-SKO1 intergenic region, ... | 著者 | Eswaramoorthy, S, Kumaran, D, Daniels, B, Studier, F.W, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2003-01-03 | 公開日 | 2004-06-15 | 最終更新日 | 2021-02-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crtystal Structure of Yeast Hypothetical Protein YNQ8_YEAST To be Published
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7MHF
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![BU of 7mhf by Molmil](/molmil-images/mine/7mhf) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 100 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 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.55 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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7MHG
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![BU of 7mhg by Molmil](/molmil-images/mine/7mhg) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 240 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 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.5302 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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7MHL
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![BU of 7mhl by Molmil](/molmil-images/mine/7mhl) | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 100 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 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.55 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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7MHM
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![BU of 7mhm by Molmil](/molmil-images/mine/7mhm) | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 240 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 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.5302 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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5BUY
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![BU of 5buy by Molmil](/molmil-images/mine/5buy) | |
5BUW
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![BU of 5buw by Molmil](/molmil-images/mine/5buw) | |
3LM4
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![BU of 3lm4 by Molmil](/molmil-images/mine/3lm4) | Crystal Structure of 2,3-Dihydroxy Biphenyl dioxygenase from Rhodococcus sp. (strain RHA1) | 分子名称: | (2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOIC ACID, Catechol 2,3-dioxygenase, FE (III) 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 | 2010-01-29 | 公開日 | 2010-02-23 | 最終更新日 | 2021-02-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal Structure of 2,3-Dihydroxy Biphenyl dioxygenase from Rhodococcus sp. (strain RHA1) To be Published
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3NQB
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![BU of 3nqb by Molmil](/molmil-images/mine/3nqb) | |
3OVG
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![BU of 3ovg by Molmil](/molmil-images/mine/3ovg) | 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
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1I1E
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![BU of 1i1e by Molmil](/molmil-images/mine/1i1e) | CRYSTAL STRUCTURE OF CLOSTRIDIUM BOTULINUM NEUROTOXIN B COMPLEXED WITH DOXORUBICIN | 分子名称: | BOTULINUM NEUROTOXIN TYPE B, DOXORUBICIN, SULFATE ION, ... | 著者 | Eswaramoorthy, S, Kumaran, D, Swaminathan, S. | 登録日 | 2001-02-01 | 公開日 | 2001-11-21 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystallographic evidence for doxorubicin binding to the receptor-binding site in Clostridium botulinum neurotoxin B. Acta Crystallogr.,Sect.D, 57, 2001
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7JYC
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![BU of 7jyc by Molmil](/molmil-images/mine/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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7K6D
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![BU of 7k6d by Molmil](/molmil-images/mine/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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7K3T
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![BU of 7k3t by Molmil](/molmil-images/mine/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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7K6E
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![BU of 7k6e by Molmil](/molmil-images/mine/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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1YXW
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![BU of 1yxw by Molmil](/molmil-images/mine/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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1YVG
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![BU of 1yvg by Molmil](/molmil-images/mine/1yvg) | 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
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1YYN
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![BU of 1yyn by Molmil](/molmil-images/mine/1yyn) | 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
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1XEV
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![BU of 1xev by Molmil](/molmil-images/mine/1xev) | |
1XEG
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![BU of 1xeg by Molmil](/molmil-images/mine/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
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![BU of 1xfj by Molmil](/molmil-images/mine/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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3D3A
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![BU of 3d3a by Molmil](/molmil-images/mine/3d3a) | |
3DEB
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![BU of 3deb by Molmil](/molmil-images/mine/3deb) | |
1TH3
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![BU of 1th3 by Molmil](/molmil-images/mine/1th3) | Crystal structure of NADPH depleted bovine live catalase complexed with cyanide | 分子名称: | CYANIDE ION, Catalase, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Sugadev, R, Balasundaresan, D, Ponnuswamy, M.N, Kumaran, D, Swaminathan, S, Sekar, K. | 登録日 | 2004-06-01 | 公開日 | 2005-07-05 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The crystal structure of bovine liver catalase TO BE PUBLISHED
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