4QQT
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4QRC
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5Y2T
| Structure of PPARgamma ligand binding domain - lobeglitazone complex | 分子名称: | (5S)-5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma | 著者 | Im, Y.J, Lee, M. | 登録日 | 2017-07-27 | 公開日 | 2017-12-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structures of PPAR gamma complexed with lobeglitazone and pioglitazone reveal key determinants for the recognition of antidiabetic drugs Sci Rep, 7, 2017
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5Y2O
| Structure of PPARgamma ligand binding domain-pioglitazone complex | 分子名称: | (5S)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma | 著者 | Im, Y.J, Lee, M. | 登録日 | 2017-07-26 | 公開日 | 2017-12-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | 主引用文献 | Structures of PPAR gamma complexed with lobeglitazone and pioglitazone reveal key determinants for the recognition of antidiabetic drugs Sci Rep, 7, 2017
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6ATE
| SRC kinase bound to covalent inhibitor | 分子名称: | N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide, Proto-oncogene tyrosine-protein kinase Src | 著者 | Gurbani, D, Westover, K.D. | 登録日 | 2017-08-28 | 公開日 | 2019-02-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.402 Å) | 主引用文献 | Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome. Cell Chem Biol, 26, 2019
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6BEA
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6DAU
| Crystal structure of E33Q and E41Q mutant forms of the spermidine/spermine N-acetyltransferase SpeG from Vibrio cholerae | 分子名称: | GLYCEROL, Spermidine N1-acetyltransferase | 著者 | Filippova, E.V, Minasov, G, Beahan, A, Kulyavtsev, P, Tan, L, Tran, D, Kuhn, M.L, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2018-05-02 | 公開日 | 2018-07-04 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Crystal structure of E33Q and E41Q mutant forms of the spermidine/spermine N-acetyltransferase SpeG from Vibrio cholerae. To be Published
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7E35
| Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant bound to compound S43 | 分子名称: | N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Non-structural protein 3, ZINC ION | 著者 | Liu, J, Wang, Y, Xu, X, Pan, L. | 登録日 | 2021-02-08 | 公開日 | 2021-03-17 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2. Cell Chem Biol, 28, 2021
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7D6H
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6LYI
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6LYH
| Crystal structure of tea N9-methyltransferase CkTcS in complex with SAH and 1,3,7-trimethyluric acid | 分子名称: | 1,3,7-trimethyl-9H-purine-2,6,8-trione, N-methyltransferase CkTcS, S-ADENOSYL-L-HOMOCYSTEINE | 著者 | Wang, Y, Zhang, Z.-M. | 登録日 | 2020-02-14 | 公開日 | 2020-03-04 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.15000319 Å) | 主引用文献 | Identification and characterization of N9-methyltransferase involved in converting caffeine into non-stimulatory theacrine in tea. Nat Commun, 11, 2020
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7POM
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1EEA
| Acetylcholinesterase | 分子名称: | PROTEIN (ACETYLCHOLINESTERASE) | 著者 | Raves, M.L, Giles, K, Schrag, J.D, Schmid, M.F, Phillips Jr, G.N, Wah, C, Howard, A.J, Silman, I, Sussman, J.L. | 登録日 | 1999-01-26 | 公開日 | 1999-02-01 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (4.5 Å) | 主引用文献 | Quaternary Structure of Tetrameric Acetylcholinesterase Structure and Function of Cholinesterases and Related Proteins, 1998
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7PP9
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7E4Z
| Crystal structure of tubulin in complex with Maytansinol | 分子名称: | (1R,2S,3S,5S,6S,16E,18E,20R,21S)-11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Wang, Y, Li, W. | 登録日 | 2021-02-16 | 公開日 | 2021-07-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids. Biochem.Biophys.Res.Commun., 566, 2021
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7E4Q
| Crystal structure of tubulin in complex with L-DM1-SMe | 分子名称: | (1S,2R,3R,5R,6R,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Wang, Y, Li, W. | 登録日 | 2021-02-14 | 公開日 | 2021-07-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | 主引用文献 | C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids. Biochem.Biophys.Res.Commun., 566, 2021
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7E4R
| Crystal structure of tubulin in complex with D-DM1-SMe | 分子名称: | (10E,12E)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-methyl-N-(3-(methylsulfinothioyl)propanoyl)-D-alaninate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Wang, Y, Li, W. | 登録日 | 2021-02-15 | 公開日 | 2021-07-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.597 Å) | 主引用文献 | C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids. Biochem.Biophys.Res.Commun., 566, 2021
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8CZO
| Cryo-EM structure of BCL10 CARD - MALT1 DD filament | 分子名称: | B-cell lymphoma/leukemia 10, Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | 著者 | David, L, Wu, H. | 登録日 | 2022-05-25 | 公開日 | 2022-06-22 | 最終更新日 | 2022-08-17 | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | 主引用文献 | BCL10 Mutations Define Distinct Dependencies Guiding Precision Therapy for DLBCL. Cancer Discov, 12, 2022
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8CZD
| Cryo-EM structure of BCL10 R58Q filament | 分子名称: | B-cell lymphoma/leukemia 10 | 著者 | David, L, Wu, H. | 登録日 | 2022-05-24 | 公開日 | 2022-06-22 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (4.6 Å) | 主引用文献 | BCL10 Mutations Define Distinct Dependencies Guiding Precision Therapy for DLBCL. Cancer Discov, 12, 2022
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7EN3
| Crystal structure of tubulin in complex with Tubulysin analogue TGL | 分子名称: | (2S,4R)-5-(4-fluorophenyl)-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[5-methylhexyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-1-oxidanyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Wang, Y, Li, W. | 登録日 | 2021-04-15 | 公開日 | 2022-04-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.643 Å) | 主引用文献 | The X-ray structure of tubulysin analogue TGL in complex with tubulin and three possible routes for the development of next-generation tubulysin analogues. Biochem.Biophys.Res.Commun., 565, 2021
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7Q0D
| Human carbonic anhydrase I in complex with Methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Carbonic anhydrase 1, ... | 著者 | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2021-10-14 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci, 23, 2021
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7PUU
| Crystal structure of carbonic anhydrase XII with methyl 4-chloro-2-cyclohexylsulfanyl-5-sulfamoylbenzoate | 分子名称: | 1,2-ETHANEDIOL, Carbonic anhydrase 12, ZINC ION, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2021-09-30 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci, 23, 2021
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7Q0E
| Human Carbonic Anhydrase II in complex with Methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate | 分子名称: | BICINE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2021-10-14 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci, 23, 2021
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7PUW
| Crystal structure of carbonic anhydrase XII with methyl 2-chloro-4-[(2-phenylethyl)sulfanyl]-5-sulfamoylbenzoate | 分子名称: | 1,2-ETHANEDIOL, Carbonic anhydrase 12, ZINC ION, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2021-09-30 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci, 23, 2021
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7PUV
| Crystal structure of carbonic anhydrase XII with methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate | 分子名称: | 1,2-ETHANEDIOL, Carbonic anhydrase 12, DI(HYDROXYETHYL)ETHER, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2021-09-30 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci, 23, 2021
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