5NL7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nl7 by Molmil](/molmil-images/mine/5nl7) | The crystal structure of the Actin Binding Domain (ABD) of alpha actinin from Entamoeba histolytica | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Calponin homology domain protein putative | Authors: | Pinotsis, N, Djinovic-Carugo, K, Khan, M.B. | Deposit date: | 2017-04-04 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Calcium modulates the domain flexibility and function of an alpha-actinin similar to the ancestral alpha-actinin. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
7VJT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vjt by Molmil](/molmil-images/mine/7vjt) | Crystal Structure of Mtb Pks13-TE in complex with inhibitor coumestan derivative 8 | Descriptor: | 3,8-bis(oxidanyl)-7-(piperidin-1-ylmethyl)-[1]benzofuro[3,2-c]chromen-6-one, Polyketide synthase Pks13 (Termination polyketide synthase) | Authors: | Zhang, W, Wang, S.S, Yu, L.F. | Deposit date: | 2021-09-28 | Release date: | 2022-09-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structure-Based Optimization of Coumestan Derivatives as Polyketide Synthase 13-Thioesterase(Pks13-TE) Inhibitors with Improved hERG Profiles for Mycobacterium tuberculosis Treatment. J.Med.Chem., 65, 2022
|
|
2ER6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2er6 by Molmil](/molmil-images/mine/2er6) | The structure of a synthetic pepsin inhibitor complexed with endothiapepsin. | Descriptor: | ENDOTHIAPEPSIN, H-256 peptide | Authors: | Cooper, J.B, Foundling, S.I, Szelke, M, Blundell, T.L. | Deposit date: | 1990-10-13 | Release date: | 1991-01-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structure of a synthetic pepsin inhibitor complexed with endothiapepsin Eur.J.Biochem., 169, 1987
|
|
7FAH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fah by Molmil](/molmil-images/mine/7fah) | Immune complex of head region of CA09 HA and neutralizing antibody 12H5 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | Authors: | Li, T.T, Xue, W.H, Gu, Y, Li, S.W. | Deposit date: | 2021-07-06 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.151 Å) | Cite: | Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses. Nat Commun, 13, 2022
|
|
4ER4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4er4 by Molmil](/molmil-images/mine/4er4) | HIGH-RESOLUTION X-RAY ANALYSES OF RENIN INHIBITOR-ASPARTIC PROTEINASE COMPLEXES | Descriptor: | ENDOTHIAPEPSIN, H-142 | Authors: | Foundling, S.I, Watson, F.E, Szelke, M, Blundell, T.L. | Deposit date: | 1991-01-05 | Release date: | 1991-04-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | High resolution X-ray analyses of renin inhibitor-aspartic proteinase complexes. Nature, 327, 1987
|
|
2LYW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lyw by Molmil](/molmil-images/mine/2lyw) | |
1SJJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1sjj by Molmil](/molmil-images/mine/1sjj) | |
7DCB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dcb by Molmil](/molmil-images/mine/7dcb) | |
7DCW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dcw by Molmil](/molmil-images/mine/7dcw) | |
1SH6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1sh6 by Molmil](/molmil-images/mine/1sh6) | |
7E58
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7e58 by Molmil](/molmil-images/mine/7e58) | interferon-inducible anti-viral protein 2 | Descriptor: | Guanylate-binding protein 2 | Authors: | Cui, W, Wang, W, Chen, C, Slater, B, Xiong, Y, Ji, X.Y, Yang, H.T. | Deposit date: | 2021-02-18 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7E59
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7e59 by Molmil](/molmil-images/mine/7e59) | interferon-inducible anti-viral protein truncated | Descriptor: | Guanylate-binding protein 5 | Authors: | Cui, W, Wang, W, Chen, C, Slater, B, Xiong, Y, Ji, X.Y, Yang, H.T. | Deposit date: | 2021-02-18 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7E5A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7e5a by Molmil](/molmil-images/mine/7e5a) | interferon-inducible anti-viral protein R356A | Descriptor: | ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, Guanylate-binding protein 5, ... | Authors: | Cui, W, Wang, W, Chen, C, Slater, B, Xiong, Y, Ji, X.Y, Yang, H.T. | Deposit date: | 2021-02-18 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
1PY1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1py1 by Molmil](/molmil-images/mine/1py1) | Complex of GGA1-VHS domain and beta-secretase C-terminal phosphopeptide | Descriptor: | ADP-ribosylation factor binding protein GGA1, Beta-secretase | Authors: | Zhu, G, Zhang, X.C. | Deposit date: | 2003-07-07 | Release date: | 2003-11-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Biochemical and structural characterization of the interaction of memapsin 2 (beta-secretase)
cytosolic domain with the VHS domain of GGA proteins. Biochemistry, 42, 2003
|
|
3S2A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3s2a by Molmil](/molmil-images/mine/3s2a) | Crystal structure of PI3K-gamma in complex with a quinoline inhibitor | Descriptor: | N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2011-05-16 | Release date: | 2011-06-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Phospshoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors: Discovery and Structure-Activity Relationships of a Series of Quinoline and Quinoxaline Derivatives. J.Med.Chem., 54, 2011
|
|
1SH5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1sh5 by Molmil](/molmil-images/mine/1sh5) | |
7CJM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cjm by Molmil](/molmil-images/mine/7cjm) | SARS CoV-2 PLpro in complex with GRL0617 | Descriptor: | 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, ZINC ION | Authors: | Fu, Z, Huang, H. | Deposit date: | 2020-07-11 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The complex structure of GRL0617 and SARS-CoV-2 PLpro reveals a hot spot for antiviral drug discovery. Nat Commun, 12, 2021
|
|
4ACM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4acm by Molmil](/molmil-images/mine/4acm) | CDK2 IN COMPLEX WITH 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}-PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE | Descriptor: | 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, CYCLIN-DEPENDENT KINASE 2, GLYCEROL | Authors: | Berg, S, Bhat, R, Anderson, M, Bergh, M, Brassington, C, Hellberg, S, Jerning, E, Hogdin, K, Lo-Alfredsson, Y, Neelissen, J, Nilsson, Y, Ormo, M, Soderman, P, Stanway, J, Tucker, J, von Berg, S, Weigelt, T, Xue, Y. | Deposit date: | 2011-12-16 | Release date: | 2012-05-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines. J. Med. Chem., 55, 2012
|
|
7CKF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ckf by Molmil](/molmil-images/mine/7ckf) | The N-terminus of interferon-inducible antiviral protein-dimer | Descriptor: | ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, Guanylate-binding protein 5, ... | Authors: | Cui, W, Yang, H.T. | Deposit date: | 2020-07-16 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.284 Å) | Cite: | Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7DBF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dbf by Molmil](/molmil-images/mine/7dbf) | |
7DC9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dc9 by Molmil](/molmil-images/mine/7dc9) | |
7DCA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dca by Molmil](/molmil-images/mine/7dca) | The structure of the Arabidopsis thaliana guanosine deaminase bound by xanthosine | Descriptor: | 2,3-dihydroxanthosine, Guanosine deaminase, ZINC ION | Authors: | Xie, W, Jia, Q, Zeng, H. | Deposit date: | 2020-10-23 | Release date: | 2021-09-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The C-terminal loop of Arabidopsis thaliana guanosine deaminase is essential to catalysis. Chem.Commun.(Camb.), 57, 2021
|
|
7DH1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dh1 by Molmil](/molmil-images/mine/7dh1) | The structure of the Arabidopsis thaliana guanosine deaminase in reaction with N2-Methylguanosine | Descriptor: | 2,3-dihydroxanthosine, Guanosine deaminase, ZINC ION | Authors: | Xie, W, Jia, Q, Zeng, H. | Deposit date: | 2020-11-12 | Release date: | 2022-02-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Substrate Specificity of GSDA Revealed by Cocrystal Structures and Binding Studies. Int J Mol Sci, 23, 2022
|
|
7DQN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dqn by Molmil](/molmil-images/mine/7dqn) | |
7DM6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dm6 by Molmil](/molmil-images/mine/7dm6) | The structure of the Arabidopsis thaliana guanosine deaminase complexed with crotonoside | Descriptor: | 6-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-purin-2-one, Guanosine deaminase, ZINC ION | Authors: | Xie, W, Jia, Q, Zeng, H. | Deposit date: | 2020-12-02 | Release date: | 2022-02-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Substrate Specificity of GSDA Revealed by Cocrystal Structures and Binding Studies. Int J Mol Sci, 23, 2022
|
|