3B66
| Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-21 | 分子名称: | 4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile, Androgen receptor | 著者 | Bohl, C.E, Miller, D.D, Dalton, J.T. | 登録日 | 2007-10-27 | 公開日 | 2008-09-09 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators Bioorg.Med.Chem.Lett., 18, 2008
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3B67
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3B65
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3B68
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7FCQ
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7FCP
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6X1E
| Tubulin-RB3_SLD-TTL in complex with compound 5l | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | 著者 | White, S.W, Yun, M. | 登録日 | 2020-05-18 | 公開日 | 2021-09-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor. J.Med.Chem., 64, 2021
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6X1C
| Tubulin-RB3_SLD-TTL in complex with compound 5j | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | 著者 | White, S.W, Yun, M. | 登録日 | 2020-05-18 | 公開日 | 2021-09-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor. J.Med.Chem., 64, 2021
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6X1F
| Tubulin-RB3_SLD-TTL in complex with compound 5m | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-methoxy-4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | 著者 | White, S.W, Yun, M. | 登録日 | 2020-05-18 | 公開日 | 2021-09-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor. J.Med.Chem., 64, 2021
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6Y7V
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6L7O
| cryo-EM structure of cyanobacteria Fd-NDH-1L complex | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, BETA-CAROTENE, ... | 著者 | Zhang, C, Shuai, J, Wu, J, Lei, M. | 登録日 | 2019-11-02 | 公開日 | 2020-02-19 | 最終更新日 | 2021-09-22 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Structural insights into NDH-1 mediated cyclic electron transfer. Nat Commun, 11, 2020
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6L7P
| cryo-EM structure of cyanobacteria NDH-1LdelV complex | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, BETA-CAROTENE, ... | 著者 | Zhang, C, Shuai, J, Wu, J, Lei, M. | 登録日 | 2019-11-02 | 公開日 | 2020-02-19 | 最終更新日 | 2021-09-22 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Structural insights into NDH-1 mediated cyclic electron transfer. Nat Commun, 11, 2020
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5KYJ
| Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core | 分子名称: | (6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole, Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta | 著者 | Chen, G, McKeever, B.M. | 登録日 | 2016-07-21 | 公開日 | 2016-09-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core. Bioorg.Med.Chem.Lett., 26, 2016
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5KYA
| Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core | 分子名称: | Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta, [2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol | 著者 | Chen, G, McKeever, B.M. | 登録日 | 2016-07-21 | 公開日 | 2016-09-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.598 Å) | 主引用文献 | Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core. Bioorg.Med.Chem.Lett., 26, 2016
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5LBW
| Structure of the human quinone reductase 2 (NQO2) in complex with volitinib | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ZINC ION, ... | 著者 | Schneider, S, Medard, G, Kuester, B. | 登録日 | 2016-06-17 | 公開日 | 2017-11-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The target landscape of clinical kinase drugs. Science, 358, 2017
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5LBY
| Structure of the human quinone reductase 2 (NQO2) in complex with crenolanib | 分子名称: | 1-(2-{5-[(3-Methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | 著者 | Schneider, S, Medard, G, Kuester, B. | 登録日 | 2016-06-17 | 公開日 | 2017-11-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | The target landscape of clinical kinase drugs. Science, 358, 2017
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5LBZ
| Structure of the human quinone reductase 2 (NQO2) in complex with pacritinib | 分子名称: | 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | 著者 | Schneider, S, Medard, G, Kuster, B. | 登録日 | 2016-06-17 | 公開日 | 2017-11-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | The target landscape of clinical kinase drugs. Science, 358, 2017
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5M5A
| Crystal structure of MELK in complex with an inhibitor | 分子名称: | CHLORIDE ION, K-252A, Maternal embryonic leucine zipper kinase, ... | 著者 | Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S. | 登録日 | 2016-10-21 | 公開日 | 2017-12-06 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The target landscape of clinical kinase drugs. Science, 358, 2017
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5MAH
| Crystal structure of MELK in complex with an inhibitor | 分子名称: | CHLORIDE ION, GLYCEROL, Maternal embryonic leucine zipper kinase, ... | 著者 | Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S. | 登録日 | 2016-11-03 | 公開日 | 2017-12-06 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The target landscape of clinical kinase drugs. Science, 358, 2017
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5MAF
| Crystal structure of MELK in complex with an inhibitor | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, Maternal embryonic leucine zipper kinase, ... | 著者 | Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S. | 登録日 | 2016-11-03 | 公開日 | 2017-12-06 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The target landscape of clinical kinase drugs. Science, 358, 2017
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5MAI
| Crystal structure of MELK in complex with an inhibitor | 分子名称: | 3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide, DIMETHYL SULFOXIDE, Maternal embryonic leucine zipper kinase | 著者 | Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S. | 登録日 | 2016-11-03 | 公開日 | 2017-12-06 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | The target landscape of clinical kinase drugs. Science, 358, 2017
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6JK8
| Cryo-EM structure of the full-length human IGF-1R in complex with insulin | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin, ... | 著者 | Zhang, X, Yu, D, Wang, T. | 登録日 | 2019-02-27 | 公開日 | 2020-03-04 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | 主引用文献 | Visualization of Ligand-Bound Ectodomain Assembly in the Full-Length Human IGF-1 Receptor by Cryo-EM Single-Particle Analysis. Structure, 28, 2020
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5MAG
| Crystal structure of MELK in complex with an inhibitor | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, Maternal embryonic leucine zipper kinase, ... | 著者 | Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S. | 登録日 | 2016-11-03 | 公開日 | 2017-12-06 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | The target landscape of clinical kinase drugs. Science, 358, 2017
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6CEV
| MBD3 MBD in complex with methylated, non-palindromic CpG DNA: alternative interpretation of crystallographic data | 分子名称: | DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*CP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*GP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 3, ... | 著者 | Liu, K, Tempel, W, Wernimont, A.K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2018-02-12 | 公開日 | 2018-05-09 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.005 Å) | 主引用文献 | Structural analyses reveal that MBD3 is a methylated CG binder. Febs J., 286, 2019
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6CEU
| MBD3 MBD in complex with methylated, non-palindromic CpG DNA: alternative interpretation of crystallographic data | 分子名称: | DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*CP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*GP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 3, ... | 著者 | Liu, K, Tempel, W, Wernimont, A.K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2018-02-12 | 公開日 | 2018-05-09 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.005 Å) | 主引用文献 | Structural analyses reveal that MBD3 is a methylated CG binder. Febs J., 286, 2019
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