7ZUR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zur by Molmil](/molmil-images/mine/7zur) | Four carbons pendant pyridine derivative of the natural alkaloid Berberine as Human Telomeric G-quadruplex Binder | 分子名称: | 16,17-dimethoxy-21-(4-pyridin-4-ylbutyl)-5,7-dioxa-13$l^{4}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15,17,19-octaene, DNA TAGGGTTAGGGT, POTASSIUM ION | 著者 | Bazzicalupi, C, Ferraroni, M, Gratteri, P, Papi, F. | 登録日 | 2022-05-13 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Probing the Efficiency of 13-Pyridylalkyl Berberine Derivatives to Human Telomeric G-Quadruplexes Binding: Spectroscopic, Solid State and In Silico Analysis. Int J Mol Sci, 23, 2022
|
|
7ZV8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zv8 by Molmil](/molmil-images/mine/7zv8) | Crystal structure of SARS Cov-2 main protease in complex with an inhibitor 58 | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, OCTANOIC ACID (CAPRYLIC ACID), ... | 著者 | Rahimova, R, Di Micco, S, Marquez, J.A. | 登録日 | 2022-05-13 | 公開日 | 2022-12-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.937 Å) | 主引用文献 | Rational design of the zonulin inhibitor AT1001 derivatives as potential anti SARS-CoV-2. Eur.J.Med.Chem., 244, 2022
|
|
6XO2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xo2 by Molmil](/molmil-images/mine/6xo2) | Structural Characterization of Beta Cyanoalanine Synthase from Tetranychus Urticae (two-spotted spider mite) | 分子名称: | ACETATE ION, Beta-cyanoalanine synthase, PYRIDOXAL-5'-PHOSPHATE | 著者 | Daneshian, L, Schlachter, C, Dermauw, W, Wybouw, N, Van Leeuwen, T, Chruszcz, M. | 登録日 | 2020-07-06 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural and functional characterization of beta-cyanoalanine synthase from Tetranychus urticae. Insect Biochem.Mol.Biol., 142, 2022
|
|
7Q1L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q1l by Molmil](/molmil-images/mine/7q1l) | Glycosilated Human Serum Apo-tranferrin | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | 著者 | Gavira, J.A, Moreno, A, Campos-Escamilla, C, Gonzalez-Ramirez, L.A, Siliqi, D. | 登録日 | 2021-10-20 | 公開日 | 2022-03-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | X-ray Characterization of Conformational Changes of Human Apo- and Holo-Transferrin. Int J Mol Sci, 22, 2021
|
|
5XLS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xls by Molmil](/molmil-images/mine/5xls) | Crystal structure of UraA in occluded conformation | 分子名称: | 12-TUNGSTOPHOSPHATE, URACIL, Uracil permease | 著者 | Yu, X.Z, Yang, G.H, Yan, C.Y, Yan, N. | 登録日 | 2017-05-11 | 公開日 | 2017-07-05 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Dimeric structure of the uracil:proton symporter UraA provides mechanistic insights into the SLC4/23/26 transporters Cell Res., 27, 2017
|
|
7ZX4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zx4 by Molmil](/molmil-images/mine/7zx4) | Clathrin N-terminal domain in complex with a HURP phospho-peptide | 分子名称: | CHLORIDE ION, Clathrin heavy chain 1, Disks large-associated protein 5, ... | 著者 | Kliche, J, Badgujar, D, Dobritzsch, D, Ivarsson, Y. | 登録日 | 2022-05-20 | 公開日 | 2023-03-29 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Large-scale phosphomimetic screening identifies phospho-modulated motif-based protein interactions. Mol.Syst.Biol., 19, 2023
|
|
7Q3V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q3v by Molmil](/molmil-images/mine/7q3v) | |
7ZNZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7znz by Molmil](/molmil-images/mine/7znz) | Crystal structure of unliganded form of FucOB, a GH95 family alpha-1,2-fucosidase from Akkermansia muciniphila | 分子名称: | FucOB, a GH95 family alpha-1,2-fucosidase, GLYCEROL | 著者 | Anso, I, Cifuente, J.O, Trastoy, B, Guerin, M.E. | 登録日 | 2022-04-23 | 公開日 | 2023-04-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Turning universal O into rare Bombay type blood. Nat Commun, 14, 2023
|
|
7ZJJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zjj by Molmil](/molmil-images/mine/7zjj) | CspZ (BbCRASP-2) from Borrelia burgdorferi strain B379 | 分子名称: | CspZ, NITRATE ION | 著者 | Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P. | 登録日 | 2022-04-11 | 公開日 | 2023-04-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural evolution of an immune evasion determinant shapes pathogen host tropism. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
7ZJM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zjm by Molmil](/molmil-images/mine/7zjm) | Crystal structure of a complex between CspZ from Borrelia burgdorferi strain B408 and human FH SCR domains 6-7 | 分子名称: | Complement factor H, CspZ, DI(HYDROXYETHYL)ETHER, ... | 著者 | Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P. | 登録日 | 2022-04-11 | 公開日 | 2023-04-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Structural evolution of an immune evasion determinant shapes pathogen host tropism. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
7ZJK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zjk by Molmil](/molmil-images/mine/7zjk) | CspZ (BbCRASP-2) from Borrelia burgdorferi strain B408 | 分子名称: | CspZ | 著者 | Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P. | 登録日 | 2022-04-11 | 公開日 | 2023-04-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structural evolution of an immune evasion determinant shapes pathogen host tropism. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
7ZO0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zo0 by Molmil](/molmil-images/mine/7zo0) | Crystal structure of catalytic inactive unliganded form of FucOB, a GH95 family alpha-1,2-fucosidase from Akkermansia muciniphila | 分子名称: | GH95 family alpha-1,2-fucosidase, GLYCEROL | 著者 | Anso, I, Cifuente, J.O, Trastoy, B, Guerin, M.E. | 登録日 | 2022-04-23 | 公開日 | 2023-04-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Turning universal O into rare Bombay type blood. Nat Commun, 14, 2023
|
|
5XPW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xpw by Molmil](/molmil-images/mine/5xpw) | Structure of amphioxus IgVJ-C2 molecule | 分子名称: | amphioxus IgVJ-C2 | 著者 | Chen, R, Qi, J, Zhang, N, Zhang, L, Yao, S, Wu, Y, Jiang, B, Wang, Z, Yuan, H, Zhang, Q, Xia, C. | 登録日 | 2017-06-05 | 公開日 | 2018-04-18 | 最終更新日 | 2018-04-25 | 実験手法 | X-RAY DIFFRACTION (2.003 Å) | 主引用文献 | Discovery and Analysis of Invertebrate IgVJ-C2 Structure from Amphioxus Provides Insight into the Evolution of the Ig Superfamily. J. Immunol., 200, 2018
|
|
7PNP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pnp by Molmil](/molmil-images/mine/7pnp) | |
7PWL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pwl by Molmil](/molmil-images/mine/7pwl) | PARP15 catalytic domain in complex with OUL218 | 分子名称: | 4-(1,3-thiazol-5-ylmethoxy)benzamide, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | 著者 | Maksimainen, M.M, Murthy, S, Lehtio, L. | 登録日 | 2021-10-07 | 公開日 | 2022-05-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15. Eur.J.Med.Chem., 237, 2022
|
|
7PWS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pws by Molmil](/molmil-images/mine/7pws) | PARP15 catalytic domain in complex with OUL255 | 分子名称: | 6-(cyclobutylmethoxy)phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15 | 著者 | Maksimainen, M.M, Lehtio, L. | 登録日 | 2021-10-07 | 公開日 | 2022-05-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15. Eur.J.Med.Chem., 237, 2022
|
|
7PWC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pwc by Molmil](/molmil-images/mine/7pwc) | PARP15 catalytic domain in complex with OUL238 | 分子名称: | 4-(cyclobutylmethoxy)benzamide, Protein mono-ADP-ribosyltransferase PARP15 | 著者 | Maksimainen, M.M, Lehtio, L. | 登録日 | 2021-10-06 | 公開日 | 2022-05-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15. Eur.J.Med.Chem., 237, 2022
|
|
7PWR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pwr by Molmil](/molmil-images/mine/7pwr) | PARP15 catalytic domain in complex with OUL254 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(cyclopentylmethoxy)phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15 | 著者 | Maksimainen, M.M, Lehtio, L. | 登録日 | 2021-10-07 | 公開日 | 2022-05-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15. Eur.J.Med.Chem., 237, 2022
|
|
7PX6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7px6 by Molmil](/molmil-images/mine/7px6) | PARP15 catalytic domain in complex with OUL241 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-[(2-fluorophenyl)methoxy]phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15 | 著者 | Maksimainen, M.M, Lehtio, L. | 登録日 | 2021-10-08 | 公開日 | 2022-05-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15. Eur.J.Med.Chem., 237, 2022
|
|
7PWA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pwa by Molmil](/molmil-images/mine/7pwa) | PARP15 catalytic domain in complex with OUL237 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(cyclopentylmethoxy)benzamide, Protein mono-ADP-ribosyltransferase PARP15 | 著者 | Maksimainen, M.M, Lehtio, L. | 登録日 | 2021-10-06 | 公開日 | 2022-05-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15. Eur.J.Med.Chem., 237, 2022
|
|
7PWU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pwu by Molmil](/molmil-images/mine/7pwu) | PARP15 catalytic domain in complex with OUL256 | 分子名称: | 6-(cyclopropylmethoxy)phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15 | 著者 | Maksimainen, M.M, Lehtio, L. | 登録日 | 2021-10-07 | 公開日 | 2022-05-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15. Eur.J.Med.Chem., 237, 2022
|
|
7PW3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pw3 by Molmil](/molmil-images/mine/7pw3) | PARP15 catalytic domain in complex with OUL217 | 分子名称: | 4-(cyclohexylmethoxy)benzamide, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | 著者 | Maksimainen, M.M, Murthy, S, Lehtio, L. | 登録日 | 2021-10-06 | 公開日 | 2022-05-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15. Eur.J.Med.Chem., 237, 2022
|
|
7PWP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pwp by Molmil](/molmil-images/mine/7pwp) | PARP15 catalytic domain in complex with OUL221 | 分子名称: | 4-[(3-bromophenyl)methoxy]-2-methoxy-benzamide, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | 著者 | Maksimainen, M.M, Murthy, S, Nizi, M.G, Lehtio, L. | 登録日 | 2021-10-07 | 公開日 | 2022-05-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15. Eur.J.Med.Chem., 237, 2022
|
|
7PLF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7plf by Molmil](/molmil-images/mine/7plf) | Human Carbonic Anhydrase I in complex with clorsulon | 分子名称: | 4-azanyl-6-[1,2,2-tris(chloranyl)ethenyl]benzene-1,3-disulfonamide, Carbonic anhydrase 1, ZINC ION | 著者 | Angeli, A, Ferraroni, M. | 登録日 | 2021-08-31 | 公開日 | 2022-09-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.461 Å) | 主引用文献 | Inhibition of Schistosoma mansoni carbonic anhydrase by the antiparasitic drug clorsulon: X-ray crystallographic and in vitro studies. Acta Crystallogr D Struct Biol, 78, 2022
|
|
7PG5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pg5 by Molmil](/molmil-images/mine/7pg5) | Crystal Structure of PI3Kalpha | 分子名称: | GLYCEROL, PHOSPHATE ION, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | 著者 | Gong, G, Pinotsis, N, Williams, R.L, Vanhaesebroeck, B. | 登録日 | 2021-08-13 | 公開日 | 2022-08-24 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.20029068 Å) | 主引用文献 | A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration. Nature, 618, 2023
|
|