2E0H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2e0h by Molmil](/molmil-images/mine/2e0h) | |
7BST
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bst by Molmil](/molmil-images/mine/7bst) | EcoR124I-Ocr in the Intermediate State | 分子名称: | Overcome classical restriction gp0.3, Type I restriction enzyme EcoR124II M protein, Type I restriction enzyme R Protein, ... | 著者 | Gao, Y, Gao, P. | 登録日 | 2020-03-31 | 公開日 | 2020-05-27 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (4.37 Å) | 主引用文献 | Structural insights into assembly, operation and inhibition of a type I restriction-modification system. Nat Microbiol, 5, 2020
|
|
7BTR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7btr by Molmil](/molmil-images/mine/7btr) | EcoR124I-ArdA in the Restriction-Alleviation State | 分子名称: | Antirestriction protein ArdA, Type I restriction enzyme EcoR124II M protein, Type I restriction enzyme R Protein, ... | 著者 | Gao, Y, Gao, P. | 登録日 | 2020-04-02 | 公開日 | 2020-05-27 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (4.54 Å) | 主引用文献 | Structural insights into assembly, operation and inhibition of a type I restriction-modification system. Nat Microbiol, 5, 2020
|
|
7BTO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bto by Molmil](/molmil-images/mine/7bto) | EcoR124I-ArdA in the Translocation State | 分子名称: | Antirestriction protein ArdA, Type I restriction enzyme EcoR124II M protein, Type I restriction enzyme R Protein, ... | 著者 | Gao, Y, Gao, P. | 登録日 | 2020-04-02 | 公開日 | 2020-05-27 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.97 Å) | 主引用文献 | Structural insights into assembly, operation and inhibition of a type I restriction-modification system. Nat Microbiol, 5, 2020
|
|
7BTQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7btq by Molmil](/molmil-images/mine/7btq) | EcoR124I-DNA in the Restriction-Alleviation State | 分子名称: | DNA (64-MER), Type I restriction enzyme EcoR124II M protein, Type I restriction enzyme R Protein, ... | 著者 | Gao, Y, Gao, P. | 登録日 | 2020-04-02 | 公開日 | 2020-05-27 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (4.54 Å) | 主引用文献 | Structural insights into assembly, operation and inhibition of a type I restriction-modification system. Nat Microbiol, 5, 2020
|
|
7BTP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7btp by Molmil](/molmil-images/mine/7btp) | EcoR124I-Ocr in Restriction-Alleviation State | 分子名称: | Overcome classical restriction gp0.3, Type I restriction enzyme EcoR124II M protein, Type I restriction enzyme R Protein, ... | 著者 | Gao, Y, Gao, P. | 登録日 | 2020-04-02 | 公開日 | 2020-05-27 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (4.01 Å) | 主引用文献 | Structural insights into assembly, operation and inhibition of a type I restriction-modification system. Nat Microbiol, 5, 2020
|
|
4C51
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4c51 by Molmil](/molmil-images/mine/4c51) | Crystal Structure of the Catalase-Peroxidase (KatG) R418L mutant from Mycobacterium Tuberculosis | 分子名称: | CATALASE-PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, alpha-D-glucopyranose | 著者 | Hersleth, H.-P, Zhao, X, Magliozzo, R.S, Andersson, K.K. | 登録日 | 2013-09-10 | 公開日 | 2013-11-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Access Channel Residues Ser315 and Asp137 in Mycobacterium Tuberculosis Catalase-Peroxidase (Katg) Control Peroxidatic Activation of the Pro-Drug Isoniazid. Chem.Commun.(Camb.), 49, 2013
|
|
4C50
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4c50 by Molmil](/molmil-images/mine/4c50) | Crystal Structure of the Catalase-Peroxidase (KatG) D137S mutant from Mycobacterium Tuberculosis | 分子名称: | ACETATE ION, CATALASE-PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Hersleth, H.-P, Zhao, X, Magliozzo, R.S, Andersson, K.K. | 登録日 | 2013-09-10 | 公開日 | 2013-11-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Access Channel Residues Ser315 and Asp137 in Mycobacterium Tuberculosis Catalase-Peroxidase (Katg) Control Peroxidatic Activation of the Pro-Drug Isoniazid. Chem.Commun.(Camb.), 49, 2013
|
|
2FYZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fyz by Molmil](/molmil-images/mine/2fyz) | |
8D7Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d7y by Molmil](/molmil-images/mine/8d7y) | |
8D7X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d7x by Molmil](/molmil-images/mine/8d7x) | |
4OAS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4oas by Molmil](/molmil-images/mine/4oas) | co-crystal structure of MDM2 (17-111) in complex with compound 25 | 分子名称: | E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid | 著者 | Huang, X. | 登録日 | 2014-01-06 | 公開日 | 2014-02-19 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of AMG 232, a Potent, Selective, and Orally Bioavailable MDM2-p53 Inhibitor in Clinical Development. J.Med.Chem., 57, 2014
|
|
8GN6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gn6 by Molmil](/molmil-images/mine/8gn6) | |
5E73
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5e73 by Molmil](/molmil-images/mine/5e73) | Crystal Structure of BAZ2B bromodomain in complex with acetylindole compound UZH47 | 分子名称: | Bromodomain adjacent to zinc finger domain protein 2B, N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide | 著者 | Lolli, G, Spiliotopoulos, D, Unzue, A, Nevado, C, Caflisch, A. | 登録日 | 2015-10-11 | 公開日 | 2015-10-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains. J. Med. Chem., 59, 2016
|
|
5BPP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bpp by Molmil](/molmil-images/mine/5bpp) | Structure of human Leukotriene A4 hydrolase in complex with inhibitor 4AZ | 分子名称: | 2-(4-butoxyphenyl)-N-hydroxyacetamide, ACETATE ION, Leukotriene A-4 hydrolase, ... | 著者 | Huang, J, Dong, N.N, Xiao, Q, Ou, P.Y, Wu, D, Lu, W.Q. | 登録日 | 2015-05-28 | 公開日 | 2016-08-10 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Bufexamac ameliorates LPS-induced acute lung injury in mice by targeting LTA4H Sci Rep, 6, 2016
|
|
5E74
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5e74 by Molmil](/molmil-images/mine/5e74) | Crystal Structure of BAZ2B bromodomain in complex with acetylindole compound UZH50 | 分子名称: | Bromodomain adjacent to zinc finger domain protein 2B, N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)-3-(trifluoromethyl)benzamide | 著者 | Lolli, G, Spiliotopoulos, D, Dolbois, A, Nevado, C, Caflisch, A. | 登録日 | 2015-10-11 | 公開日 | 2015-10-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.783 Å) | 主引用文献 | The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains. J. Med. Chem., 59, 2016
|
|
7RGW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rgw by Molmil](/molmil-images/mine/7rgw) | |
4NWK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nwk by Molmil](/molmil-images/mine/4nwk) | Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-n-((1r,2s)-1-((cyclopropylsulfonyl)carba moyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)ox y)-l-prolinamide | 分子名称: | GLYCEROL, HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide, ... | 著者 | Muckelbauer, J.K, Klei, H.E. | 登録日 | 2013-12-06 | 公開日 | 2014-03-26 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection. J.Med.Chem., 57, 2014
|
|
4NWL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nwl by Molmil](/molmil-images/mine/4nwl) | Crystal structure of hepatis c virus protease (ns3) complexed with bms-650032 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-4-((7-chloro-4-methoxy-1-isoquinolinyl)o xy)-n-((1r,2s)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylc yclopropyl)-l-prolinamide | 分子名称: | HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, ZINC ION | 著者 | Muckelbauer, J.K, Klei, H.E. | 登録日 | 2013-12-06 | 公開日 | 2014-03-26 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection. J.Med.Chem., 57, 2014
|
|
7RTC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rtc by Molmil](/molmil-images/mine/7rtc) | |
8FP3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fp3 by Molmil](/molmil-images/mine/8fp3) | PKCeta kinase domain in complex with compound 11 | 分子名称: | (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Protein kinase C eta type | 著者 | Johnson, E. | 登録日 | 2023-01-03 | 公開日 | 2023-04-05 | 最終更新日 | 2023-04-26 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1. J.Med.Chem., 66, 2023
|
|
8FH4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fh4 by Molmil](/molmil-images/mine/8fh4) | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undec-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile | 分子名称: | (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION | 著者 | McTigue, M, Johnson, E, Cronin, C. | 登録日 | 2022-12-13 | 公開日 | 2023-04-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.827 Å) | 主引用文献 | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1. J.Med.Chem., 66, 2023
|
|
8FKO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fko by Molmil](/molmil-images/mine/8fko) | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(2S,5R)-5-Amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile | 分子名称: | (3P)-3-{4-[(2S,5R)-5-amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1 | 著者 | McTigue, M, Johnson, E, Cronin, C. | 登録日 | 2022-12-21 | 公開日 | 2023-04-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.104 Å) | 主引用文献 | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1. J.Med.Chem., 66, 2023
|
|
8FJZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fjz by Molmil](/molmil-images/mine/8fjz) | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(3R,5S)-3-Amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile | 分子名称: | (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1 | 著者 | McTigue, M, Johnson, E, Cronin, C. | 登録日 | 2022-12-20 | 公開日 | 2023-04-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.897 Å) | 主引用文献 | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1. J.Med.Chem., 66, 2023
|
|
8FP1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fp1 by Molmil](/molmil-images/mine/8fp1) | PKCeta kinase domain in complex with compound 2 | 分子名称: | (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, Protein kinase C eta type | 著者 | Johnson, E. | 登録日 | 2023-01-03 | 公開日 | 2023-04-05 | 最終更新日 | 2023-04-26 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1. J.Med.Chem., 66, 2023
|
|