4CO6
 
 | | Crystal structure of the Nipah virus RNA free nucleoprotein- phosphoprotein complex | | Descriptor: | BROMIDE ION, CHLORIDE ION, NUCLEOPROTEIN, ... | | Authors: | Yabukarksi, F, Lawrence, P, Tarbouriech, N, Bourhis, J.M, Jensen, M.R, Ruigrok, R.W.H, Blackledge, M, Volchkov, V, Jamin, M. | | Deposit date: | 2014-01-27 | | Release date: | 2014-08-13 | | Last modified: | 2014-09-17 | | Method: | X-RAY DIFFRACTION (2.498 Å) | | Cite: | Structure of Nipah Virus Unassembled Nucleoprotein in Complex with its Viral Chaperone.
Nat.Struct.Mol.Biol., 21, 2014
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6TRI
 | | CI-MOR repressor-antirepressor complex of the temperate bacteriophage TP901-1 from Lactococcus lactis | | Descriptor: | CI, MOR, SULFATE ION | | Authors: | Rasmussen, K.K, Blackledge, M, Herrmann, T, Jensen, M.R, Lo Leggio, L. | | Deposit date: | 2019-12-18 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.277 Å) | | Cite: | Revealing the mechanism of repressor inactivation during switching of a temperate bacteriophage.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6TO6
 | | Solution structure of the modulator of repression (MOR) of the temperate bacteriophage TP901-1 from Lactococcus lactis | | Descriptor: | MOR | | Authors: | Rasmussen, K.K, Blackledge, M, Herrmann, T, Lo Leggio, L, Jensen, M.R. | | Deposit date: | 2019-12-11 | | Release date: | 2020-08-19 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Revealing the mechanism of repressor inactivation during switching of a temperate bacteriophage.
Proc.Natl.Acad.Sci.USA, 117, 2020
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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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7LTE
 | | Structure of the alpha-N-methyltransferase (SonM) and RiPP precursor (SonA) heteromeric complex (with SAH) | | Descriptor: | LigA domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE, TP-methylase family protein | | Authors: | Miller, F.S, Crone, K.K, Jensen, M.R, Shaw, S, Harcombe, W.R, Elias, M, Freeman, M.F. | | Deposit date: | 2021-02-19 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformational rearrangements enable iterative backbone N-methylation in RiPP biosynthesis.
Nat Commun, 12, 2021
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7LTC
 | | Structure of the alpha-N-methyltransferase (SonM) and RiPP precursor (SonA) heteromeric complex (no cofactor) | | Descriptor: | LigA domain-containing protein, TP-methylase family protein | | Authors: | Miller, F.S, Crone, K.K, Jensen, M.R, Shaw, S, Harcombe, W.R, Elias, M, Freeman, M.F. | | Deposit date: | 2021-02-19 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformational rearrangements enable iterative backbone N-methylation in RiPP biosynthesis.
Nat Commun, 12, 2021
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7LTF
 | | Structure of the alpha-N-methyltransferase (SonM mutant Y58F) and RiPP precursor (SonA) heteromeric complex (no cofactor) | | Descriptor: | LigA domain-containing protein, TP-methylase family protein | | Authors: | Miller, F.S, Crone, K.K, Jensen, M.R, Shaw, S, Harcombe, W.R, Elias, M, Freeman, M.F. | | Deposit date: | 2021-02-19 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Conformational rearrangements enable iterative backbone N-methylation in RiPP biosynthesis.
Nat Commun, 12, 2021
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7LTR
 | | Structure of the heteromeric complex between the alpha-N-methyltransferase (SonM) and a truncated construct of the RiPP precursor (SonA) (with SAM) | | Descriptor: | GLYCEROL, LigA domain-containing protein, S-ADENOSYLMETHIONINE, ... | | Authors: | Miller, F.S, Crone, K.K, Jensen, M.R, Shaw, S, Harcombe, W.R, Elias, M, Freeman, M.F. | | Deposit date: | 2021-02-19 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Conformational rearrangements enable iterative backbone N-methylation in RiPP biosynthesis.
Nat Commun, 12, 2021
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7LTH
 | | Structure of the alpha-N-methyltransferase (SonM mutant Y93F) and RiPP precursor (SonA) heteromeric complex (no cofactor) | | Descriptor: | LigA domain-containing protein, TP-methylase family protein | | Authors: | Miller, F.S, Crone, K.K, Jensen, M.R, Shaw, S, Harcombe, W.R, Elias, M, Freeman, M.F. | | Deposit date: | 2021-02-19 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Conformational rearrangements enable iterative backbone N-methylation in RiPP biosynthesis.
Nat Commun, 12, 2021
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7LTS
 | | Structure of the alpha-N-methyltransferase (SonM mutant R67A) and RiPP precursor (SonA) heteromeric complex (with SAH) | | Descriptor: | LigA domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE, TP-methylase family protein | | Authors: | Miller, F.S, Crone, K.K, Jensen, M.R, Shaw, S, Harcombe, W.R, Elias, M, Freeman, M.F. | | Deposit date: | 2021-02-20 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Conformational rearrangements enable iterative backbone N-methylation in RiPP biosynthesis.
Nat Commun, 12, 2021
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3L4O
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3L4M
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3SVW
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3SJL
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3RMZ
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3ORV
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3RN0
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4UX9
 | | Crystal structure of JNK1 bound to a MKK7 docking motif | | Descriptor: | DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 7, MITOGEN-ACTIVATED PROTEIN KINASE 8, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Kragelj, J, Palencia, A, Nanao, M.H, Maurin, D, Bouvignies, G, Blackledge, M, Ringkjobing-Jensen, M. | | Deposit date: | 2014-08-20 | | Release date: | 2015-03-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structure and Dynamics of the Mkk7-Jnk Signaling Complex.
Proc.Natl.Acad.Sci.USA, 112, 2015
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2WI1
 | | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | | Descriptor: | 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION | | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | | Deposit date: | 2009-05-08 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
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2WI6
 | | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | | Descriptor: | 2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE, HEAT SHOCK PROTEIN, HSP90-ALPHA | | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | | Deposit date: | 2009-05-08 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
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2WI5
 | | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | | Descriptor: | 3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | | Deposit date: | 2009-05-08 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
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2WI3
 | | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | | Descriptor: | 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE, HEAT SHOCK PROTEIN, HSP 90-ALPHA, ... | | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | | Deposit date: | 2009-05-08 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
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2WI7
 | | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | | Descriptor: | 2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | | Deposit date: | 2009-05-08 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
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