7SEG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7seg by Molmil](/molmil-images/mine/7seg) | Crystal structure of the complex of CD16A bound by an anti-CD16A Fab | 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, GLYCEROL, ... | 著者 | Kiefer, J.R, Wallweber, H.A, Polson, A.G. | 登録日 | 2021-09-30 | 公開日 | 2021-11-24 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.156 Å) | 主引用文献 | A BCMA/CD16A bispecific innate cell engager for the treatment of multiple myeloma. Leukemia, 36, 2022
|
|
5I3Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i3z by Molmil](/molmil-images/mine/5i3z) | |
5TID
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tid by Molmil](/molmil-images/mine/5tid) | X-ray structure of acyl-CoA thioesterase I, TesA, mutant M141L/Y145K/L146K at pH 5 in complex with octanoic acid | 分子名称: | Acyl-CoA thioesterase I, OCTANOIC ACID (CAPRYLIC ACID) | 著者 | Thoden, J.B, Holden, H.M, Grisewood, M.J, Hernandez Lozada, N.J, Gifford, N.P, Mendez-Perez, D, Schoenberger, H.A, Allan, M.F, Pfleger, B.F, Marines, C.D. | 登録日 | 2016-10-02 | 公開日 | 2017-04-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids. ACS Catal, 7, 2017
|
|
5TIC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tic by Molmil](/molmil-images/mine/5tic) | X-ray structure of wild-type E. coli Acyl-CoA thioesterase I at pH 5 | 分子名称: | Acyl-CoA thioesterase I, CHLORIDE ION | 著者 | Thoden, J.B, Holden, H.M, Grisewood, M.J, Hernandez Lozada, N.J, Gifford, N.P, Mendez-Perez, D, Schoenberger, H.A, Allan, M.F, Pfleger, B.F, Marines, C.D. | 登録日 | 2016-10-02 | 公開日 | 2017-04-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids. ACS Catal, 7, 2017
|
|
6EZQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ezq by Molmil](/molmil-images/mine/6ezq) | human Serum Albumin complexed with NBD-C12 fatty acid | 分子名称: | 12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoic acid, Serum albumin | 著者 | Wenskowsky, L, Liesum, A, Schreuder, H.A. | 登録日 | 2017-11-16 | 公開日 | 2017-12-13 | 最終更新日 | 2018-01-24 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Identification and Characterization of a Single High-Affinity Fatty Acid Binding Site in Human Serum Albumin. Angew. Chem. Int. Ed. Engl., 57, 2018
|
|
5U9D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u9d by Molmil](/molmil-images/mine/5u9d) | Discovery of a potent BTK inhibitor with a novel binding mode using parallel selections with a DNA-encoded chemical library | 分子名称: | (R)-N-methyl-2-(3-((quinoxalin-6-ylamino)methyl)furan-2-carbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | 著者 | Cuozzo, J.W, Centrella, P.A, Gikunju, D, Habeshian, S, Hupp, C.D, Keefe, A.D, Sigel, E, Soutter, H.H, Thomson, H.A, Zhang, Y, Clark, M.A. | 登録日 | 2016-12-16 | 公開日 | 2017-01-18 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Discovery of a Potent BTK Inhibitor with a Novel Binding Mode by Using Parallel Selections with a DNA-Encoded Chemical Library. Chembiochem, 18, 2017
|
|
5I4B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i4b by Molmil](/molmil-images/mine/5i4b) | |
6F5K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6f5k by Molmil](/molmil-images/mine/6f5k) | Crystal structure of laccase from Myceliophthora thermophila | 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, CALCIUM ION, ... | 著者 | Ernst, H.A, Joergensen, L.J, Piontek, K, Bukh, C, Oestergaard, L.H, Larsen, S, Bjerrum, M.J. | 登録日 | 2017-12-01 | 公開日 | 2018-12-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | A comparative structural analysis of the surface properties of asco-laccases. Plos One, 13, 2018
|
|
6FFQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ffq by Molmil](/molmil-images/mine/6ffq) | |
6FFU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ffu by Molmil](/molmil-images/mine/6ffu) | |
5UG3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ug3 by Molmil](/molmil-images/mine/5ug3) | NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN GID MUTANT A10V | 分子名称: | Alpha-conotoxin GID | 著者 | Hussein, A.K, Leffler, A.E, Zebroski, H.A, Powell, S.R, Kuryatov, A, Filipenko, P, Gorson, J, Heizmann, A, Lyskov, S, Nicke, A, Lindstrom, J, Rudy, B, Bonneau, R, Holford, M, Poget, S.F. | 登録日 | 2017-01-06 | 公開日 | 2017-09-06 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Discovery of peptide ligands through docking and virtual screening at nicotinic acetylcholine receptor homology models. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5UG5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ug5 by Molmil](/molmil-images/mine/5ug5) | NMR SOLUTION STRUCTURE OF THE ALPHA-CONOTOXIN GID MUTANT V13Y | 分子名称: | Alpha-conotoxin GID | 著者 | Hussein, A, Leffler, A.E, Kuryatov, A, Zebroski, H.A, Powell, S.R, Filipenko, P, Gorson, J, Heizmann, A, Lyskov, S, Nicke, A, Lindstrom, J, Rudy, B, Bonneau, R, Holford, M, Poget, S.F. | 登録日 | 2017-01-06 | 公開日 | 2017-09-06 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Discovery of peptide ligands through docking and virtual screening at nicotinic acetylcholine receptor homology models. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
6FIP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fip by Molmil](/molmil-images/mine/6fip) | |
5TIF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tif by Molmil](/molmil-images/mine/5tif) | x-ray structure of acyl-CoA thioesterase I, TesA, triple mutant M141L/Y145K/L146K in complex with octanoic acid | 分子名称: | Acyl-CoA thioesterase I, DI(HYDROXYETHYL)ETHER, OCTANOIC ACID (CAPRYLIC ACID) | 著者 | Thoden, J.B, Holden, H.M, Grisewood, M.J, Hernandez Lozada, N.J, Gifford, N.P, Mendez-Perez, D, Schoenberger, H.A, Allan, M.F, Pfleger, B.F, Marines, C.D. | 登録日 | 2016-10-02 | 公開日 | 2017-04-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (0.97 Å) | 主引用文献 | Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids. ACS Catal, 7, 2017
|
|
5I48
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i48 by Molmil](/molmil-images/mine/5i48) | |
6FKG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fkg by Molmil](/molmil-images/mine/6fkg) | Crystal structure of the M.tuberculosis MbcT-MbcA toxin-antitoxin complex. | 分子名称: | GLYCEROL, Rv1989c (MbcT), Rv1990c (MbcA) | 著者 | Freire, D.M, Cianci, M, Pogenberg, V, Schneider, T.R, Wilmanns, M, Parret, A.H.A. | 登録日 | 2018-01-24 | 公開日 | 2019-02-27 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | An NAD+Phosphorylase Toxin Triggers Mycobacterium tuberculosis Cell Death. Mol.Cell, 73, 2019
|
|
4RAG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rag by Molmil](/molmil-images/mine/4rag) | CRYSTAL STRUCTURE of PPC2A-D38K | 分子名称: | MANGANESE (II) ION, Protein phosphatase 1A | 著者 | Pan, C, Tang, J.Y, Xu, Y.F, Xiao, P, Liu, H.D, Wang, H.A, Wang, W.B, Meng, F.G, Yu, X, Sun, J.P. | 登録日 | 2014-09-10 | 公開日 | 2015-08-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | The catalytic role of the M2 metal ion in PP2C alpha Sci Rep, 5, 2015
|
|
5TIE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tie by Molmil](/molmil-images/mine/5tie) | x-ray structure of acyl-CoA thioesterase I, TesA, mutant M141L/Y145K/L146K at pH 7.5 in complex with octanoic acid | 分子名称: | Acyl-CoA thioesterase I, OCTANOIC ACID (CAPRYLIC ACID) | 著者 | Thoden, J.B, Holden, H.M, Grisewood, M.J, Hernandez Lozada, N.J, Gifford, N.P, Mendez-Perez, D, Schoenberger, H.A, Allan, M.F, Pfleger, B.F, Marines, C.D. | 登録日 | 2016-10-02 | 公開日 | 2017-04-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids. ACS Catal, 7, 2017
|
|
6GB1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gb1 by Molmil](/molmil-images/mine/6gb1) | |
5K3O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5k3o by Molmil](/molmil-images/mine/5k3o) | |
5K45
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5k45 by Molmil](/molmil-images/mine/5k45) | |
5K4H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5k4h by Molmil](/molmil-images/mine/5k4h) | |
5HW0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hw0 by Molmil](/molmil-images/mine/5hw0) | |
5K4G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5k4g by Molmil](/molmil-images/mine/5k4g) | |
4RAF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4raf by Molmil](/molmil-images/mine/4raf) | Crystal structure of PP2Ca-D38A | 分子名称: | MANGANESE (II) ION, Protein phosphatase 1A | 著者 | Pan, C, Tang, J.Y, Xu, Y.F, Xiao, P, Liu, H.D, Wang, H.A, Wang, W.B, Meng, F.G, Yu, X, Sun, J.P. | 登録日 | 2014-09-10 | 公開日 | 2015-08-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | 主引用文献 | The catalytic role of the M2 metal ion in PP2C alpha Sci Rep, 5, 2015
|
|