6ZEW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zew by Molmil](/molmil-images/mine/6zew) | Keap1 kelch domain bound to a small molecule fragment | Descriptor: | 7-methoxy-1~{H}-benzotriazole, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2020-06-16 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
|
|
6ZF2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zf2 by Molmil](/molmil-images/mine/6zf2) | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | Descriptor: | 5-cyclopropyl-1-[3-[(4-propylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2020-06-16 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
|
|
6ZF4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zf4 by Molmil](/molmil-images/mine/6zf4) | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | Descriptor: | 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2020-06-16 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
|
|
6ZF3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zf3 by Molmil](/molmil-images/mine/6zf3) | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | Descriptor: | DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, SULFATE ION, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2020-06-16 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
|
|
6ZF7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zf7 by Molmil](/molmil-images/mine/6zf7) | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | Descriptor: | 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2020-06-16 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
|
|
6ZF0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zf0 by Molmil](/molmil-images/mine/6zf0) | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | Descriptor: | 5-cyclopropyl-1-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2020-06-16 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
|
|
3DAJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3daj by Molmil](/molmil-images/mine/3daj) | |
6A9X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6a9x by Molmil](/molmil-images/mine/6a9x) | Crystal Structure of AnkG/GABARAP Complex | Descriptor: | Ankyrin-3, Gamma-aminobutyric acid receptor-associated protein | Authors: | Wang, C, Li, J, Chen, K, Zhang, M. | Deposit date: | 2018-07-16 | Release date: | 2018-12-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Ankyrin-G regulates forebrain connectivity and network synchronization via interaction with GABARAP. Mol. Psychiatry, 2018
|
|
3V8K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3v8k by Molmil](/molmil-images/mine/3v8k) | |
3E37
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3e37 by Molmil](/molmil-images/mine/3e37) | |
3E27
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3e27 by Molmil](/molmil-images/mine/3e27) | |
3E32
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3e32 by Molmil](/molmil-images/mine/3e32) | Protein farnesyltransferase complexed with FPP and ethylenediamine scaffold inhibitor 2 | Descriptor: | FARNESYL DIPHOSPHATE, N-benzyl-N-(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-1H-imidazole-4-sulfonamide, Protein farnesyltransferase subunit beta, ... | Authors: | Hast, M.A, Beese, L.S. | Deposit date: | 2008-08-06 | Release date: | 2009-03-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural basis for binding and selectivity of antimalarial and anticancer ethylenediamine inhibitors to protein farnesyltransferase. Chem.Biol., 16, 2009
|
|
3V7R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3v7r by Molmil](/molmil-images/mine/3v7r) | Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor | Descriptor: | (3aS,4S,6aR)-4-(5-{1-[4-(6-amino-9H-purin-9-yl)butyl]-1H-1,2,3-triazol-4-yl}pentyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one, Biotin ligase | Authors: | Yap, M.Y, Pendini, N.R. | Deposit date: | 2011-12-21 | Release date: | 2012-12-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Selective inhibition of biotin protein ligase from Staphylococcus aureus. J.Biol.Chem., 287, 2012
|
|
3V8L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3v8l by Molmil](/molmil-images/mine/3v8l) | |
3VVR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vvr by Molmil](/molmil-images/mine/3vvr) | Crystal structure of MATE in complex with MaD5 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Putative uncharacterized protein, macrocyclic peptide | Authors: | Tanaka, Y, Ishitani, R, Nureki, O. | Deposit date: | 2012-07-27 | Release date: | 2013-04-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for the drug extrusion mechanism by a MATE multidrug transporter. Nature, 496, 2013
|
|
3E30
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3e30 by Molmil](/molmil-images/mine/3e30) | Protein farnesyltransferase complexed with FPP and ethylene diamine inhibitor 4 | Descriptor: | FARNESYL DIPHOSPHATE, Protein farnesyltransferase subunit beta, Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha, ... | Authors: | Hast, M.A, Beese, L.S. | Deposit date: | 2008-08-06 | Release date: | 2009-03-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural basis for binding and selectivity of antimalarial and anticancer ethylenediamine inhibitors to protein farnesyltransferase. Chem.Biol., 16, 2009
|
|
3VUV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vuv by Molmil](/molmil-images/mine/3vuv) | Crystal structure of the merozoite surface protein MSPDBL2 from P. falciparum bound to zinc | Descriptor: | Erythrocyte membrane protein, putative, ZINC ION | Authors: | Czabotar, P.E, Hodder, A.N, Clarke, O.B, Lin, C.S, Smith, B.J, Cowman, A.F. | Deposit date: | 2012-07-09 | Release date: | 2012-08-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.114 Å) | Cite: | Insights into Duffy binding-like domains through the crystal structure and function of the merozoite surface protein MSPDBL2 from Plasmodium falciparum J.Biol.Chem., 287, 2012
|
|
3VVS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vvs by Molmil](/molmil-images/mine/3vvs) | Crystal structure of MATE in complex with MaD3S | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Putative uncharacterized protein, macrocyclic peptide | Authors: | Tanaka, Y, Ishitani, R, Nureki, O. | Deposit date: | 2012-07-27 | Release date: | 2013-04-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for the drug extrusion mechanism by a MATE multidrug transporter. Nature, 496, 2013
|
|
3VVO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vvo by Molmil](/molmil-images/mine/3vvo) | |
3VVN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vvn by Molmil](/molmil-images/mine/3vvn) | |
3VUU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vuu by Molmil](/molmil-images/mine/3vuu) | Crystal structure of the merozoite surface protein MSPDBL2 from P. falciparum | Descriptor: | CHLORIDE ION, Erythrocyte membrane protein, putative | Authors: | Czabotar, P.E, Hodder, A.N, Clarke, O.B, Lin, C.S, Smith, B.J, Cowman, A.F. | Deposit date: | 2012-07-09 | Release date: | 2012-08-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.093 Å) | Cite: | Insights into Duffy binding-like domains through the crystal structure and function of the merozoite surface protein MSPDBL2 from Plasmodium falciparum J.Biol.Chem., 287, 2012
|
|
6ATS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ats by Molmil](/molmil-images/mine/6ats) | |
6ATU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6atu by Molmil](/molmil-images/mine/6atu) | |
6AUP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6aup by Molmil](/molmil-images/mine/6aup) | Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox | Descriptor: | GLYCEROL, Potassium channel toxin gamma-KTx 2.2, SULFATE ION | Authors: | Gewe, M.M, Rupert, P, Strong, R.K. | Deposit date: | 2017-09-01 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Screening, large-scale production and structure-based classification of cystine-dense peptides. Nat. Struct. Mol. Biol., 25, 2018
|
|
3WOY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3woy by Molmil](/molmil-images/mine/3woy) | Crystal structure of CLASP2 TOG domain (TOG2) | Descriptor: | CLIP-associating protein 2 | Authors: | Hayashi, I, Maki, T. | Deposit date: | 2014-01-06 | Release date: | 2015-05-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | CLASP2 Has Two Distinct TOG Domains That Contribute Differently to Microtubule Dynamics J. Mol. Biol., 427, 2015
|
|