8Q73
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8q73 by Molmil](/molmil-images/mine/8q73) | |
8Q75
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8q75 by Molmil](/molmil-images/mine/8q75) | |
8HEI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hei by Molmil](/molmil-images/mine/8hei) | Crystal structure of CTSB in complex with E64d | 分子名称: | Cathepsin B, GLYCEROL, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate | 著者 | Wang, H, Li, D, Sun, L, Yang, H. | 登録日 | 2022-11-08 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
|
|
8HET
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8het by Molmil](/molmil-images/mine/8het) | Crystal structure of CTSL in complex with E64d | 分子名称: | Procathepsin L, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate | 著者 | Wang, H, Shao, M, Sun, L, Yang, H. | 登録日 | 2022-11-08 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
|
|
8HD8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hd8 by Molmil](/molmil-images/mine/8hd8) | Crystal structure of TMPRSS2 in complex with 212-148 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | 著者 | Wang, H, Liu, X, Sun, L, Yang, H. | 登録日 | 2022-11-03 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
|
|
8HE9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8he9 by Molmil](/molmil-images/mine/8he9) | Crystal structure of CTSB in complex with K777 | 分子名称: | Cathepsin B, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Wang, H, Li, D, Sun, L, Yang, H. | 登録日 | 2022-11-07 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
|
|
8HFV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hfv by Molmil](/molmil-images/mine/8hfv) | Crystal structure of CTSL in complex with K777 | 分子名称: | CACODYLATE ION, Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide, Procathepsin L, ... | 著者 | Wang, H, Shao, M, Sun, L, Yang, H. | 登録日 | 2022-11-12 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
|
|
8HEN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hen by Molmil](/molmil-images/mine/8hen) | Crystal structure of CTSB in complex with 212-148 | 分子名称: | 2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate, Cathepsin B, DIMETHYL SULFOXIDE, ... | 著者 | Wang, H, Li, D, Sun, L, Yang, H. | 登録日 | 2022-11-08 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
|
|
6WJL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wjl by Molmil](/molmil-images/mine/6wjl) | Crystal structure of Glypican-2 core protein in complex with D3 Fab | 分子名称: | D3 Fab Heavy chain, D3 Fab Light Chain, Glypican-2, ... | 著者 | Raman, S, Maris, J.M, Bosse, K.R, Julien, J.P. | 登録日 | 2020-04-14 | 公開日 | 2021-04-21 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | A GPC2 antibody-drug conjugate is efficacious against neuroblastoma and small-cell lung cancer via binding a conformational epitope. Cell Rep Med, 2, 2021
|
|
4H2M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4h2m by Molmil](/molmil-images/mine/4h2m) | Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1408 | 分子名称: | 2,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamine, Undecaprenyl pyrophosphate synthase | 著者 | Zhu, W, Oldfield, E. | 登録日 | 2012-09-12 | 公開日 | 2012-12-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Antibacterial drug leads targeting isoprenoid biosynthesis. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4H8E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4h8e by Molmil](/molmil-images/mine/4h8e) | |
5TKK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tkk by Molmil](/molmil-images/mine/5tkk) | |
7CMZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cmz by Molmil](/molmil-images/mine/7cmz) | Crystal Structure of BRCT7/8 in Complex with the APS Motif of PHF8 | 分子名称: | DNA topoisomerase 2-binding protein 1, Histone lysine demethylase PHF8, POTASSIUM ION, ... | 著者 | Che, S.Y, Ma, S, Cao, C, Yao, Z, Shi, L, Yang, N. | 登録日 | 2020-07-29 | 公開日 | 2021-03-17 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.695 Å) | 主引用文献 | PHF8-promoted TOPBP1 demethylation drives ATR activation and preserves genome stability. Sci Adv, 7, 2021
|
|
4H38
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4h38 by Molmil](/molmil-images/mine/4h38) | |
4H3C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4h3c by Molmil](/molmil-images/mine/4h3c) | |
5EQY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5eqy by Molmil](/molmil-images/mine/5eqy) | Crystal structure of choline kinase alpha-1 bound by 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile (compound 65) | 分子名称: | 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile, Choline kinase alpha | 著者 | Zhou, T, Zhu, X, Dalgarno, D.C. | 登録日 | 2015-11-13 | 公開日 | 2016-01-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery. J.Med.Chem., 59, 2016
|
|
5IHC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ihc by Molmil](/molmil-images/mine/5ihc) | MELK in complex with NVS-MELK12B | 分子名称: | 4-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine, Maternal embryonic leucine zipper kinase | 著者 | Sprague, E.R, Brazell, T. | 登録日 | 2016-02-29 | 公開日 | 2016-06-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J.Med.Chem., 59, 2016
|
|
5IHA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5iha by Molmil](/molmil-images/mine/5iha) | MELK in complex with NVS-MELK8F | 分子名称: | 1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1H-pyrazol-1-yl}phenyl)piperazine, Maternal embryonic leucine zipper kinase | 著者 | Sprague, E.R, Brazell, T. | 登録日 | 2016-02-29 | 公開日 | 2016-06-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J.Med.Chem., 59, 2016
|
|
4N6J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n6j by Molmil](/molmil-images/mine/4n6j) | Crystal structure of human Striatin-3 coiled coil domain | 分子名称: | Striatin-3 | 著者 | Chen, C, Shi, Z, Zhou, Z. | 登録日 | 2013-10-13 | 公開日 | 2014-02-26 | 最終更新日 | 2019-12-25 | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | 主引用文献 | Striatins contain a noncanonical coiled coil that binds protein phosphatase 2A A subunit to form a 2:2 heterotetrameric core of striatin-interacting phosphatase and kinase (STRIPAK) complex. J.Biol.Chem., 289, 2014
|
|
8ILQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ilq by Molmil](/molmil-images/mine/8ilq) | Structure of SFTSV Gn-Gc heterodimer | 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, Envelopment polyprotein | 著者 | Du, S, Peng, R, Qi, J, Li, C. | 登録日 | 2023-03-04 | 公開日 | 2023-09-13 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | 主引用文献 | Cryo-EM structure of severe fever with thrombocytopenia syndrome virus. Nat Commun, 14, 2023
|
|
8I4T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8i4t by Molmil](/molmil-images/mine/8i4t) | Structure of the asymmetric unit of SFTSV virion | 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, Envelopment polyprotein | 著者 | Du, S, Peng, R, Qi, J, Li, C. | 登録日 | 2023-01-21 | 公開日 | 2023-09-13 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (5.2 Å) | 主引用文献 | Cryo-EM structure of severe fever with thrombocytopenia syndrome virus. Nat Commun, 14, 2023
|
|
7E7E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7e7e by Molmil](/molmil-images/mine/7e7e) | The co-crystal structure of ACE2 with Fab | 分子名称: | Processed angiotensin-converting enzyme 2, ZINC ION, h11B11-Fab | 著者 | Xiao, J.Y, Zhang, Y. | 登録日 | 2021-02-26 | 公開日 | 2021-07-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | 主引用文献 | A broadly neutralizing humanized ACE2-targeting antibody against SARS-CoV-2 variants. Nat Commun, 12, 2021
|
|
5EWS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ews by Molmil](/molmil-images/mine/5ews) | Sugar binding protein - human galectin-2 | 分子名称: | Galectin-2, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | 著者 | Su, J.Y, Si, Y.L. | 登録日 | 2015-11-21 | 公開日 | 2016-09-14 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Human galectin-2 interacts with carbohydrates and peptides non-classically: new insight from X-ray crystallography and hemagglutination. Acta Biochim. Biophys. Sin. (Shanghai), 48, 2016
|
|
7E39
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7e39 by Molmil](/molmil-images/mine/7e39) | |
7E3B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7e3b by Molmil](/molmil-images/mine/7e3b) | |