6U46
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u46 by Molmil](/molmil-images/mine/6u46) | |
6HP0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hp0 by Molmil](/molmil-images/mine/6hp0) | Complex of Neuraminidase from H1N1 Influenza Virus in Complex with Oseltamivir Triazol Derivative | Descriptor: | (3~{R},4~{R},5~{S})-4-acetamido-5-[4-(hydroxymethyl)-1,2,3-triazol-1-yl]-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pachl, P, Pokorna, J. | Deposit date: | 2018-09-19 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Investigation of flexibility of neuraminidase 150-loop using tamiflu derivatives in influenza A viruses H1N1 and H5N1. Bioorg.Med.Chem., 27, 2019
|
|
6HGN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hgn by Molmil](/molmil-images/mine/6hgn) | |
6UCO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uco by Molmil](/molmil-images/mine/6uco) | |
6HQ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hq2 by Molmil](/molmil-images/mine/6hq2) | Structure of EAL Enzyme Bd1971 - apo form | Descriptor: | EAL Enzyme Bd1971 | Authors: | Lovering, A.L, Cadby, I.T. | Deposit date: | 2018-09-24 | Release date: | 2019-07-31 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Nucleotide signaling pathway convergence in a cAMP-sensing bacterial c-di-GMP phosphodiesterase. Embo J., 38, 2019
|
|
8BQQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bqq by Molmil](/molmil-images/mine/8bqq) | Hen Egg-White Lysozyme (HEWL) complexed with amine-functionalised Anderson-Evans polyoxometalate | Descriptor: | CHLORIDE ION, Lysozyme C, Mn-Mo(6)-N(2)-O(24)-C(8) cluster | Authors: | Lentink, S, Salazar Marcano, D.E, Moussawi, M.A, Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. | Deposit date: | 2022-11-21 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins. Faraday Disc.Chem.Soc, 244, 2023
|
|
5CU0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cu0 by Molmil](/molmil-images/mine/5cu0) | Crystal structure of CK2alpha with 2-hydroxy-5-methylbenzoic acid and N-(3-(3-chloro-4-(phenyl)benzylamino)propyl)acetamide bound | Descriptor: | 2-hydroxy-5-methylbenzoic acid, ACETATE ION, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | Deposit date: | 2015-07-24 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
|
|
6UCP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ucp by Molmil](/molmil-images/mine/6ucp) | |
8BQR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bqr by Molmil](/molmil-images/mine/8bqr) | Hen Egg-White Lysozyme (HEWL) complexed with biotin-functionalised Anderson-Evans polyoxometalate | Descriptor: | Anderson-Evans polyoxometalate (biotin-functionalised), CALCIUM ION, Lysozyme C | Authors: | Lentink, S, Salazar Marcano, D.E, Moussawi, M.A, Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. | Deposit date: | 2022-11-21 | Release date: | 2023-03-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins. Faraday Disc.Chem.Soc, 244, 2023
|
|
3DT1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dt1 by Molmil](/molmil-images/mine/3dt1) | P38 Complexed with a quinazoline inhibitor | Descriptor: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide | Authors: | Herberich, B, Syed, R, Li, V, Tasker, A.S. | Deposit date: | 2008-07-14 | Release date: | 2008-10-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold. J.Med.Chem., 51, 2008
|
|
3DXG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dxg by Molmil](/molmil-images/mine/3dxg) | Ribonuclease A- uridine 5' phosphate complex | Descriptor: | Ribonuclease pancreatic, URIDINE-5'-MONOPHOSPHATE | Authors: | Tsirkone, V.G, Dossi, K, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Kontou, M. | Deposit date: | 2008-07-24 | Release date: | 2009-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Inhibitor design to Ribonuclease A: The binding of two 5'phosphate uridine analogues Acta Crystallogr.,Sect.F, 2009
|
|
5D77
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d77 by Molmil](/molmil-images/mine/5d77) | Structure of Mip6 RRM3 Domain | Descriptor: | CITRIC ACID, NITRATE ION, RNA-binding protein MIP6, ... | Authors: | Mohamad, N, Bravo, J. | Deposit date: | 2015-08-13 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of Mip6 RRM3 domain at 1.3 To Be Published
|
|
3DXN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dxn by Molmil](/molmil-images/mine/3dxn) | Crystal structure of the calcium-dependent kinase from toxoplasma gondii, 541.m00134, kinase domain. | Descriptor: | Calmodulin-like domain protein kinase isoform 3 | Authors: | Wernimont, A.K, Lew, J, Kozieradzki, I, Cossar, D, Wasney, G, Lin, Y.H, Hassani, A, Ali, A, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Wikstrom, M, Edwards, A.M, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2008-07-24 | Release date: | 2008-09-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Crystal structure of the calcium-dependent kinase from toxoplasma gondii, 541.m00134, kinase domain. To be Published
|
|
5D7A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d7a by Molmil](/molmil-images/mine/5d7a) | Crystal structure of the kinase domain of TRAF2 and NCK-interacting protein kinase with NCB-0846 | Descriptor: | SULFATE ION, TRAF2 and NCK-interacting protein kinase, cis-4-{[2-(1H-benzimidazol-5-ylamino)quinazolin-8-yl]oxy}cyclohexanol | Authors: | Ohbayashi, N, Kukimoto-Niino, M, Yamada, T, Shirouzu, M. | Deposit date: | 2015-08-13 | Release date: | 2016-08-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | TNIK inhibition abrogates colorectal cancer stemness Nat Commun, 7, 2016
|
|
3E1X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3e1x by Molmil](/molmil-images/mine/3e1x) | The Crystal Structure of Apo Prostasin at 1.7 Angstroms Resolution | Descriptor: | GLYCEROL, Prostasin | Authors: | Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. | Deposit date: | 2008-08-04 | Release date: | 2009-05-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations. Protein Sci., 18, 2009
|
|
5CT0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ct0 by Molmil](/molmil-images/mine/5ct0) | Crystal structure of CK2alpha with 3-(3-chloro-4-(phenyl)benzylamino)propan-1-ol bound | Descriptor: | 3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propan-1-ol, ACETATE ION, Casein kinase II subunit alpha | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | Deposit date: | 2015-07-23 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.008 Å) | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
|
|
3ER5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3er5 by Molmil](/molmil-images/mine/3er5) | THE ACTIVE SITE OF ASPARTIC PROTEINASES | Descriptor: | ENDOTHIAPEPSIN, H-189 | Authors: | Bailey, D, Veerapandian, B, Cooper, J, Szelke, M, Blundell, T.L. | Deposit date: | 1991-01-05 | Release date: | 1991-04-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray-crystallographic studies of complexes of pepstatin A and a statine-containing human renin inhibitor with endothiapepsin. Biochem.J., 289 ( Pt 2), 1993
|
|
3EKF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ekf by Molmil](/molmil-images/mine/3ekf) | |
3E4E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3e4e by Molmil](/molmil-images/mine/3e4e) | |
3E3T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3e3t by Molmil](/molmil-images/mine/3e3t) | Structure of porcine pancreatic elastase with the magic triangle I3C | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Elastase-1, IODIDE ION, ... | Authors: | Beck, T, Gruene, T, Sheldrick, G.M. | Deposit date: | 2008-08-08 | Release date: | 2008-10-28 | Last modified: | 2012-04-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A magic triangle for experimental phasing of macromolecules Acta Crystallogr.,Sect.D, 64, 2008
|
|
6TCU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tcu by Molmil](/molmil-images/mine/6tcu) | Glycogen synthase kinase-3 beta (GSK3b) in complex with ligand 1 | Descriptor: | 5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide, ACETATE ION, Glycogen synthase kinase-3 beta | Authors: | Lammens, A, Krapp, S, Buonfiglio, R, Ombrato, R. | Deposit date: | 2019-11-06 | Release date: | 2020-09-16 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Optimization of Indazole-Based GSK-3 Inhibitors with Mitigated hERG Issue andIn VivoActivity in a Mood Disorder Model. Acs Med.Chem.Lett., 11, 2020
|
|
3E7Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3e7y by Molmil](/molmil-images/mine/3e7y) | Structure of human insulin | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | Authors: | Timofeev, V.I, Baidus, A.N, Kislitsyn, Y.A, Kuranova, I.P. | Deposit date: | 2008-08-19 | Release date: | 2009-02-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of human insulin to be published
|
|
5D9H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d9h by Molmil](/molmil-images/mine/5d9h) | Crystal structure of SPAK (STK39) dimer in the basal activity state | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, STE20/SPS1-related proline-alanine-rich protein kinase, ... | Authors: | Taylor, C.A, Juang, Y.C, Goldsmith, E.J, Cobb, M.H. | Deposit date: | 2015-08-18 | Release date: | 2015-09-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Domain-Swapping Switch Point in Ste20 Protein Kinase SPAK. Biochemistry, 54, 2015
|
|
3E5H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3e5h by Molmil](/molmil-images/mine/3e5h) | Crystal Structure of Rab28 GTPase in the Active (GppNHp-bound) Form | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Lee, S.H, Baek, K, Li, Y, Dominguez, R. | Deposit date: | 2008-08-13 | Release date: | 2008-08-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Large nucleotide-dependent conformational change in Rab28. Febs Lett., 582, 2008
|
|
6HBI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hbi by Molmil](/molmil-images/mine/6hbi) | SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72V, DEOXY FORM | Descriptor: | HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Royer Junior, W.E. | Deposit date: | 1998-06-25 | Release date: | 1998-11-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity. J.Mol.Biol., 284, 1998
|
|