3SXD
 
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7L5D
 | | The crystal structure of SARS-CoV-2 Main Protease in complex with demethylated analog of masitinib | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Tan, K, Maltseva, N.I, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-12-21 | | 公開日 | 2020-12-30 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Masitinib is a broad coronavirus 3CL inhibitor that blocks replication of SARS-CoV-2.
Science, 373, 2021
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3SXA
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3SXG
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2CSN
 | | BINARY COMPLEX OF CASEIN KINASE-1 WITH CKI7 | | 分子名称: | CASEIN KINASE-1, N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE, SULFATE ION | | 著者 | Xu, R.-M, Cheng, X. | | 登録日 | 1995-10-11 | | 公開日 | 1996-03-08 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for selectivity of the isoquinoline sulfonamide family of protein kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 93, 1996
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2VFO
 | | Low Temperature Structure of P22 Tailspike Protein Fragment (109-666), Mutant V125L | | 分子名称: | CALCIUM ION, GLYCEROL, P22 TAILSPIKE PROTEIN, ... | | 著者 | Becker, M, Mueller, J.J, Heinemann, U, Seckler, R. | | 登録日 | 2007-11-05 | | 公開日 | 2008-12-16 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Side-Chain Stacking and Beta-Helix Stability in P22 Tailspike Protein
To be Published
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2VFM
 | | Low Temperature Structure of P22 Tailspike Protein Fragment (109-666) | | 分子名称: | BIFUNCTIONAL TAIL PROTEIN, CALCIUM ION, GLYCEROL, ... | | 著者 | Becker, M, Mueller, J.J, Heinemann, U, Seckler, R. | | 登録日 | 2007-11-05 | | 公開日 | 2008-12-16 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Side-Chain Stacking and Beta-Helix Stability in P22 Tailspike Protein
To be Published
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2VFQ
 | | Low Temperature Structure of P22 Tailspike Protein Fragment (109-666), Mutant V450A | | 分子名称: | CALCIUM ION, GLYCEROL, P22 TAILSPIKE PROTEIN,, ... | | 著者 | Becker, M, Mueller, J.J, Heinemann, U, Seckler, R. | | 登録日 | 2007-11-05 | | 公開日 | 2008-12-16 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Side-Chain Stacking and Beta-Helix Stability in P22 Tailspike Protein
To be Published
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2VFN
 | | Low Temperature Structure of P22 Tailspike Protein Fragment (109-666), Mutant V125A | | 分子名称: | BIFUNCTIONAL TAIL PROTEIN, CALCIUM ION, GLYCEROL, ... | | 著者 | Becker, M, Mueller, J.J, Heinemann, U, Seckler, R. | | 登録日 | 2007-11-05 | | 公開日 | 2008-12-16 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Side-Chain Stacking and Beta-Helix Stability in P22 Tailspike Protein
To be Published
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2VFP
 | | Low Temperature Structure of P22 Tailspike Protein Fragment (109-666), Mutant V349L | | 分子名称: | CALCIUM ION, GLYCEROL, P22 TAILSPIKE PROTEIN, ... | | 著者 | Becker, M, Mueller, J.J, Heinemann, U, Seckler, R. | | 登録日 | 2007-11-05 | | 公開日 | 2008-12-16 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Side-Chain Stacking and Beta-Helix Stability in P22 Tailspike Protein
To be Published
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1CSN
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5T9U
 | | Discovery of a Potent Cyclophilin Inhibitor (Compound 3) based on Structural Simplification of Sanglifehrin A | | 分子名称: | 3-[(3-hydroxyphenyl)methyl]-10,12-dimethoxy-9,11-dimethyl-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone, Peptidyl-prolyl cis-trans isomerase A | | 著者 | Appleby, T.C, Steadman, V, Pettit, S, Schmitz, U, Mackman, R.L, Schultz, B. | | 登録日 | 2016-09-09 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.301 Å) | | 主引用文献 | Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
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5T9Z
 | | Discovery of a Potent Cyclophilin Inhibitor (Compound 6) based on Structural Simplification of Sanglifehrin A | | 分子名称: | 11-[(3-hydroxyphenyl)methyl]-18-methoxy-17-methyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | | 著者 | Appleby, T.C, Steadman, V, Pettit, S, Schmitz, U, Mackman, R.L, Schultz, B. | | 登録日 | 2016-09-09 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
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5TA2
 | | Discovery of a Potent Cyclophilin Inhibitor (Compound 7) based on Structural Simplification of Sanglifehrin A | | 分子名称: | 11-[(3-hydroxyphenyl)methyl]-18-methoxy-2,17-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | | 著者 | Appleby, T.C, Steadman, V, Pettit, S, Schmitz, U, Mackman, R.L, Schultz, B. | | 登録日 | 2016-09-09 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
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5TA4
 | | Discovery of a Potent Cyclophilin Inhibitor (Compound 8) based on Structural Simplification of Sanglifehrin A | | 分子名称: | 18-methoxy-2,11,17-trimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A, SULFATE ION | | 著者 | Appleby, T.C, Steadman, V, Pettit, S, Schmitz, U, Mackman, R.L, Schultz, B. | | 登録日 | 2016-09-09 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
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5T9W
 | | Discovery of a Potent Cyclophilin Inhibitor (Compound 5) based on Structural Simplification of Sanglifehrin A | | 分子名称: | 3-[(3-hydroxyphenyl)methyl]-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone, Peptidyl-prolyl cis-trans isomerase A | | 著者 | Appleby, T.C, Steadman, V, Pettit, P, Schmitz, U, Mackman, R.L, Schultz, B. | | 登録日 | 2016-09-09 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
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5V4K
 | | Crystal structure of NEDD4 LIR-fused human LC3B_2-119 | | 分子名称: | GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3B,Microtubule-associated proteins 1A/1B light chain 3B,Microtubule-associated proteins 1A/1B light chain 3B, SULFATE ION | | 著者 | Qiu, Y, Zheng, Y, Schulman, B. | | 登録日 | 2017-03-09 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.099 Å) | | 主引用文献 | Insights into links between autophagy and the ubiquitin system from the structure of LC3B bound to the LIR motif from the E3 ligase NEDD4.
Protein Sci., 26, 2017
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5TJK
 | | Crystal structure of GTA + A trisaccharide (native) | | 分子名称: | GLYCEROL, Histo-blood group ABO system transferase, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]octyl beta-D-galactopyranoside | | 著者 | Legg, M.S.G, Gagnon, S.M.L, Evans, S.V. | | 登録日 | 2016-10-04 | | 公開日 | 2017-06-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | High-resolution crystal structures and STD NMR mapping of human ABO(H) blood group glycosyltransferases in complex with trisaccharide reaction products suggest a molecular basis for product release.
Glycobiology, 27, 2017
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5TJN
 | | Crystal structure of GTB + B trisaccharide (native) | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Histo-blood group ABO system transferase, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]octyl beta-D-galactopyranoside | | 著者 | Legg, M.S.G, Gagnon, S.M.L, Evans, S.V. | | 登録日 | 2016-10-04 | | 公開日 | 2017-06-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | High-resolution crystal structures and STD NMR mapping of human ABO(H) blood group glycosyltransferases in complex with trisaccharide reaction products suggest a molecular basis for product release.
Glycobiology, 27, 2017
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5TJL
 | | Crystal structure of GTA + A trisaccharide (mercury derivative) | | 分子名称: | Histo-blood group ABO system transferase, MERCURY (II) ION, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]octyl beta-D-galactopyranoside | | 著者 | Legg, M.S.G, Gagnon, S.M.L, Evans, S.V. | | 登録日 | 2016-10-04 | | 公開日 | 2017-06-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | High-resolution crystal structures and STD NMR mapping of human ABO(H) blood group glycosyltransferases in complex with trisaccharide reaction products suggest a molecular basis for product release.
Glycobiology, 27, 2017
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5TJO
 | | Crystal structure of GTB + B trisaccharide (mercury derivative) | | 分子名称: | Histo-blood group ABO system transferase, MERCURY (II) ION, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]octyl beta-D-galactopyranoside | | 著者 | Legg, M.S.G, Gagnon, S.M.L, Evans, S.V. | | 登録日 | 2016-10-04 | | 公開日 | 2017-06-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | High-resolution crystal structures and STD NMR mapping of human ABO(H) blood group glycosyltransferases in complex with trisaccharide reaction products suggest a molecular basis for product release.
Glycobiology, 27, 2017
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