7CRT
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![BU of 7crt by Molmil](/molmil-images/mine/7crt) | Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif 100 ps after light activation (0.17mJ/mm2) | 分子名称: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | 著者 | Yun, J.H, Liu, H, Lee, W.T, Schmidt, M. | 登録日 | 2020-08-14 | 公開日 | 2021-04-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser. Proc.Natl.Acad.Sci.USA, 118, 2021
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7CRS
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![BU of 7crs by Molmil](/molmil-images/mine/7crs) | Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif 100 ps after light activation (0.90mJ/mm2) | 分子名称: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | 著者 | Yun, J.H, Liu, H, Lee, W.T, Schmidt, M. | 登録日 | 2020-08-14 | 公開日 | 2021-04-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser. Proc.Natl.Acad.Sci.USA, 118, 2021
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7TYQ
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![BU of 7tyq by Molmil](/molmil-images/mine/7tyq) | TEAD2 bound to Compound 1 | 分子名称: | Transcriptional enhancer factor TEF-4, ethyl (8S)-7-oxo-5-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate | 著者 | Noland, C.L, Fong, R. | 登録日 | 2022-02-14 | 公開日 | 2023-05-03 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Novel mechanism of YAP-TEAD inhibition results in targeted chromatin remodeling and reveals an
expanded Hippo dependent landscape in cancers To Be Published
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7TYU
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![BU of 7tyu by Molmil](/molmil-images/mine/7tyu) | TEAD2 bound to Compound 2 | 分子名称: | (3R)-1-[(8S)-5-(4-cyclohexylphenyl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidine-3-carbonitrile, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Transcriptional enhancer factor TEF-4 | 著者 | Noland, C.L, Fong, R. | 登録日 | 2022-02-14 | 公開日 | 2023-05-03 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Novel mechanism of YAP-TEAD inhibition results in targeted chromatin remodeling and reveals an
expanded Hippo dependent landscape in cancers To Be Published
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7TYP
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![BU of 7typ by Molmil](/molmil-images/mine/7typ) | TEAD2 bound to GNE-7883 | 分子名称: | (8S)-5-(4-cyclohexylphenyl)-3-[3-(fluoromethyl)azetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Transcriptional enhancer factor TEF-4 | 著者 | Noland, C.L, Fong, R. | 登録日 | 2022-02-14 | 公開日 | 2023-05-03 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Novel mechanism of YAP-TEAD inhibition results in targeted chromatin remodeling and reveals an
expanded Hippo dependent landscape in cancers To Be Published
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4U81
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![BU of 4u81 by Molmil](/molmil-images/mine/4u81) | MEK1 Kinase bound to small molecule inhibitor G659 | 分子名称: | 8-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | 著者 | Robarge, K.D, Ultsch, M.H, Weismann, C. | 登録日 | 2014-07-31 | 公開日 | 2014-09-24 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.701 Å) | 主引用文献 | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479. Bioorg.Med.Chem.Lett., 24, 2014
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5DFP
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![BU of 5dfp by Molmil](/molmil-images/mine/5dfp) | Crystal structure of PAK1 in complex with an inhibitor compound FRAX1036 | 分子名称: | 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, DIMETHYL SULFOXIDE, Serine/threonine-protein kinase PAK 1 | 著者 | Maksimoska, J, Marmorstein, R, Wang, W. | 登録日 | 2015-08-27 | 公開日 | 2016-01-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety. Acs Med.Chem.Lett., 6, 2015
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5DEY
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![BU of 5dey by Molmil](/molmil-images/mine/5dey) | Crystal structure of PAK1 in complex with an inhibitor compound G-5555 | 分子名称: | 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1 | 著者 | Oh, A, Tam, C, Wang, W. | 登録日 | 2015-08-26 | 公開日 | 2016-01-27 | 最終更新日 | 2016-06-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety. Acs Med.Chem.Lett., 6, 2015
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4U7Z
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![BU of 4u7z by Molmil](/molmil-images/mine/4u7z) | Mitogen-Activated Protein Kinase Kinase (MEK1) bound to G805 | 分子名称: | 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | 著者 | Robarge, K.D, Ultsch, M.H, Wiesmann, C. | 登録日 | 2014-07-31 | 公開日 | 2014-09-24 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.805 Å) | 主引用文献 | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479. Bioorg.Med.Chem.Lett., 24, 2014
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4U80
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![BU of 4u80 by Molmil](/molmil-images/mine/4u80) | MEK 1 kinase bound to G799 | 分子名称: | 3-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | 著者 | Ultsch, M.H, Robarge, K.D, Weismann, C. | 登録日 | 2014-07-31 | 公開日 | 2014-09-24 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479. Bioorg.Med.Chem.Lett., 24, 2014
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6UYB
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![BU of 6uyb by Molmil](/molmil-images/mine/6uyb) | Crystal structure of TEAD2 bound to Compound 1 | 分子名称: | (3R,4R)-1-{3-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxy-5-methylphenyl}-3,4-dihydroxypyrrolidin-2-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | 著者 | Noland, C.L, Holden, J.K, Crawford, J.J, Zbieg, J.R, Cunningham, C.N. | 登録日 | 2019-11-12 | 公開日 | 2020-06-24 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.543 Å) | 主引用文献 | Small Molecule Dysregulation of TEAD Lipidation Induces a Dominant-Negative Inhibition of Hippo Pathway Signaling. Cell Rep, 31, 2020
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6UYC
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![BU of 6uyc by Molmil](/molmil-images/mine/6uyc) | Crystal structure of TEAD2 bound to Compound 2 | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-{5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxypyridin-3-yl}methanesulfonamide, Transcriptional enhancer factor TEF-4 | 著者 | Noland, C.L, Holden, J.K, Crawford, J.J, Zbieg, J.R, Cunningham, C.N. | 登録日 | 2019-11-12 | 公開日 | 2020-06-24 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.658 Å) | 主引用文献 | Small Molecule Dysregulation of TEAD Lipidation Induces a Dominant-Negative Inhibition of Hippo Pathway Signaling. Cell Rep, 31, 2020
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2PLN
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![BU of 2pln by Molmil](/molmil-images/mine/2pln) | |
2P3U
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![BU of 2p3u by Molmil](/molmil-images/mine/2p3u) | |
2P3T
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![BU of 2p3t by Molmil](/molmil-images/mine/2p3t) | |
6DTX
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![BU of 6dtx by Molmil](/molmil-images/mine/6dtx) | Wildtype HIV-1 Reverse Transcriptase in complex with JLJ 578 | 分子名称: | 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile, GLYCEROL, Reverse transcriptase/ribonuclease H, ... | 著者 | Sasaki, T, Gannam, Z.T.K, Anderson, K.S, Jorgensen, W.L, Lee, W. | 登録日 | 2018-06-18 | 公開日 | 2019-07-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.327 Å) | 主引用文献 | Molecular and cellular studies evaluating a potent 2-cyanoindolizine catechol diether NNRTI targeting wildtype and Y181C mutant HIV-1 reverse transcriptase. Bioorg.Med.Chem.Lett., 29, 2019
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6DTW
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![BU of 6dtw by Molmil](/molmil-images/mine/6dtw) | HIV-1 Reverse Transcriptase Y181C Mutant in complex with JLJ 578 | 分子名称: | 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... | 著者 | Sasaki, T, Gannam, Z.T.K, Anderson, K.S, Jorgensen, W.L, Lee, W. | 登録日 | 2018-06-18 | 公開日 | 2019-07-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.742 Å) | 主引用文献 | Molecular and cellular studies evaluating a potent 2-cyanoindolizine catechol diether NNRTI targeting wildtype and Y181C mutant HIV-1 reverse transcriptase. Bioorg.Med.Chem.Lett., 29, 2019
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5IME
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![BU of 5ime by Molmil](/molmil-images/mine/5ime) | Crystal structure of P21-activated kinase 1 (PAK1) in complex with compound 9 | 分子名称: | 8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1 | 著者 | Li, D, Wang, W. | 登録日 | 2016-03-06 | 公開日 | 2016-05-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.217 Å) | 主引用文献 | Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window. J.Med.Chem., 59, 2016
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6AK2
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![BU of 6ak2 by Molmil](/molmil-images/mine/6ak2) | Crystal structure of the syntenin PDZ1 domain in complex with the peptide inhibitor KSL-128018 | 分子名称: | Syntenin-1, peptide inhibitor KSL-128018 | 著者 | Jin, Z.Y, Park, J.H, Yun, J.H, Haugaard-Kedstrom, L.M, Lee, W.T. | 登録日 | 2018-08-29 | 公開日 | 2019-09-04 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.868 Å) | 主引用文献 | A High-Affinity Peptide Ligand Targeting Syntenin Inhibits Glioblastoma. J.Med.Chem., 64, 2021
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7WJ5
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![BU of 7wj5 by Molmil](/molmil-images/mine/7wj5) | Cryo-EM structure of human somatostatin receptor 2 complex with its agonist somatostatin delineates the ligand binding specificity | 分子名称: | Gai1 antibody (scfv16), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Heo, Y.S, Yoon, E.J, Jeon, Y.E, Yun, J.-H, Ishimoto, N, Woo, H, Park, S.Y, Song, J, Lee, W.T. | 登録日 | 2022-01-05 | 公開日 | 2022-07-13 | 実験手法 | ELECTRON MICROSCOPY (3.72 Å) | 主引用文献 | Cryo-EM structure of the human somatostatin receptor 2 complex with its agonist somatostatin delineates the ligand-binding specificity. Elife, 11, 2022
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1RCS
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![BU of 1rcs by Molmil](/molmil-images/mine/1rcs) | NMR STUDY OF TRP REPRESSOR-OPERATOR DNA COMPLEX | 分子名称: | DNA (5'-D(*CP*GP*TP*AP*CP*TP*AP*GP*TP*TP*AP*AP*CP*TP*AP*GP*TP*AP*CP*G)-3'), TRP REPRESSOR, TRYPTOPHAN | 著者 | Zhao, D, Zheng, Z. | 登録日 | 1995-05-12 | 公開日 | 1996-06-20 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | The solution structures of the trp repressor-operator DNA complex. J.Mol.Biol., 238, 1994
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1DMM
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![BU of 1dmm by Molmil](/molmil-images/mine/1dmm) | CRYSTAL STRUCTURES OF MUTANT ENZYMES Y57F OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA BIOTYPE B | 分子名称: | STEROID DELTA-ISOMERASE | 著者 | Kim, D.H, Jang, D.S, Nam, G.H, Oh, B.H, Choi, K.Y. | 登録日 | 1999-12-14 | 公開日 | 2000-05-23 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Contribution of the hydrogen-bond network involving a tyrosine triad in the active site to the structure and function of a highly proficient ketosteroid isomerase from Pseudomonas putida biotype B. Biochemistry, 39, 2000
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1DMN
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![BU of 1dmn by Molmil](/molmil-images/mine/1dmn) | CRYSTAL STRUCTURE OF MUTANT ENZYME Y32F/Y57F OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA BIOTYPE B | 分子名称: | STEROID DELTA-ISOMERASE | 著者 | Kim, D.H, Jang, D.S, Nam, G.H, Oh, B.H, Choi, K.Y. | 登録日 | 1999-12-14 | 公開日 | 2000-05-23 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Contribution of the hydrogen-bond network involving a tyrosine triad in the active site to the structure and function of a highly proficient ketosteroid isomerase from Pseudomonas putida biotype B. Biochemistry, 39, 2000
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2XHS
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![BU of 2xhs by Molmil](/molmil-images/mine/2xhs) | |
1DMQ
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![BU of 1dmq by Molmil](/molmil-images/mine/1dmq) | CRYSTAL STRUCTURE OF MUTANT ENZYME Y32F OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA BIOTYPE B | 分子名称: | STEROID DELTA-ISOMERASE | 著者 | Kim, D.H, Jang, D.S, Nam, G.H, Oh, B.H, Choi, K.Y. | 登録日 | 1999-12-14 | 公開日 | 2000-05-23 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Contribution of the hydrogen-bond network involving a tyrosine triad in the active site to the structure and function of a highly proficient ketosteroid isomerase from Pseudomonas putida biotype B. Biochemistry, 39, 2000
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