7ZKR
| Human GABARAP in complex with stapled peptide Pen3-ortho | Descriptor: | CHLORIDE ION, Gamma-aminobutyric acid receptor-associated protein, ORTHO-XYLENE, ... | Authors: | Ueffing, A, Brown, H, Willbold, D, Kritzer, J.A, Weiergraeber, O.H. | Deposit date: | 2022-04-13 | Release date: | 2022-08-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structure-Based Design of Stapled Peptides That Bind GABARAP and Inhibit Autophagy. J.Am.Chem.Soc., 144, 2022
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7ZL7
| Human GABARAP in complex with stapled peptide Pen8-ortho | Descriptor: | CHLORIDE ION, Gamma-aminobutyric acid receptor-associated protein, ORTHO-XYLENE, ... | Authors: | Ueffing, A, Brown, H, Willbold, D, Kritzer, J.A, Weiergraeber, O.H. | Deposit date: | 2022-04-14 | Release date: | 2022-08-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-Based Design of Stapled Peptides That Bind GABARAP and Inhibit Autophagy. J.Am.Chem.Soc., 144, 2022
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5DLS
| Identification of Novel, in vivo Active Chk1 Inhibitors Utilizing Structure Guided Drug Design | Descriptor: | 1-benzyl-N-(5-{5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-indol-2-yl}-6-oxo-1,6-dihydropyridin-3-yl)-1H-pyrazole-4-carboxamide, SULFATE ION, Serine/threonine-protein kinase Chk1 | Authors: | Massey, A.J, Stokes, S, Browne, H, Foloppe, N, Fiumana, A, Scrace, S, Fallowfield, M, Bedford, S, Webb, P, Baker, L.M, Christie, M, Drysdale, M.J, Wood, M. | Deposit date: | 2015-09-07 | Release date: | 2015-10-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Identification of novel, in vivo active Chk1 inhibitors utilizing structure guided drug design. Oncotarget, 6, 2015
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4FCR
| Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization | Descriptor: | 2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide, Heat shock protein HSP 90-alpha | Authors: | Davies, N.G, Browne, H, Davis, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M.J, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P. | Deposit date: | 2012-05-25 | Release date: | 2012-10-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization. Bioorg.Med.Chem., 20, 2012
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4FCQ
| Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization | Descriptor: | 4-(2,4-dimethylphenyl)-2-(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Heat shock protein HSP 90-alpha | Authors: | Davies, N.G, Browne, H, Davis, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M.J, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P. | Deposit date: | 2012-05-25 | Release date: | 2012-10-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization. Bioorg.Med.Chem., 20, 2012
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4FCP
| Targetting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo [2,3-d] pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization | Descriptor: | Heat shock protein HSP 90-alpha, N,N-dimethyl-7H-purin-6-amine | Authors: | Davies, N.G.M, Browne, H, Davies, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P. | Deposit date: | 2012-05-25 | Release date: | 2012-10-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization. Bioorg.Med.Chem., 20, 2012
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7P8K
| Crystal structure of in planta processed AvrRps4 in complex with the WRKY domain of RRS1 | Descriptor: | Avirulence protein,Avirulence protein, Disease resistance protein RRS1, ZINC ION | Authors: | Mukhi, N, Brown, H, Gorenkin, D, Ding, P, Bentham, A.R, Jones, J.D.G, Banfield, M.J. | Deposit date: | 2021-07-23 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Perception of structurally distinct effectors by the integrated WRKY domain of a plant immune receptor. Proc.Natl.Acad.Sci.USA, 118, 2021
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3JCT
| Cryo-em structure of eukaryotic pre-60S ribosomal subunits | Descriptor: | 60S ribosomal protein L11-A, 60S ribosomal protein L13-A, 60S ribosomal protein L14-A, ... | Authors: | Wu, S, Kumcuoglu, B, Yan, K.G, Brown, H, Zhang, Y.X, Tan, D, Gamalinda, M, Yuan, Y, Li, Z.F, Jakovljevic, J, Ma, C.Y, Lei, J.L, Dong, M.Q, Woolford Jr, J.L, Gao, N. | Deposit date: | 2016-03-09 | Release date: | 2016-06-01 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Diverse roles of assembly factors revealed by structures of late nuclear pre-60S ribosomes Nature, 534, 2016
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2J6E
| Crystal Structure of an Autoimmune Complex between a Human IgM Rheumatoid Factor and IgG1 Fc reveals a Novel Fc Epitope and Evidence for Affinity Maturation | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CACODYLATE ION, ... | Authors: | Duquerroy, S, Stura, E.A, Bressanelli, S, Browne, H, Beale, D, Hamon, M, Casali, P, Vaney, M.C, Rey, F.A, Sutton, B.J, Taussig, M.J. | Deposit date: | 2006-09-28 | Release date: | 2007-04-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of a human autoimmune complex between IgM rheumatoid factor RF61 and IgG1 Fc reveals a novel epitope and evidence for affinity maturation. J.Mol.Biol., 368, 2007
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7R4K
| Crystal structure of human mitochondrial NAD kinase | Descriptor: | MAGNESIUM ION, NAD kinase 2, mitochondrial, ... | Authors: | Labesse, G, Mary, C, Gelin, M, Lionne, C. | Deposit date: | 2022-02-08 | Release date: | 2022-07-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.33 Å) | Cite: | Crystal structure of human NADK2 reveals a dimeric organization and active site occlusion by lysine acetylation. Mol.Cell, 82, 2022
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7R4J
| Crystal structure of human mitochondrial NAD kinase | Descriptor: | CALCIUM ION, NAD kinase 2, mitochondrial | Authors: | Labesse, G, Mary, C, Gelin, M, Lionne, C. | Deposit date: | 2022-02-08 | Release date: | 2022-07-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal structure of human NADK2 reveals a dimeric organization and active site occlusion by lysine acetylation. Mol.Cell, 82, 2022
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7R4M
| Crystal structure of mitochondrial NAD kinase | Descriptor: | CALCIUM ION, NAD kinase 2, mitochondrial, ... | Authors: | Labesse, G, Mary, C, Gelin, M, Lionne, C. | Deposit date: | 2022-02-08 | Release date: | 2022-07-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Crystal structure of human NADK2 reveals a dimeric organization and active site occlusion by lysine acetylation. Mol.Cell, 82, 2022
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7R4L
| Crystal structure of human mitochondrial NAD kinase | Descriptor: | FE (III) ION, NAD kinase 2, mitochondrial, ... | Authors: | Labesse, G, Mary, C, Gelin, M, Lionne, C. | Deposit date: | 2022-02-08 | Release date: | 2022-07-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of human NADK2 reveals a dimeric organization and active site occlusion by lysine acetylation. Mol.Cell, 82, 2022
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4WNM
| SYK catalytic domain in complex with a potent triazolopyridine inhibitor | Descriptor: | N~3~-(tetrahydro-2H-pyran-4-yl)-N~6~-[5-(tetrahydro-2H-pyran-4-ylmethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indazole-3,6-diamine, SULFATE ION, Tyrosine-protein kinase SYK | Authors: | Jackson, P.J. | Deposit date: | 2014-10-13 | Release date: | 2016-01-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Novel Triazolopyridine-Based Spleen Tyrosine Kinase Inhibitor That Arrests Joint Inflammation. Plos One, 11, 2016
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