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7ZL7
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BU of 7zl7 by Molmil
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
7ZKR
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BU of 7zkr by Molmil
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
7P8K
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BU of 7p8k by Molmil
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
4FCR
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BU of 4fcr by Molmil
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
4FCQ
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BU of 4fcq by Molmil
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
4FCP
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BU of 4fcp by Molmil
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
3JCT
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BU of 3jct by Molmil
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
5DLS
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BU of 5dls by Molmil
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
7R4J
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BU of 7r4j by Molmil
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:2022-09-14
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
7R4L
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BU of 7r4l by Molmil
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:2022-09-14
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
7R4K
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BU of 7r4k by Molmil
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:2022-09-14
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
7R4M
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BU of 7r4m by Molmil
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:2022-09-14
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
4WNM
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BU of 4wnm by Molmil
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
2J6E
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BU of 2j6e by Molmil
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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