7SUI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sui by Molmil](/molmil-images/mine/7sui) | Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 22 | Descriptor: | (3R,4R)-4-{(3S,4S)-4-[6-chloro-2-({5-chloro-1-[(1R)-2,2-difluorocyclopropyl]-1H-pyrazol-4-yl}amino)quinazolin-7-yl]-3-fluoropiperidin-1-yl}oxolan-3-ol, Serine/threonine-protein kinase Chk1 | Authors: | Palte, R.L. | Deposit date: | 2021-11-17 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.119 Å) | Cite: | Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors. J.Med.Chem., 65, 2022
|
|
7T4M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7t4m by Molmil](/molmil-images/mine/7t4m) | Structure of dodecameric unphosphorylated Pediculus humanus (Ph) PINK1 D357A mutant | Descriptor: | Serine/threonine-protein kinase PINK1, putative | Authors: | Gan, Z.Y, Leis, A, Dewson, G, Glukhova, A, Komander, D. | Deposit date: | 2021-12-10 | Release date: | 2022-01-12 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.48 Å) | Cite: | Activation mechanism of PINK1. Nature, 602, 2022
|
|
7SUG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sug by Molmil](/molmil-images/mine/7sug) | Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 09 | Descriptor: | 1,2-ETHANEDIOL, 1-(2-{[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile, Serine/threonine-protein kinase Chk1 | Authors: | Palte, R.L. | Deposit date: | 2021-11-17 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors. J.Med.Chem., 65, 2022
|
|
7STZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7stz by Molmil](/molmil-images/mine/7stz) | |
7STA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sta by Molmil](/molmil-images/mine/7sta) | |
4RDU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rdu by Molmil](/molmil-images/mine/4rdu) | |
4RBO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rbo by Molmil](/molmil-images/mine/4rbo) | |
4WA3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wa3 by Molmil](/molmil-images/mine/4wa3) | The crystal structure of neuraminidase from a H3N8 influenza virus isolated from New England harbor seals | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NICKEL (II) ION, ... | Authors: | Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J. | Deposit date: | 2014-08-28 | Release date: | 2015-01-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals. J.Virol., 89, 2015
|
|
4WB6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wb6 by Molmil](/molmil-images/mine/4wb6) | Crystal structure of a L205R mutant of human cAMP-dependent protein kinase A (catalytic alpha subunit) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PKI (5-24), ... | Authors: | Cheung, J, Ginter, C, Cassidy, M, Franklin, M.C, Rudolph, M.J, Hendrickson, W.A. | Deposit date: | 2014-09-02 | Release date: | 2015-01-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural insights into mis-regulation of protein kinase A in human tumors. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
4UYM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uym by Molmil](/molmil-images/mine/4uym) | |
4W4Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w4y by Molmil](/molmil-images/mine/4w4y) | JNK2/3 in complex with 3-(4-{[(4-methylphenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide | Descriptor: | 3-(4-{[(4-methylphenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide, c-jun NH2-terminal kinase 3 | Authors: | Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P. | Deposit date: | 2014-08-15 | Release date: | 2015-02-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles. Sci Rep, 5, 2015
|
|
4USF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4usf by Molmil](/molmil-images/mine/4usf) | Human SLK with SB-440719 | Descriptor: | 4-[4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]pyridine, STE20-LIKE SERINE/THREONINE-PROTEIN KINASE | Authors: | Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Bountra, C, Edwards, A.M, Knapp, S. | Deposit date: | 2014-07-07 | Release date: | 2015-07-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Comprehensive Characterization of the Published Kinase Inhibitor Set. Nat.Biotechnol., 34, 2016
|
|
4UY9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uy9 by Molmil](/molmil-images/mine/4uy9) | Structure of MLK1 kinase domain with leucine zipper 1 | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 9 | Authors: | Read, J.A, Brassington, C, Pollard, H.K, Phillips, C, Green, I, Overmann, R, Collier, M. | Deposit date: | 2014-08-29 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Recurrent Mlk4 Loss-of-Function Mutations Suppress Jnk Signaling to Promote Colon Tumorigenesis. Cancer Res., 76, 2016
|
|
4UYN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uyn by Molmil](/molmil-images/mine/4uyn) | SAR156497 an exquisitely selective inhibitor of Aurora kinases | Descriptor: | AURORA KINASE A, ethyl (9S)-9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate | Authors: | Carry, J.C, Clerc, F, Minoux, H, Schio, L, Mauger, J, Nair, A, Parmantier, E, Lemoigne, R, Delorme, C, Nicolas, J.P, Krick, A, Abecassis, P.Y, Crocq-Stuerga, V, Pouzieux, S, Delarbre, L, Maignan, S, Bertrand, T, Bjergarde, K, Ma, N, Lachaud, S, Guizani, H, Lebel, R, Doerflinger, G, Monget, S, Perron, S, Gasse, F, Angouillant-Boniface, O, Filoche-Romme, B, Murer, M, Gontier, S, Prevost, C, Monteiro, M.L, Combeau, C. | Deposit date: | 2014-09-02 | Release date: | 2014-11-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Sar156497, an Exquisitely Selective Inhibitor of Aurora Kinases. J.Med.Chem., 58, 2015
|
|
4W94
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w94 by Molmil](/molmil-images/mine/4w94) | Crystal structure of cross-linked tetragonal hen egg white lysozyme soaked with 5mM [Ru(CO)3Cl2]2 | Descriptor: | CHLORIDE ION, DIMETHYLFORMAMIDE, Lysozyme C, ... | Authors: | Tabe, H, Fujita, K, Abe, S, Tsujimoto, M, Kuchimaru, T, Kizaka-Kondo, S, Takano, M, Kitagawa, S, Ueno, T. | Deposit date: | 2014-08-27 | Release date: | 2014-12-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Preparation of a Cross-Linked Porous Protein Crystal Containing Ru Carbonyl Complexes as a CO-Releasing Extracellular Scaffold Inorg.Chem., 54, 2015
|
|
4W9W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w9w by Molmil](/molmil-images/mine/4w9w) | Crystal Structure of BMP-2-inducible kinase in complex with small molecule AZD-7762 | Descriptor: | 1,2-ETHANEDIOL, 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, BMP-2-inducible protein kinase | Authors: | Sorrell, F.J, Elkins, J.M, Krojer, T, Savitsky, P, Williams, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-08-28 | Release date: | 2014-09-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Family-wide Structural Analysis of Human Numb-Associated Protein Kinases. Structure, 24, 2016
|
|
4WCH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wch by Molmil](/molmil-images/mine/4wch) | Structure of Isolated D Chain of Gigant Hemoglobin from Glossoscolex paulistus | Descriptor: | Isolated Chain D of Gigant Hemoglobin from Glossoscolex Paulistus, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Bachega, J.F.R, Maluf, F.V, Pereira, H.M, Brandao-Neto, J, Tabak, M, Garratt, R.C, Horjales, E. | Deposit date: | 2014-09-04 | Release date: | 2015-06-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The structure of the giant haemoglobin from Glossoscolex paulistus. Acta Crystallogr.,Sect.D, 71, 2015
|
|
4W4W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w4w by Molmil](/molmil-images/mine/4w4w) | JNK2/3 in complex with N-(2-methylpyridin-4-yl)-3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide | Descriptor: | N-(2-methylpyridin-4-yl)-3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide, c-Jun N-terminal kinase 3 | Authors: | Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P. | Deposit date: | 2014-08-15 | Release date: | 2015-02-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles. Sci Rep, 5, 2015
|
|
4W92
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w92 by Molmil](/molmil-images/mine/4w92) | Crystal structure of Bacillus subtilis cyclic-di-AMP riboswitch ydaO | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, 1,2-ETHANEDIOL, C-di-AMP ribsoswitch, ... | Authors: | Jones, C.P, Ferre-D'Amare, A.R. | Deposit date: | 2014-08-26 | Release date: | 2014-10-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.209 Å) | Cite: | Crystal structure of a c-di-AMP riboswitch reveals an internally pseudo-dimeric RNA. Embo J., 33, 2014
|
|
4W9B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w9b by Molmil](/molmil-images/mine/4w9b) | Crystal structure of Gamma-B Crystallin expressed in E. coli based on mRNA variant 1 | Descriptor: | Gamma-crystallin B | Authors: | Kudlinzki, D, Buhr, F, Linhard, V.L, Jha, S, Komar, A.A, Schwalbe, H. | Deposit date: | 2014-08-27 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.279 Å) | Cite: | Two synonymous gene variants encode proteins with identical sequence, but different folding conformations. To Be Published
|
|
4WAN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wan by Molmil](/molmil-images/mine/4wan) | Crystal structure of Msl5 protein in complex with RNA at 1.8 A | Descriptor: | ACETATE ION, Branchpoint-bridging protein, GLYCEROL, ... | Authors: | Jacewicz, A, Smith, P, Chico, L, Schwer, B, Shuman, S. | Deposit date: | 2014-08-29 | Release date: | 2014-12-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for recognition of intron branchpoint RNA by yeast Msl5 and selective effects of interfacial mutations on splicing of yeast pre-mRNAs. Rna, 21, 2015
|
|
4WA7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wa7 by Molmil](/molmil-images/mine/4wa7) | Crystal Structure of a GDP-bound Q61L Oncogenic Mutant of Human GT- Pase KRas | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Hunter, J.C, Manandhar, A, Gurbani, D, Chen, Z, Westover, K.D. | Deposit date: | 2014-08-28 | Release date: | 2015-06-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.986 Å) | Cite: | Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations. Mol Cancer Res., 13, 2015
|
|
4WAL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wal by Molmil](/molmil-images/mine/4wal) | Crystal structure of selenomethionine Msl5 protein in complex with RNA at 2.2 A | Descriptor: | Branchpoint-bridging protein, CHLORIDE ION, GLYCEROL, ... | Authors: | Jacewicz, A, Smith, P, Chico, L, Schwer, B, Shuman, S. | Deposit date: | 2014-08-29 | Release date: | 2014-12-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for recognition of intron branchpoint RNA by yeast Msl5 and selective effects of interfacial mutations on splicing of yeast pre-mRNAs. Rna, 21, 2015
|
|
4WB5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wb5 by Molmil](/molmil-images/mine/4wb5) | Crystal structure of human cAMP-dependent protein kinase A (catalytic alpha subunit) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PKI (5-24), ... | Authors: | Cheung, J, Ginter, C, Cassidy, M, Franklin, M.C, Rudolph, M.J, Hendrickson, W.A. | Deposit date: | 2014-09-02 | Release date: | 2015-01-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.641 Å) | Cite: | Structural insights into mis-regulation of protein kinase A in human tumors. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
4W9X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w9x by Molmil](/molmil-images/mine/4w9x) | Crystal Structure of BMP-2-inducible kinase in complex with baricitinib | Descriptor: | 1,2-ETHANEDIOL, BMP-2-inducible protein kinase, Baricitinib | Authors: | Sorrell, F.J, Elkins, J.M, Krojer, T, Williams, E, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-08-28 | Release date: | 2014-09-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Family-wide Structural Analysis of Human Numb-Associated Protein Kinases. Structure, 24, 2016
|
|