6EXQ
| Crystal Structure of Rhodesain in complex with a Macrolactam Inhibitor | Descriptor: | (3~{S})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-8-methoxy-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide, 1,2-ETHANEDIOL, Cysteine protease | Authors: | Dietzel, U, Kisker, C. | Deposit date: | 2017-11-08 | Release date: | 2018-04-11 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors. J. Med. Chem., 61, 2018
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6EYC
| Re-refinement of the MCM2-7 double hexamer using ISOLDE | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA replication licensing factor MCM2, DNA replication licensing factor MCM3, ... | Authors: | Croll, T.I. | Deposit date: | 2017-11-11 | Release date: | 2018-06-20 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | ISOLDE: a physically realistic environment for model building into low-resolution electron-density maps. Acta Crystallogr D Struct Biol, 74, 2018
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6C6H
| Structure of glycolipid aGSA[8,P5m] in complex with mouse CD1d | Descriptor: | (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(3-pentylphenyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)te trahydro-2H-pyran-2-yl]oxy}octanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Zajonc, D.M, Wang, J. | Deposit date: | 2018-01-18 | Release date: | 2019-01-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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6CJH
| Co-crystal structure of MNK2 in complex with an inhibitor | Descriptor: | 3-phenyl-5-(pyridin-4-yl)-1H-indazole, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | Authors: | Han, Q. | Deposit date: | 2018-02-26 | Release date: | 2018-05-09 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition. J. Med. Chem., 61, 2018
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6CJE
| Crystal Structure of Mnk2-D228G in complex with Inhibitor | Descriptor: | 4-[(9H-purin-6-yl)amino]benzamide, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | Authors: | Han, Q. | Deposit date: | 2018-02-26 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.36 Å) | Cite: | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition. J. Med. Chem., 61, 2018
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6CJ5
| Crystal Structure of Mnk2-D228G in Complex With Inhibitor | Descriptor: | 3-(pyridin-3-yl)imidazo[1,2-a]pyridine-8-carboxamide, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | Authors: | Han, Q. | Deposit date: | 2018-02-26 | Release date: | 2018-05-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition. J. Med. Chem., 61, 2018
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6CK3
| Co-crytsal Structure of MNK2 in Complex With an Inhibitor | Descriptor: | (3R)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1H-isoindol-1-one, CHLORIDE ION, MAP kinase-interacting serine/threonine-protein kinase 2, ... | Authors: | Han, Q. | Deposit date: | 2018-02-27 | Release date: | 2018-05-09 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition. J. Med. Chem., 61, 2018
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6CJW
| Crystal Structure of Mnk2-D228G in Complex With Inhibitor | Descriptor: | 3-(pyridin-4-yl)imidazo[1,2-b]pyridazine, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | Authors: | Han, Q. | Deposit date: | 2018-02-27 | Release date: | 2018-05-09 | Method: | X-RAY DIFFRACTION (3.38 Å) | Cite: | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition. J. Med. Chem., 61, 2018
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6CKI
| Co-crystal structure of MNK2 in Complex With Inhibitor | Descriptor: | 3,3-dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | Authors: | Han, Q. | Deposit date: | 2018-02-28 | Release date: | 2018-05-09 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition. J. Med. Chem., 61, 2018
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5ZHV
| Crystal structure of the PadR-family transcriptional regulator Rv3488 of Mycobacterium tuberculosis H37Rv in complex with zinc ion | Descriptor: | Transcriptional regulator, ZINC ION | Authors: | Meera, K, Pal, R.K, Arora, A, Biswal, B.K. | Deposit date: | 2018-03-13 | Release date: | 2018-10-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and functional characterization of the transcriptional regulator Rv3488 ofMycobacterium tuberculosisH37Rv. Biochem. J., 475, 2018
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6CXE
| Structure of alpha-GSA[26,6P] bound by CD1d and in complex with the Va14Vb8.2 TCR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Wang, J, Zajonc, D. | Deposit date: | 2018-04-02 | Release date: | 2019-04-10 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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6CYW
| Structure of sphingomyelin in complex with mouse CD1d | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Zajonc, D.M, Wang, J. | Deposit date: | 2018-04-06 | Release date: | 2019-04-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Control of CD1d-restricted antigen presentation and inflammation by sphingomyelin. Nat.Immunol., 20, 2019
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6D8Z
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5ZVJ
| Crystal structure of HtrA1 from Mycobacterium tuberculosis | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Serine protease | Authors: | Khundrakpam, H.S, Yadav, S, Kumar, D, Biswal, B.K. | Deposit date: | 2018-05-10 | Release date: | 2018-09-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The crystal structure of an essential high-temperature requirement protein HtrA1 (Rv1223) from Mycobacterium tuberculosis reveals its unique features. Acta Crystallogr D Struct Biol, 74, 2018
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6H5H
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6HIL
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6HIK
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6N4N
| Crystal structure of the designed protein DNCR2/danoprevir/NS3a complex | Descriptor: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, NS3 protease, Rosetta-designed danoprevir/NS3a complex reader 2, ... | Authors: | Wang, Z, Foight, G.W, Baker, D, Maly, D.J. | Deposit date: | 2018-11-19 | Release date: | 2019-09-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Multi-input chemical control of protein dimerization for programming graded cellular responses. Nat.Biotechnol., 37, 2019
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6QRJ
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6QRL
| Crystal structure of ShkA _Rec1 in complex with c-di-GMP | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Hybrid kinase, SULFATE ION | Authors: | Dubey, B.N, Schirmer, T. | Deposit date: | 2019-02-19 | Release date: | 2020-01-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Hybrid histidine kinase activation by cyclic di-GMP-mediated domain liberation. Proc.Natl.Acad.Sci.USA, 117, 2020
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6O6H
| RIAM cc-RA-PH structure in the P21212 space group | Descriptor: | Amyloid beta A4 precursor protein-binding family B member 1-interacting protein | Authors: | Wu, J. | Deposit date: | 2019-03-06 | Release date: | 2020-09-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Phosphorylation of RIAM by Src Promotes Integrin Activation by Unmasking the PH Domain of RIAM. Structure, 2020
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6QZS
| 14-3-3 sigma in complex with FOXO1 pS256 peptide | Descriptor: | 14-3-3 protein sigma, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FOXO1 pS256 site, ... | Authors: | Ottmann, C, Wolter, M, Lau, R.A. | Deposit date: | 2019-03-12 | Release date: | 2019-07-31 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | AMPK and AKT protein kinases hierarchically phosphorylate the N-terminus of the FOXO1 transcription factor, modulating interactions with 14-3-3 proteins. J.Biol.Chem., 294, 2019
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6QZR
| 14-3-3 sigma in complex with FOXO1 pT24 peptide | Descriptor: | 14-3-3 protein sigma, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Forkhead box protein O1, ... | Authors: | Ottmann, C, Wolter, M, Lau, R.A. | Deposit date: | 2019-03-12 | Release date: | 2019-07-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | AMPK and AKT protein kinases hierarchically phosphorylate the N-terminus of the FOXO1 transcription factor, modulating interactions with 14-3-3 proteins. J.Biol.Chem., 294, 2019
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6R8H
| Triosephosphate isomerase from liver fluke (Fasciola hepatica). | Descriptor: | SULFATE ION, Triosephosphate isomerase | Authors: | Ferraro, F, Corvo, I, Bergalli, L, Ilarraz, A, Cabrera, M, Gil, J, Susuki, B, Caffrey, C, Timson, D.J, Robert, X, Guillon, C, Alvarez, G. | Deposit date: | 2019-04-01 | Release date: | 2020-02-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Novel and selective inactivators of Triosephosphate isomerase with anti-trematode activity. Sci Rep, 10, 2020
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6OLU
| RIAM RA-PH core structure in the P212121 space group | Descriptor: | Amyloid beta A4 precursor protein-binding family B member 1-interacting protein | Authors: | Wu, J. | Deposit date: | 2019-04-17 | Release date: | 2020-04-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Phosphorylation of RIAM by src promotes integrin activation by unmasking the PH domain of RIAM. Structure, 29, 2021
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