4XTI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xti by Molmil](/molmil-images/mine/4xti) | Structure of IMP dehydrogenase of Ashbya gossypii with IMP bound to the active site | 分子名称: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, POTASSIUM ION | 著者 | Buey, R.M, Ledesma-Amaro, R, Balsera, M, de Pereda, J.M, Revuelta, J.L. | 登録日 | 2015-01-23 | 公開日 | 2015-07-22 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Increased riboflavin production by manipulation of inosine 5'-monophosphate dehydrogenase in Ashbya gossypii. Appl.Microbiol.Biotechnol., 99, 2015
|
|
4XWU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xwu by Molmil](/molmil-images/mine/4xwu) | Structure of the IMP dehydrogenase from Ashbya gossypii | 分子名称: | Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | 著者 | Buey, R.M, Ledesma-Amaro, R, Balsera, M, de Pereda, J.M, Revuelta, J.L. | 登録日 | 2015-01-29 | 公開日 | 2015-07-22 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Increased riboflavin production by manipulation of inosine 5'-monophosphate dehydrogenase in Ashbya gossypii. Appl.Microbiol.Biotechnol., 99, 2015
|
|
6LDF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ldf by Molmil](/molmil-images/mine/6ldf) | |
6LDE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lde by Molmil](/molmil-images/mine/6lde) | |
6LDG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ldg by Molmil](/molmil-images/mine/6ldg) | |
8QNV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qnv by Molmil](/molmil-images/mine/8qnv) | |
8QNT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qnt by Molmil](/molmil-images/mine/8qnt) | |
8R11
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8r11 by Molmil](/molmil-images/mine/8r11) | Structure of compound 7 bound to SARS-CoV-2 main protease | 分子名称: | 1,2-ETHANEDIOL, 1-[(2~{S})-2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(5-methylpyridin-3-yl)ethanone, 3C-like proteinase, ... | 著者 | Mac Sweeney, A, Hazemann, J. | 登録日 | 2023-11-01 | 公開日 | 2024-02-07 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches. Rsc Med Chem, 15, 2024
|
|
8R14
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8r14 by Molmil](/molmil-images/mine/8r14) | Structure of compound 11 bound to SARS-CoV-2 main protease | 分子名称: | (5-chloranylpyridin-3-yl)-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]methanone, 3C-like proteinase, BROMIDE ION, ... | 著者 | Mac Sweeney, A, Hazemann, J. | 登録日 | 2023-11-01 | 公開日 | 2024-02-07 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (1.336 Å) | 主引用文献 | Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches. Rsc Med Chem, 15, 2024
|
|
8R16
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8r16 by Molmil](/molmil-images/mine/8r16) | Structure of compound 12 bound to SARS-CoV-2 main protease | 分子名称: | 1,2-ETHANEDIOL, 1-[6,7-bis(chloranyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(5-methylpyridin-3-yl)ethanone, 3C-like proteinase, ... | 著者 | Mac Sweeney, A, Hazemann, J. | 登録日 | 2023-11-01 | 公開日 | 2024-02-07 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches. Rsc Med Chem, 15, 2024
|
|
8R12
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8r12 by Molmil](/molmil-images/mine/8r12) | Structure of compound 8 bound to SARS-CoV-2 main protease | 分子名称: | 2-[[4-(5-chloranylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile, 3C-like proteinase, CHLORIDE ION, ... | 著者 | Mac Sweeney, A, Hazemann, J. | 登録日 | 2023-11-01 | 公開日 | 2024-02-07 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (1.587 Å) | 主引用文献 | Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches. Rsc Med Chem, 15, 2024
|
|
4QBS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qbs by Molmil](/molmil-images/mine/4qbs) | |
4QBR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qbr by Molmil](/molmil-images/mine/4qbr) | |
4QBQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qbq by Molmil](/molmil-images/mine/4qbq) | |
6U91
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u91 by Molmil](/molmil-images/mine/6u91) | Crystal structure of DNMT3B(Q772R)-DNMT3L in complex with CpGpT DNA | 分子名称: | CpGpT DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ... | 著者 | Gao, L, Song, J. | 登録日 | 2019-09-06 | 公開日 | 2020-06-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.99998879 Å) | 主引用文献 | Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms To Be Published
|
|
6U90
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u90 by Molmil](/molmil-images/mine/6u90) | Crystal structure of DNMT3B(N779A)-DNMT3L in complex with CpGpT DNA | 分子名称: | CpGpT DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ... | 著者 | Gao, L, Song, J. | 登録日 | 2019-09-06 | 公開日 | 2020-06-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.00081754 Å) | 主引用文献 | Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms To Be Published
|
|
6VDP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vdp by Molmil](/molmil-images/mine/6vdp) | Crystal structure of SfmD truncated variant | 分子名称: | 3-methyl-L-tyrosine peroxygenase, HEME C | 著者 | Shin, I, Liu, A. | 登録日 | 2019-12-27 | 公開日 | 2021-03-10 | 最終更新日 | 2021-07-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A novel catalytic heme cofactor in SfmD with a single thioether bond and a bis -His ligand set revealed by a de novo crystal structural and spectroscopic study. Chem Sci, 12, 2021
|
|
6VDZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vdz by Molmil](/molmil-images/mine/6vdz) | |
6VE0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ve0 by Molmil](/molmil-images/mine/6ve0) | |
6VDQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vdq by Molmil](/molmil-images/mine/6vdq) | Crystal structure of SfmD | 分子名称: | 3-methyl-L-tyrosine peroxygenase, HEME C | 著者 | Shin, I, Liu, A. | 登録日 | 2019-12-27 | 公開日 | 2021-03-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | A novel catalytic heme cofactor in SfmD with a single thioether bond and a bis -His ligand set revealed by a de novo crystal structural and spectroscopic study. Chem Sci, 12, 2021
|
|
3LXE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lxe by Molmil](/molmil-images/mine/3lxe) | Human Carbonic Anhydrase I in complex with topiramate | 分子名称: | Carbonic anhydrase 1, ZINC ION, [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate | 著者 | Alterio, V, De Simone, G, Monti, S.M, Truppo, E. | 登録日 | 2010-02-25 | 公開日 | 2010-07-21 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The first example of a significant active site conformational rearrangement in a carbonic anhydrase-inhibitor adduct: the carbonic anhydrase I-topiramate complex. Org.Biomol.Chem., 2010
|
|
4IGH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4igh by Molmil](/molmil-images/mine/4igh) | High resolution crystal structure of human dihydroorotate dehydrogenase bound with 4-quinoline carboxylic acid analog | 分子名称: | 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, 6-fluoro-2-[2-methyl-4-phenoxy-5-(propan-2-yl)phenyl]quinoline-4-carboxylic acid, Dihydroorotate dehydrogenase (quinone), ... | 著者 | Deng, X, Das, P, Fontoura, B.M.A, Phillips, M.A, De Brabander, J.K. | 登録日 | 2012-12-17 | 公開日 | 2013-08-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | SAR Based Optimization of a 4-Quinoline Carboxylic Acid Analog with Potent Anti-Viral Activity. ACS MED.CHEM.LETT., 4, 2013
|
|
8UJA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uja by Molmil](/molmil-images/mine/8uja) | |
6EBS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ebs by Molmil](/molmil-images/mine/6ebs) | Crystal structure of Leishmania major dihydroorotate dehydrogenase mutant H174A in complex with orotate | 分子名称: | Dihydroorotate dehydrogenase (fumarate), FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | 著者 | Reis, R.A.G, Pinheiro, M.P, de Souza, A.L, Hunter, W.N, Nonato, M.C. | 登録日 | 2018-08-07 | 公開日 | 2019-08-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Crystal structure of Leishmania major dihydroorotate dehydrogenase mutant H174A in complex with orotate To Be Published
|
|
7JMH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jmh by Molmil](/molmil-images/mine/7jmh) | Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots - Frame 35 - State 4 (S4) | 分子名称: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ZINC ION, ... | 著者 | Dashti, A, des Georges, A, Frank, J, Ourmazd, A. | 登録日 | 2020-07-31 | 公開日 | 2020-08-12 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | 主引用文献 | Retrieving functional pathways of biomolecules from single-particle snapshots. Nat Commun, 11, 2020
|
|