6T7V
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![BU of 6t7v by Molmil](/molmil-images/mine/6t7v) | KEAP1 IN COMPLEX WITH PEPTIDE 8 | Descriptor: | ACETATE ION, Kelch-like ECH-associated protein 1, LEU-ASP-PRO-GLU-THR-GLY-GLU-PHE-LEU | Authors: | Colarusso, S. | Deposit date: | 2019-10-23 | Release date: | 2020-09-09 | Last modified: | 2020-10-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Optimization of linear and cyclic peptide inhibitors of KEAP1-NRF2 protein-protein interaction. Bioorg.Med.Chem., 28, 2020
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8PI1
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![BU of 8pi1 by Molmil](/molmil-images/mine/8pi1) | Bicyclic INCYPRO Pseudomonas fluorescens esterase | Descriptor: | Arylesterase, GLYCEROL, N-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide | Authors: | Kiehstaller, S, Pearce, N.M, Grossmann, T.N, Hennig, S. | Deposit date: | 2023-06-20 | Release date: | 2023-11-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Covalent bicyclization of protein complexes yields durable quaternary structures. Chem, 10, 2024
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3HWN
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![BU of 3hwn by Molmil](/molmil-images/mine/3hwn) | CATHEPSIN L with AZ13010160 | Descriptor: | Cathepsin L1, Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2E)-2-iminoethyl]-3-{5-[(Z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-L-phenylalaninamide | Authors: | Kenny, P, Morley, A. | Deposit date: | 2009-06-18 | Release date: | 2009-09-15 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Design of selective Cathepsin inhibitors Bioorg.Med.Chem.Lett., 19, 2009
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5HAX
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![BU of 5hax by Molmil](/molmil-images/mine/5hax) | Crystal structure of Chaetomium thermophilum Nup170 NTD-Nup53 complex | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Nucleoporin NUP170, ... | Authors: | Lin, D.H, Mobbs, G, Hoelz, A. | Deposit date: | 2015-12-31 | Release date: | 2016-04-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Architecture of the symmetric core of the nuclear pore. Science, 352, 2016
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5HB6
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![BU of 5hb6 by Molmil](/molmil-images/mine/5hb6) | |
5HAY
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![BU of 5hay by Molmil](/molmil-images/mine/5hay) | |
5HB1
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![BU of 5hb1 by Molmil](/molmil-images/mine/5hb1) | |
5HB7
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![BU of 5hb7 by Molmil](/molmil-images/mine/5hb7) | |
5HB0
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![BU of 5hb0 by Molmil](/molmil-images/mine/5hb0) | |
5HB3
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![BU of 5hb3 by Molmil](/molmil-images/mine/5hb3) | |
5HB4
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![BU of 5hb4 by Molmil](/molmil-images/mine/5hb4) | |
5HAZ
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![BU of 5haz by Molmil](/molmil-images/mine/5haz) | Structure of Chaetomium thermophilum Nup170 CTD | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Nucleoporin NUP170, ... | Authors: | Lin, D.H, Hoelz, A. | Deposit date: | 2015-12-31 | Release date: | 2016-04-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Architecture of the symmetric core of the nuclear pore. Science, 352, 2016
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5HB8
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5HB5
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![BU of 5hb5 by Molmil](/molmil-images/mine/5hb5) | |
4BB4
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![BU of 4bb4 by Molmil](/molmil-images/mine/4bb4) | ephB4 kinase domain inhibitor complex | Descriptor: | EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide | Authors: | Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L. | Deposit date: | 2012-09-19 | Release date: | 2013-02-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery and Optimization of a Novel Series of Potent Mutant B-Raf V600E Selective Kinase Inhibitors. J.Med.Chem., 56, 2013
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8SWH
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![BU of 8swh by Molmil](/molmil-images/mine/8swh) | |
5E1E
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![BU of 5e1e by Molmil](/molmil-images/mine/5e1e) | Human JAK1 kinase in complex with compound 30 at 2.30 Angstroms resolution | Descriptor: | 6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-3H-imidazo[4,5-b]pyridin-7-amine, DI(HYDROXYETHYL)ETHER, Tyrosine-protein kinase JAK1 | Authors: | Ferguson, A.D. | Deposit date: | 2015-09-29 | Release date: | 2015-11-25 | Last modified: | 2015-12-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of azabenzimidazoles as potent JAK1 selective inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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6EWX
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![BU of 6ewx by Molmil](/molmil-images/mine/6ewx) | Structure of Pragmin pseudo-kinase reveals a dimerization mechanism to regulate protein tyrosine phosphorylation and nuclear transcription | Descriptor: | PEAK1-related kinase-activating pseudokinase 1, SULFATE ION | Authors: | Gelin, M, Allemand, F, Fournet, A, Labesse, G. | Deposit date: | 2017-11-06 | Release date: | 2018-01-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.771 Å) | Cite: | Dimerization of the Pragmin Pseudo-Kinase Regulates Protein Tyrosine Phosphorylation. Structure, 26, 2018
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8CHW
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8CHT
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![BU of 8cht by Molmil](/molmil-images/mine/8cht) | |
8CHV
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![BU of 8chv by Molmil](/molmil-images/mine/8chv) | |
8CHU
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![BU of 8chu by Molmil](/molmil-images/mine/8chu) | |
4GV1
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![BU of 4gv1 by Molmil](/molmil-images/mine/4gv1) | PKB alpha in complex with AZD5363 | Descriptor: | 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide, GLYCEROL, RAC-alpha serine/threonine-protein kinase | Authors: | Addie, M, Ballard, P, Bird, G, Buttar, D, Currie, G, Davies, B, Debreczeni, J, Dry, H, Dudley, P, Greenwood, R, Hatter, G, Jestel, A, Johnson, P.D, Kettle, J.G, Lane, C, Lamont, G, Leach, A, Luke, R.W.A, Ogilvie, D, Page, K, Pass, M, Steinbacher, S, Steuber, H, Pearson, S, Ruston, L. | Deposit date: | 2012-08-30 | Release date: | 2013-02-27 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Discovery of 4-Amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (AZD5363), an Orally Bioavailable, Potent Inhibitor of Akt Kinases. J.Med.Chem., 56, 2013
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8TL0
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2N8D
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![BU of 2n8d by Molmil](/molmil-images/mine/2n8d) | |