8EXO
 
 | | Crystal structure of PI3K-alpha in complex with compound 19 | | 分子名称: | 1-{(4S,11aM)-2-[(4R)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-prolinamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | | 登録日 | 2022-10-25 | | 公開日 | 2022-11-30 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
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8EXU
 | | Crystal structure of PI3K-alpha in complex with compound 30 | | 分子名称: | (2S)-2-cyclopropyl-2-({(4S,11aM)-2-[(4S)-2-oxo-4-(trifluoromethyl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}amino)acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | | 登録日 | 2022-10-25 | | 公開日 | 2022-11-30 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
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8EXV
 | | Crystal structure of PI3K-alpha in complex with compound 32 | | 分子名称: | N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | | 登録日 | 2022-10-25 | | 公開日 | 2022-11-30 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
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8KCQ
 | | Solution structures of the N-terminal divergent caplonin homology (NN-CH) domains of human intraflagellar transport protein 54 | | 分子名称: | TRAF3-interacting protein 1 | | 著者 | Dang, W, Kuwasako, K, He, F, Takahashi, M, Tsuda, K, Nagata, T, Tanaka, A, Kobayashi, N, Kigawa, T, Guentert, P, Shirouzu, M, Yokoyama, S, Muto, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2023-08-08 | | 公開日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | 1 H, 13 C, and 15 N resonance assignments and solution structure of the N-terminal divergent calponin homology (NN-CH) domain of human intraflagellar transport protein 54.
Biomol.Nmr Assign., 18, 2024
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5NYH
 | | Crystal Structure of Hsp90-alpha N-Domain in complex with Indazole derivative | | 分子名称: | Heat shock protein HSP 90-alpha, ~{N}-methyl-~{N}-(4-morpholin-4-ylphenyl)-6-oxidanyl-3-pyrrolidin-1-ylcarbonyl-2~{H}-indazole-5-carboxamide | | 著者 | Amaral, M. | | 登録日 | 2017-05-11 | | 公開日 | 2018-04-18 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors.
J. Med. Chem., 61, 2018
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6GCR
 | | Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor | | 分子名称: | 2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide, Focal adhesion kinase 1 | | 著者 | Yen-Pon, E, Li, B, Acebron-Garcia de Eulate, M, Tomkiewicz-Raulet, C, Dawson, J, Lietha, D, Frame, M.C, Coumoul, X, Garbay, C, Etheve-Quelquejeu, M, Chen, H. | | 登録日 | 2018-04-19 | | 公開日 | 2019-05-01 | | 最終更新日 | 2019-10-02 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Based Design, Synthesis, and Characterization of the First Irreversible Inhibitor of Focal Adhesion Kinase.
Acs Chem.Biol., 13, 2018
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5DFK
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2UYD
 | | Crystal structure of the SmHasA mutant H83A | | 分子名称: | ACETATE ION, HEMOPHORE HASA, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Czjzek, M, Caillet-Saguy, C, Fournelle, A, Guigliarelli, B, Izadi-Pruneyre, N, Lecroisey, A. | | 登録日 | 2007-04-04 | | 公開日 | 2007-12-25 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Deciphering the Structural Role of Histidine 83 for Heme Binding in Hemophore Hasa.
J.Biol.Chem., 283, 2008
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5OCQ
 | | Crystal structure of the complex of the kappa-carrageenase from Pseudoalteromonas carrageenovora with an oligotetrasaccharide of kappa-carrageenan | | 分子名称: | 3,6-anhydro-D-galactose, 4-O-sulfo-beta-D-galactopyranose, CITRIC ACID, ... | | 著者 | Czjzek, M, Leroux, C, Bernard, T, Matard-Mann, M, Jeudy, A, Michel, G. | | 登録日 | 2017-07-03 | | 公開日 | 2017-10-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural insights into marine carbohydrate degradation by family GH16 kappa-carrageenases.
J. Biol. Chem., 292, 2017
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8JRD
 | | Chalcone synthase from Glycine max (L.) Merr (soybean) complexed with naringenin and coenzyme A | | 分子名称: | 1,2-ETHANEDIOL, COENZYME A, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Waki, T, Imaizumi, R, Nakata, S, Yanai, T, Takeshita, K, Sakai, N, Kataoka, K, Yamamoto, M, Nakayama, T, Yamashita, S. | | 登録日 | 2023-06-16 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Structural insights into catalytic promiscuity of chalcone synthase from Glycine max (L.) Merr.: Coenzyme A-induced alteration of product specificity.
Biochem.Biophys.Res.Commun., 718, 2024
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6X1B
 | | Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with the Product Nucleotide GpU. | | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-R(*GP*U)-3'), PHOSPHATE ION, ... | | 著者 | Kim, Y, Maltseva, N, Jedrzejczak, R, Welk, L, Endres, M, Chang, C, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-05-18 | | 公開日 | 2020-05-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Commun Biol, 4, 2021
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7JOD
 | | Crytsal structure of BbKI complexed with Human Kallikrein 4 | | 分子名称: | CADMIUM ION, CHLORIDE ION, Kallikrein 4 (Prostase, ... | | 著者 | Li, M, Wlodawer, A, Gustchina, A. | | 登録日 | 2020-08-06 | | 公開日 | 2021-07-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI
Acta Crystallogr.,Sect.D, 77, 2021
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7JOW
 | | Crystal structure of BbKI complexed with Human Kallikrein 4 | | 分子名称: | CADMIUM ION, CHLORIDE ION, Kallikrein 4 (Prostase, ... | | 著者 | Li, M, Wlodawer, A, Gustchina, A. | | 登録日 | 2020-08-07 | | 公開日 | 2021-07-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI
Acta Crystallogr.,Sect.D, 77, 2021
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7JQO
 | | Crystal structure of the R64D mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Human Kallikrein 4 | | 分子名称: | CADMIUM ION, CHLORIDE ION, Kallikrein-4, ... | | 著者 | Li, M, Wlodawer, A, Gustchina, A. | | 登録日 | 2020-08-11 | | 公開日 | 2021-07-21 | | 最終更新日 | 2021-08-11 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI.
Acta Crystallogr D Struct Biol, 77, 2021
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5DL8
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7JRX
 | | Crystal structure of the R64F mutant of Bauhinia Bauhinioides complexed with Bovine Chymotrypsin | | 分子名称: | Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ... | | 著者 | Li, M, Wlodawer, A, Gustchina, A. | | 登録日 | 2020-08-13 | | 公開日 | 2021-07-21 | | 最終更新日 | 2021-08-11 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI.
Acta Crystallogr D Struct Biol, 77, 2021
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7JOS
 | | Crystal structure of BbKI complexed with Human Kallikrein 4 | | 分子名称: | Kallikrein 4 (Prostase, enamel matrix, prostate), ... | | 著者 | Li, M, Wlodawer, A, Gustchina, A. | | 登録日 | 2020-08-07 | | 公開日 | 2021-07-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI
Acta Crystallogr.,Sect.D, 77, 2021
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7JOE
 | | Crystal structure of BbKI complexed with Human Kallikrein 4 | | 分子名称: | Kallikrein 4 (Prostase, enamel matrix, prostate), ... | | 著者 | Li, M, Wlodawer, A, Gustchina, A. | | 登録日 | 2020-08-06 | | 公開日 | 2021-07-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI
Acta Crystallogr.,Sect.D, 77, 2021
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7JQN
 | | Crystal structure of the R64M mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Human Kallikrein 4 | | 分子名称: | CADMIUM ION, CHLORIDE ION, Kallikrein-4, ... | | 著者 | Li, M, Wlodawer, A, Gustchina, A. | | 登録日 | 2020-08-11 | | 公開日 | 2021-07-21 | | 最終更新日 | 2021-08-11 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI.
Acta Crystallogr D Struct Biol, 77, 2021
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7JR2
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7JR1
 | | Crystal structure of the R64F mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Bovine Trypsin | | 分子名称: | Cationic trypsin, Kunitz-type inihibitor, SODIUM ION, ... | | 著者 | Li, M, Wlodawer, A, Gustchina, A. | | 登録日 | 2020-08-11 | | 公開日 | 2021-07-21 | | 最終更新日 | 2021-08-11 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI.
Acta Crystallogr D Struct Biol, 77, 2021
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7JQK
 | | Crystal structure of the R64A mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Human Kallikrein 4 | | 分子名称: | CADMIUM ION, CHLORIDE ION, Kallikrein-4, ... | | 著者 | Li, M, Wlodawer, A, Gustchina, A. | | 登録日 | 2020-08-11 | | 公開日 | 2021-07-21 | | 最終更新日 | 2021-08-11 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI.
Acta Crystallogr D Struct Biol, 77, 2021
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7JQV
 | | Crystal structure of the R64F mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Human Kallikrein 4 | | 分子名称: | CHLORIDE ION, Kallikrein 4 (Prostase, enamel matrix, ... | | 著者 | Li, M, Wlodawer, A, Gustchina, A. | | 登録日 | 2020-08-11 | | 公開日 | 2021-07-21 | | 最終更新日 | 2021-08-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI.
Acta Crystallogr D Struct Biol, 77, 2021
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2VIN
 | | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | | 分子名称: | (2R)-1-(2,6-dimethylphenoxy)propan-2-amine, ACETATE ION, SULFATE ION, ... | | 著者 | Frederickson, M, Callaghan, O, Chessari, G, Congreve, M, Cowan, S.R, Matthews, J.E, McMenamin, R, Smith, D, Vinkovic, M, Wallis, N.G. | | 登録日 | 2007-12-05 | | 公開日 | 2008-01-22 | | 最終更新日 | 2017-07-05 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator
J.Med.Chem., 51, 2008
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6BYX
 | | Complex structure of LOR107 mutant (R259N) with tetrasaccharide substrate | | 分子名称: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-3-O-sulfo-alpha-L-rhamnopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-3-O-sulfo-alpha-L-rhamnopyranose, CALCIUM ION, GLYCEROL, ... | | 著者 | Ulaganathan, T, Cygler, M. | | 登録日 | 2017-12-21 | | 公開日 | 2018-02-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.208 Å) | | 主引用文献 | Structure-function analyses of a PL24 family ulvan lyase reveal key features and suggest its catalytic mechanism.
J. Biol. Chem., 293, 2018
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