5HO6
 
 | | CRYSTAL STRUCTURE OF CMET IN COMPLEX WITH CMPD. | | 分子名称: | 1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea, Hepatocyte growth factor receptor | | 著者 | Vallee, F, Houtmann, J. | | 登録日 | 2016-01-19 | | 公開日 | 2016-11-23 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844).
J.Med.Chem., 59, 2016
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5HOR
 | | Crystal structure of c-Met-M1250T in complex with SAR125844. | | 分子名称: | 1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea, Hepatocyte growth factor receptor | | 著者 | Vallee, F, Houtmann, J, Marquette, J.-P. | | 登録日 | 2016-01-19 | | 公開日 | 2016-11-23 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844).
J.Med.Chem., 59, 2016
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5HLW
 | | Crystal structure of c-Met mutant Y1230H in complex with compound 14 | | 分子名称: | 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(6-{[6-(thiophen-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)urea, CHLORIDE ION, Hepatocyte growth factor receptor | | 著者 | Vallee, F, Pouzieux, S, Marquette, J.P, Houtmann, J. | | 登録日 | 2016-01-15 | | 公開日 | 2016-11-23 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844).
J.Med.Chem., 59, 2016
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5HOA
 | | Crystal structure of c-Met L1195V in complex with SAR125844 | | 分子名称: | 1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea, Hepatocyte growth factor receptor | | 著者 | Vallee, F, Marquette, J.-P. | | 登録日 | 2016-01-19 | | 公開日 | 2016-11-23 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844).
J.Med.Chem., 59, 2016
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6ELP
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6EI5
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6ELN
 | | Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation | | 分子名称: | 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol, Heat shock protein HSP 90-alpha, SULFATE ION | | 著者 | Musil, D, Lehmann, M, Eggenweiler, H.-M. | | 登録日 | 2017-09-29 | | 公開日 | 2018-05-30 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
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6ELO
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6EL5
 | | Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation | | 分子名称: | 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-2-FLUORO-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE, Heat shock protein HSP 90-alpha | | 著者 | Musil, D, Lehmann, M, Eggenweiler, H.-M. | | 登録日 | 2017-09-27 | | 公開日 | 2018-05-30 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
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6EY9
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6EY8
 | | Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation | | 分子名称: | DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha, SULFATE ION, ... | | 著者 | Musil, D, Lehmann, M, Buchstaller, H.-P. | | 登録日 | 2017-11-11 | | 公開日 | 2018-05-30 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
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6EYA
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6EYB
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6F1N
 | | Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation | | 分子名称: | 4-[5-[2-aminocarbonyl-3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridin-4-yl]-2-methoxy-phenoxy]butanoic acid, Heat shock protein HSP 90-alpha, SULFATE ION | | 著者 | Musil, D, Lehmann, M, Eggenweiler, H.-M. | | 登録日 | 2017-11-22 | | 公開日 | 2018-05-30 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
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4R6R
 | | Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity. | | 分子名称: | 1,2-ETHANEDIOL, 4-nitrophenyl beta-D-galactopyranoside, Agglutinin alpha chain, ... | | 著者 | Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. | | 登録日 | 2014-08-26 | | 公開日 | 2015-02-18 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Acta Crystallogr.,Sect.D, 71, 2015
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4R6Q
 | | Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity. | | 分子名称: | 1,2-ETHANEDIOL, Agglutinin alpha chain, Agglutinin beta-3 chain, ... | | 著者 | Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. | | 登録日 | 2014-08-26 | | 公開日 | 2015-02-18 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Acta Crystallogr.,Sect.D, 71, 2015
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8HNS
 | | Crystal structure of an anti-CRISPR protein AcrIIC4 in apo form | | 分子名称: | GLYCEROL, anti-CRISPR protein AcrIIC4 | | 著者 | Sun, W, Cheng, Z, Yang, J, Wang, Y. | | 登録日 | 2022-12-08 | | 公開日 | 2023-07-19 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | | 主引用文献 | AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8HNW
 | | Crystal structure of HpaCas9-sgRNA surveillance complex bound to double-stranded DNA | | 分子名称: | CRISPR-associated endonuclease Cas9, Non-target strand, Target strand, ... | | 著者 | Sun, W, Cheng, Z, Wang, Y. | | 登録日 | 2022-12-08 | | 公開日 | 2023-07-19 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (3.41 Å) | | 主引用文献 | AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8HNT
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8HNV
 | | CryoEM structure of HpaCas9-sgRNA-dsDNA in the presence of AcrIIC4 | | 分子名称: | CRISPR-associated endonuclease Cas9, anti-CRISPR protein AcrIIC4, non-target strand, ... | | 著者 | Sun, W, Cheng, Z, Wang, J, Yang, X, Wang, Y. | | 登録日 | 2022-12-08 | | 公開日 | 2023-07-19 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation.
Proc.Natl.Acad.Sci.USA, 120, 2023
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4R6O
 | | Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity. | | 分子名称: | 1,2-ETHANEDIOL, 4-METHYL-2H-CHROMEN-2-ONE, Agglutinin alpha chain, ... | | 著者 | Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. | | 登録日 | 2014-08-26 | | 公開日 | 2015-02-18 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Acta Crystallogr.,Sect.D, 71, 2015
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7QNY
 | | The receptor binding domain of SARS-CoV-2 spike glycoprotein in complex with COVOX-58 and COVOX-158 Fabs | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-158 heavy chain, COVOX-158 light chain, ... | | 著者 | Zhou, D, Ren, J, Stuart, D.I. | | 登録日 | 2021-12-23 | | 公開日 | 2022-01-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
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4R6P
 | | Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity. | | 分子名称: | 1,2-ETHANEDIOL, 4-METHYL-2H-CHROMEN-2-ONE, Agglutinin alpha chain, ... | | 著者 | Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. | | 登録日 | 2014-08-26 | | 公開日 | 2015-02-18 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Acta Crystallogr.,Sect.D, 71, 2015
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4R6N
 | | Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity | | 分子名称: | 1,2-ETHANEDIOL, Agglutinin alpha chain, Agglutinin beta-3 chain, ... | | 著者 | Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. | | 登録日 | 2014-08-26 | | 公開日 | 2015-02-18 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Acta Crystallogr.,Sect.D, 71, 2015
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7QNW
 | | The receptor binding domain of SARS-CoV-2 Omicron variant spike glycoprotein in complex with Beta-55 and EY6A Fabs | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Beta-55 heavy chain, ... | | 著者 | Zhou, D, Ren, J, Stuart, D.I. | | 登録日 | 2021-12-23 | | 公開日 | 2022-01-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
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