7QKN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qkn by Molmil](/molmil-images/mine/7qkn) | Crystal structure of YTHDF1 YTH domain in complex with the ebsulfur derivative compound 7 | 分子名称: | 1,2-ETHANEDIOL, THIOCYANATE ION, YTH domain-containing family protein 1, ... | 著者 | Dalle Vedove, A, Cazzanelli, G, Quattrone, A, Provenzani, A, Lolli, G. | 登録日 | 2021-12-18 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Small-Molecule Ebselen Binds to YTHDF Proteins Interfering with the Recognition of N 6 -Methyladenosine-Modified RNAs. Acs Pharmacol Transl Sci, 5, 2022
|
|
7QL7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ql7 by Molmil](/molmil-images/mine/7ql7) | Crystal structure of YTHDF1 YTH domain in complex with the ebsulfur derivative compound 9 | 分子名称: | 1,2-ETHANEDIOL, THIOCYANATE ION, YTH domain-containing family protein 1, ... | 著者 | Dalle Vedove, A, Cazzanelli, G, Quattrone, A, Provenzani, A, Lolli, G. | 登録日 | 2021-12-19 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Small-Molecule Ebselen Binds to YTHDF Proteins Interfering with the Recognition of N 6 -Methyladenosine-Modified RNAs. Acs Pharmacol Transl Sci, 5, 2022
|
|
8P29
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p29 by Molmil](/molmil-images/mine/8p29) | TEAD2 in complex with an inhibitor | 分子名称: | 5-methyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid, GLYCEROL, MYRISTIC ACID, ... | 著者 | Guichou, J.F, Gelin, M, Allemand, F. | 登録日 | 2023-05-15 | 公開日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings. Bioorg.Med.Chem.Lett., 95, 2023
|
|
8G4A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g4a by Molmil](/molmil-images/mine/8g4a) | |
8K8T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8k8t by Molmil](/molmil-images/mine/8k8t) | Structure of CUL3-RBX1-KLHL22 complex | 分子名称: | Cullin-3, Kelch-like protein 22 | 著者 | Wang, W, Ling, L, Dai, Z, Zuo, P, Yin, Y. | 登録日 | 2023-07-31 | 公開日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | A conserved N-terminal motif of CUL3 contributes to assembly and E3 ligase activity of CRL3 KLHL22. Nat Commun, 15, 2024
|
|
8K9I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8k9i by Molmil](/molmil-images/mine/8k9i) | Structure of CUL3-RBX1-KLHL22 complex without CUL3 NA motif | 分子名称: | Cullin-3, E3 ubiquitin-protein ligase RBX1, N-terminally processed, ... | 著者 | Wang, W, Ling, L, Dai, Z, Zuo, P, Yin, Y. | 登録日 | 2023-08-01 | 公開日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | A conserved N-terminal motif of CUL3 contributes to assembly and E3 ligase activity of CRL3 KLHL22. Nat Commun, 15, 2024
|
|
8P9Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p9y by Molmil](/molmil-images/mine/8p9y) | SARS-CoV-2 S protein S:D614G mutant in 3-down with binding site of an entry inhibitor | 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, SODIUM ION, ... | 著者 | Adhav, A, Forcada-Nadal, A, Marco-Marin, C, Lopez-Redondo, M.L, Llacer, J.L. | 登録日 | 2023-06-06 | 公開日 | 2023-09-27 | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | 主引用文献 | C-2 Thiophenyl Tryptophan Trimers Inhibit Cellular Entry of SARS-CoV-2 through Interaction with the Viral Spike (S) Protein. J.Med.Chem., 66, 2023
|
|
8P99
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p99 by Molmil](/molmil-images/mine/8p99) | SARS-CoV-2 S-protein:D614G mutant in 1-up conformation | 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, Spike protein S1,Spike glycoprotein | 著者 | Adhav, A, Forcada-Nadal, A, Marco-Marin, C, Lopez-Redondo, M.L, Llacer, J.L. | 登録日 | 2023-06-05 | 公開日 | 2023-09-27 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | C-2 Thiophenyl Tryptophan Trimers Inhibit Cellular Entry of SARS-CoV-2 through Interaction with the Viral Spike (S) Protein. J.Med.Chem., 66, 2023
|
|
8POJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8poj by Molmil](/molmil-images/mine/8poj) | TEAD2 in complex with an inhibitor | 分子名称: | 4-fluoranyl-2-[(3-phenylphenyl)amino]benzoic acid, MYRISTIC ACID, Transcriptional enhancer factor TEF-4 | 著者 | Guichou, J.F. | 登録日 | 2023-07-05 | 公開日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings. Bioorg.Med.Chem.Lett., 95, 2023
|
|
8PON
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pon by Molmil](/molmil-images/mine/8pon) | TEAD2 in complex with an inhibitor | 分子名称: | 4-fluoranyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid, MYRISTIC ACID, Transcriptional enhancer factor TEF-4 | 著者 | Guichou, J.F. | 登録日 | 2023-07-05 | 公開日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings. Bioorg.Med.Chem.Lett., 95, 2023
|
|
8POM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pom by Molmil](/molmil-images/mine/8pom) | TEAD2 in complex with an inhibitor | 分子名称: | 2-[[3-(2-phenylethoxy)phenyl]amino]pyridine-3-carboxylic acid, GLYCEROL, Transcriptional enhancer factor TEF-4 | 著者 | Guichou, J.F. | 登録日 | 2023-07-05 | 公開日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings. Bioorg.Med.Chem.Lett., 95, 2023
|
|
8BXA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bxa by Molmil](/molmil-images/mine/8bxa) | Crystal structure of ribosome binding factor A (RbfA) from S. aureus | 分子名称: | Ribosome-binding factor A | 著者 | Fatkhullin, B, Bikmullin, A, Gabdulkhakov, A, Khusainov, I, Validov, S, Usachev, K, Yusupov, M. | 登録日 | 2022-12-08 | 公開日 | 2023-02-22 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Yet Another Similarity between Mitochondrial and Bacterial Ribosomal Small Subunit Biogenesis Obtained by Structural Characterization of RbfA from S. aureus. Int J Mol Sci, 24, 2023
|
|
1UNL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1unl by Molmil](/molmil-images/mine/1unl) | Structural mechanism for the inhibition of CD5-p25 from the roscovitine, aloisine and indirubin. | 分子名称: | CYCLIN-DEPENDENT KINASE 5, CYCLIN-DEPENDENT KINASE 5 ACTIVATOR 1, R-ROSCOVITINE | 著者 | Mapelli, M, Crovace, C, Massimiliano, L, Musacchio, A. | 登録日 | 2003-09-10 | 公開日 | 2004-11-10 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Mechanism of Cdk5/P25 Binding by Cdk Inhibitors J.Med.Chem., 48, 2005
|
|
1UNG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ung by Molmil](/molmil-images/mine/1ung) | Structural mechanism for the inhibition of CDK5-p25 by roscovitine, aloisine and indirubin. | 分子名称: | 6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE, CELL DIVISION PROTEIN KINASE 5, CYCLIN-DEPENDENT KINASE 5 ACTIVATOR 1 | 著者 | Mapelli, M, Crovace, C, Massimiliano, L, Musacchio, A. | 登録日 | 2003-09-10 | 公開日 | 2004-11-10 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Mechanism of Cdk5/P25 Binding by Cdk Inhibitors J.Med.Chem., 48, 2005
|
|
1UNH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1unh by Molmil](/molmil-images/mine/1unh) | Structural mechanism for the inhibition of CDK5-p25 by roscovitine, aloisine and indirubin. | 分子名称: | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME, CYCLIN-DEPENDENT KINASE 5, CYCLIN-DEPENDENT KINASE 5 ACTIVATOR 1 | 著者 | Mapelli, M, Crovace, C, Massimiliano, L, Musacchio, A. | 登録日 | 2003-09-10 | 公開日 | 2004-11-10 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Mechanism of Cdk5/P25 Binding by Cdk Inhibitors J.Med.Chem., 48, 2005
|
|
371D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 371d by Molmil](/molmil-images/mine/371d) | STRUCTURAL VARIABILITY OF A-DNA IN CRYSTALS OF THE OCTAMER D(PCPCPCPGPCPGPGPG) | 分子名称: | DNA (5'-D(P*CP*CP*CP*GP*CP*GP*GP*G)-3') | 著者 | Fernandez, L.G, Subirana, J.A, Verdaguer, N, Pyshnyi, D, Campos, L. | 登録日 | 1997-12-19 | 公開日 | 1998-07-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural variability of A-DNA in crystals of the octamer d(pCpCpCpGpCpGpGpG) J.Biomol.Struct.Dyn., 15, 1997
|
|
370D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 370d by Molmil](/molmil-images/mine/370d) | STRUCTURAL VARIABILITY OF A-DNA IN CRYSTALS OF THE OCTAMER D(PCPCPCPGPCPGPGPG) | 分子名称: | DNA (5'-D(P*CP*CP*CP*GP*CP*GP*GP*G)-3'), MAGNESIUM ION | 著者 | Fernandez, L.G, Subirana, J.A, Verdaguer, N, Pyshnyi, D, Campos, L. | 登録日 | 1997-12-19 | 公開日 | 1998-07-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Structural variability of A-DNA in crystals of the octamer d(pCpCpCpGpCpGpGpG) J.Biomol.Struct.Dyn., 15, 1997
|
|
369D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 369d by Molmil](/molmil-images/mine/369d) | STRUCTURAL VARIABILITY OF A-DNA IN CRYSTALS OF THE OCTAMER D(PCPCPCPGPCPGPGPG) | 分子名称: | DNA (5'-D(P*CP*CP*CP*GP*CP*GP*GP*G)-3') | 著者 | Fernandez, L.G, Subirana, J.A, Verdaguer, N, Pyshnyi, D, Campos, L. | 登録日 | 1997-12-19 | 公開日 | 1998-07-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural variability of A-DNA in crystals of the octamer d(pCpCpCpGpCpGpGpG) J.Biomol.Struct.Dyn., 15, 1997
|
|
6SD9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sd9 by Molmil](/molmil-images/mine/6sd9) | Crystal structure of wild-type cMET bound by foretinib | 分子名称: | CHLORIDE ION, Hepatocyte growth factor receptor, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | 著者 | Collie, G.W, Phillips, C. | 登録日 | 2019-07-26 | 公開日 | 2019-08-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors. Acs Med.Chem.Lett., 10, 2019
|
|
6SDC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sdc by Molmil](/molmil-images/mine/6sdc) | Crystal structure of D1228V cMET bound by foretinib | 分子名称: | Hepatocyte growth factor receptor, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | 著者 | Collie, G.W, Phillips, C. | 登録日 | 2019-07-26 | 公開日 | 2019-08-14 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors. Acs Med.Chem.Lett., 10, 2019
|
|
6SDD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sdd by Molmil](/molmil-images/mine/6sdd) | Crystal structure of D1228V cMET bound by BMS-777607 | 分子名称: | GLYCEROL, Hepatocyte growth factor receptor, N-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide | 著者 | Collie, G.W, Phillips, C. | 登録日 | 2019-07-26 | 公開日 | 2019-08-14 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors. Acs Med.Chem.Lett., 10, 2019
|
|
6SDE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sde by Molmil](/molmil-images/mine/6sde) | |
6USY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6usy by Molmil](/molmil-images/mine/6usy) | COAGULATION FACTOR XI CATALYTIC DOMAIN (C123S) IN COMPLEX WITH NVP-XIV936 | 分子名称: | 1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid, Coagulation factor XIa light chain | 著者 | Weihofen, W.A, Clark, K, Nunes, S. | 登録日 | 2019-10-28 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
|
|
8B5G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8b5g by Molmil](/molmil-images/mine/8b5g) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 7,8-dimethoxy-3-methyl-1,3-dihydro-2H-benzo[d]azepin-2-one | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7,8-dimethoxy-3-methyl-1~{H}-3-benzazepin-2-one, ... | 著者 | Chung, C. | 登録日 | 2022-09-22 | 公開日 | 2022-11-30 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.619 Å) | 主引用文献 | Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432. J.Med.Chem., 65, 2022
|
|
8B5H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8b5h by Molmil](/molmil-images/mine/8b5h) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (R)-7-((R)-1,2-dihydroxyethyl)-1,3-dimethyl-5-(1-methyl-1H-pyrazol-4-yl)-1,3-dihydro-2H-benzo[d]azepin-2-one | 分子名称: | (1~{R})-7-[(1~{R})-1,2-bis(oxidanyl)ethyl]-1,3-dimethyl-5-(1-methylpyrazol-4-yl)-1~{H}-3-benzazepin-2-one, 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, ... | 著者 | Chung, C. | 登録日 | 2022-09-22 | 公開日 | 2022-11-30 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.603 Å) | 主引用文献 | Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432. J.Med.Chem., 65, 2022
|
|