6ZCR
 
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5M6Q
 | | Crystal Structure of Kutzneria albida transglutaminase | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, TETRAETHYLENE GLYCOL, ... | | 著者 | Steffen, W, Benz, J, Rudolph, M.G. | | 登録日 | 2016-10-25 | | 公開日 | 2017-07-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Discovery of a microbial transglutaminase enabling highly site-specific labeling of proteins.
J. Biol. Chem., 292, 2017
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6WVX
 | | Crystal structure of the first bromodomain of human BRD4 with benzodiazepine inhibitor | | 分子名称: | 6'-(4-chlorophenyl)-1'-methyl-8'-(1-methyl-1H-pyrazol-4-yl)spiro[cyclopropane-1,4'-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine], Bromodomain-containing protein 4 | | 著者 | Eron, S.J. | | 登録日 | 2020-05-07 | | 公開日 | 2021-09-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structural Characterization of Degrader-Induced Ternary Complexes Using Hydrogen-Deuterium Exchange Mass Spectrometry and Computational Modeling: Implications for Structure-Based Design.
Acs Chem.Biol., 16, 2021
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4AJJ
 | | rat LDHA in complex with 2-((3,4-dimethoxyphenyl)methyl))propanedioic acid and N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido-propanamide | | 分子名称: | 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Patel, J, Greenwood, R. | | 登録日 | 2012-02-16 | | 公開日 | 2012-03-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
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2YWP
 | | Crystal Structure of CHK1 with a Urea Inhibitor | | 分子名称: | 1-(5-CHLORO-2,4-DIMETHOXYPHENYL)-3-(5-CYANOPYRAZIN-2-YL)UREA, Serine/threonine-protein kinase Chk1 | | 著者 | Park, C. | | 登録日 | 2007-04-21 | | 公開日 | 2007-05-08 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Synthesis and biological evaluation of 1-(2,4,5-trisubstituted phenyl)-3-(5-cyanopyrazin-2-yl)ureas as potent Chk1 kinase inhibitors
Bioorg.Med.Chem.Lett., 16, 2006
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3DXJ
 | | Crystal structure of thermus thermophilus rna polymerase holoenzyme in complex with the antibiotic myxopyronin | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, BACTERIAL RNA POLYMERASE BETA SUBUNIT; CHAIN C, M, ... | | 著者 | Das, K, Arnold, E. | | 登録日 | 2008-07-24 | | 公開日 | 2008-10-14 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The RNA polymerase "switch region" is a target for inhibitors.
Cell(Cambridge,Mass.), 135, 2008
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6R5L
 | | Fragment AZ-006 binding at the p53pT387/14-3-3 sigma interface | | 分子名称: | 14-3-3 protein sigma, 4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ... | | 著者 | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. | | 登録日 | 2019-03-25 | | 公開日 | 2020-06-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.884 Å) | | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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6RHC
 | | Fragment AZ-003 binding at the TAZpS89/14-3-3 sigma interface | | 分子名称: | 14-3-3 protein sigma, 5-azanyl-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | | 著者 | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. | | 登録日 | 2019-04-19 | | 公開日 | 2020-06-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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6RKI
 | | Fragment AZ-023 binding at the p53pT387/14-3-3 sigma interface | | 分子名称: | 14-3-3 protein sigma, 5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | | 著者 | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. | | 登録日 | 2019-04-30 | | 公開日 | 2020-06-17 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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6RJZ
 | | Fragment AZ-015 binding at the p53pT387/14-3-3 sigma interface | | 分子名称: | 14-3-3 protein sigma, 7-(6-azanylpyridin-2-yl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ... | | 著者 | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. | | 登録日 | 2019-04-29 | | 公開日 | 2020-06-17 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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6RNU
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6S3C
 | | Fragment AZ-019 binding at the p53pT387/14-3-3 sigma interface | | 分子名称: | 14-3-3 protein sigma, 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide, CHLORIDE ION, ... | | 著者 | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. | | 登録日 | 2019-06-25 | | 公開日 | 2020-06-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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6SLX
 | | Fragment AZ-010 binding at the TAZpS89/14-3-3 sigma interface | | 分子名称: | 14-3-3 protein sigma, TAZpS89, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide | | 著者 | Ottmann, C, Wolter, M, Guillory, X, Genet, S, Somsen, B, Leysen, S, Castaldi, P. | | 登録日 | 2019-08-20 | | 公開日 | 2020-06-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.800045 Å) | | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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6S39
 | | Fragment AZ-018 binding at the p53pT387/14-3-3 sigma interface | | 分子名称: | 14-3-3 protein sigma, 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide, CALCIUM ION, ... | | 著者 | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. | | 登録日 | 2019-06-24 | | 公開日 | 2020-06-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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5TMF
 | | Re-refinement of thermus thermophilus RNA polymerase | | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | 著者 | Wang, J. | | 登録日 | 2016-10-12 | | 公開日 | 2016-11-23 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | On the validation of crystallographic symmetry and the quality of structures.
Protein Sci., 24, 2015
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2LQR
 | | NMR structure of Ig3 domain of palladin | | 分子名称: | Palladin | | 著者 | Beck, M.R, Dixon IV, R.D.S, Otey, C.A, Campbell, S.L, Murphy, G.S. | | 登録日 | 2012-03-13 | | 公開日 | 2013-01-23 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure and Function of Palladin's Actin Binding Domain.
J.Mol.Biol., 425, 2013
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2OAE
 | | Crystal structure of rat dipeptidyl peptidase (DPPIV) with thiazole-based peptide mimetic #31 | | 分子名称: | Dipeptidyl peptidase 4, N-{[(3S,5S)-5-(1,3-THIAZOLIDIN-3-YLCARBONYL)PYRROLIDIN-3-YL]METHYL}-1,3-THIAZOLE-4-CARBOXAMIDE, SULFATE ION | | 著者 | Longenecker, K.L, Shuai, Q, Patel, J, Wiedeman, P. | | 登録日 | 2006-12-15 | | 公開日 | 2007-02-27 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Pyrrolidine-constrained phenethylamines: The design of potent, selective, and pharmacologically efficacious dipeptidyl peptidase IV (DPP4) inhibitors from a lead-like screening hit.
Bioorg.Med.Chem.Lett., 17, 2007
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