5HPP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hpp by Molmil](/molmil-images/mine/5hpp) | |
5XAQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xaq by Molmil](/molmil-images/mine/5xaq) | |
5XCB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xcb by Molmil](/molmil-images/mine/5xcb) | |
7RWF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rwf by Molmil](/molmil-images/mine/7rwf) | Crystal structure of CDK2 in complex with TW8672 | 分子名称: | 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, Cyclin-dependent kinase 2 | 著者 | Sun, L, Schonbrunn, E. | 登録日 | 2021-08-19 | 公開日 | 2022-08-24 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding. Nat Commun, 14, 2023
|
|
5XCP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xcp by Molmil](/molmil-images/mine/5xcp) | |
5XGF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xgf by Molmil](/molmil-images/mine/5xgf) | |
5HVS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hvs by Molmil](/molmil-images/mine/5hvs) | Crystal Structure of Macrophage Migration Inhibitory Factor (MIF) with a Biaryltriazole Inhibitor (3i-305) | 分子名称: | 3-({2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]quinolin-5-yl}oxy)benzoic acid, GLYCEROL, Macrophage migration inhibitory factor, ... | 著者 | Robertson, M.J, Jorgensen, W.L. | 登録日 | 2016-01-28 | 公開日 | 2016-06-29 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | A Fluorescence Polarization Assay for Binding to Macrophage Migration Inhibitory Factor and Crystal Structures for Complexes of Two Potent Inhibitors. J.Am.Chem.Soc., 138, 2016
|
|
7S8K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s8k by Molmil](/molmil-images/mine/7s8k) | Crystal structure of a GH12-2 family cellulase from Thermococcus sp. 2319x1 | 分子名称: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CALCIUM ION, CHLORIDE ION, ... | 著者 | Stogios, P.J, Skarina, T, Khusnutdinova, A, Yakunin, A.F, Savchenko, A. | 登録日 | 2021-09-18 | 公開日 | 2022-08-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | GH12-2 family cellulase To Be Published
|
|
7S4T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s4t by Molmil](/molmil-images/mine/7s4t) | Crystal structure of CDK2 liganded with compound EF2252 | 分子名称: | 1,2-ETHANEDIOL, 2-{[2-(6-chloro-1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, Cyclin-dependent kinase 2 | 著者 | Sun, L, Schonbrunn, E. | 登録日 | 2021-09-09 | 公開日 | 2022-09-21 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice. J.Med.Chem., 66, 2023
|
|
5XDP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xdp by Molmil](/molmil-images/mine/5xdp) | |
5XCN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xcn by Molmil](/molmil-images/mine/5xcn) | |
5HPM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hpm by Molmil](/molmil-images/mine/5hpm) | Cetuximab Fab in complex with cyclic linked meditope | 分子名称: | 2-AMINO-3-MERCAPTO-PROPIONAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cetuximab Fab heavy chain, ... | 著者 | Bzymek, K.P, Williams, J.C. | 登録日 | 2016-01-20 | 公開日 | 2016-06-15 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Cyclization strategies of meditopes: affinity and diffraction studies of meditope-Fab complexes. Acta Crystallogr F Struct Biol Commun, 72, 2016
|
|
7S85
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s85 by Molmil](/molmil-images/mine/7s85) | Crystal structure of CDK2 liganded with compound WN316 | 分子名称: | 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethoxy)benzoic acid, Cyclin-dependent kinase 2 | 著者 | Sun, L, Schonbrunn, E. | 登録日 | 2021-09-17 | 公開日 | 2022-09-28 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice. J.Med.Chem., 66, 2023
|
|
5XPJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xpj by Molmil](/molmil-images/mine/5xpj) | |
7RVS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rvs by Molmil](/molmil-images/mine/7rvs) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI19 | 分子名称: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide | 著者 | Yang, K, Liu, W. | 登録日 | 2021-08-19 | 公開日 | 2022-07-20 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
|
|
7RVR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rvr by Molmil](/molmil-images/mine/7rvr) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI18 | 分子名称: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | 著者 | Yang, K, Liu, W. | 登録日 | 2021-08-19 | 公開日 | 2022-07-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
|
|
7RW0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rw0 by Molmil](/molmil-images/mine/7rw0) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI27 | 分子名称: | 3C-like proteinase, N-{[(3-chlorophenyl)methoxy]carbonyl}-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide | 著者 | Yang, K, Liu, W. | 登録日 | 2021-08-19 | 公開日 | 2022-07-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
|
|
7RVM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rvm by Molmil](/molmil-images/mine/7rvm) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI11 | 分子名称: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | 著者 | Yang, K, Liu, W. | 登録日 | 2021-08-19 | 公開日 | 2022-07-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
|
|
5HOY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hoy by Molmil](/molmil-images/mine/5hoy) | X-ray crystallographic structure of an A-beta 17_36 beta-hairpin. X-ray diffractometer data set. (LVFFAEDCGSNKCAII(SAR)LMV). | 分子名称: | Amyloid beta A4 protein, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500) | 著者 | Kreutzer, A.G, Spencer, R.K, Nowick, J.S. | 登録日 | 2016-01-19 | 公開日 | 2016-03-23 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.295 Å) | 主引用文献 | X-ray Crystallographic Structures of a Trimer, Dodecamer, and Annular Pore Formed by an A beta 17-36 beta-Hairpin. J.Am.Chem.Soc., 138, 2016
|
|
7RVW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rvw by Molmil](/molmil-images/mine/7rvw) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI23 | 分子名称: | 3C-like proteinase, benzyl (1-{[(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamoyl}cyclopropyl)carbamate | 著者 | Yang, K, Liu, W. | 登録日 | 2021-08-19 | 公開日 | 2022-07-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
|
|
7SDB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sdb by Molmil](/molmil-images/mine/7sdb) | |
7SDD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sdd by Molmil](/molmil-images/mine/7sdd) | Structure of the PTP-like myo-inositol phosphatase from Legionella pneumophila str. Paris in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate | 分子名称: | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Myo-inositol phosphohydrolase | 著者 | Cleland, C.P, Mosimann, S.C. | 登録日 | 2021-09-29 | 公開日 | 2022-10-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure of the PTP-like myo-inositol phosphatase from Legionella pneumophila str. Paris in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate To Be Published
|
|
5XAO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xao by Molmil](/molmil-images/mine/5xao) | Crystal structure of Phaeospaeria nodrum fructosyl peptide oxidase mutant Asn56Ala in complexes with sodium and chloride ions | 分子名称: | ACETIC ACID, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Yoshida, H, Kamitori, S, Sode, K. | 登録日 | 2017-03-14 | 公開日 | 2017-06-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | X-ray structures of fructosyl peptide oxidases revealing residues responsible for gating oxygen access in the oxidative half reaction Sci Rep, 7, 2017
|
|
7RVV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rvv by Molmil](/molmil-images/mine/7rvv) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI22 | 分子名称: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-2-methyl-L-alanyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | 著者 | Yang, K, Liu, W. | 登録日 | 2021-08-19 | 公開日 | 2022-07-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
|
|
7RVQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rvq by Molmil](/molmil-images/mine/7rvq) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI16 | 分子名称: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | 著者 | Yang, K, Liu, W. | 登録日 | 2021-08-19 | 公開日 | 2022-07-20 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
|
|