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7NZD
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BU of 7nzd by Molmil
Fourth SH3 domain of POSH (Plenty of SH3 Domains protein)
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase SH3RF1
Authors:Palencia, A, Bessa, L.M, Jensen, M.R.
Deposit date:2021-03-23
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
7NYN
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BU of 7nyn by Molmil
Mutant Y526A of SH3 domain of JNK-interacting Protein 1 (JIP1)
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ...
Authors:Perez, L.M, Ielasi, F.S, Palencia, A, Jensen, M.R.
Deposit date:2021-03-23
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.537 Å)
Cite:Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
7NZC
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BU of 7nzc by Molmil
First SH3 domain of POSH (Plenty of SH3 Domains protein)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase SH3RF1
Authors:Palencia, A, Bessa, L.M, Jensen, M.R.
Deposit date:2021-03-23
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.111 Å)
Cite:Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
6TO6
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BU of 6to6 by Molmil
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:2023-06-14
Method:SOLUTION NMR
Cite:Revealing the mechanism of repressor inactivation during switching of a temperate bacteriophage.
Proc.Natl.Acad.Sci.USA, 117, 2020
6TRI
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BU of 6tri by Molmil
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
4CO6
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BU of 4co6 by Molmil
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
2K6U
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BU of 2k6u by Molmil
The Solution Structure of a Conformationally Restricted Fully Active Derivative of the Human Relaxin-like Factor (RLF)
Descriptor: Insulin-like 3 A chain, Insulin-like 3 B chain
Authors:Bullesbach, E.E, Hass, M.A.S, Jensen, M.R, Hansen, D.F, Kristensen, S.M, Schwabe, C, Led, J.J.
Deposit date:2008-07-24
Release date:2008-12-16
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:Solution structure of a conformationally restricted fully active derivative of the human relaxin-like factor
Biochemistry, 47, 2008
2K6T
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BU of 2k6t by Molmil
Solution structure of the relaxin-like factor
Descriptor: Insulin-like 3 A chain, Insulin-like 3 B chain
Authors:Bullesbach, E.E, Hass, M.A.S, Jensen, M.R, Hansen, D.F, Kristensen, S.M, Schwabe, C, Led, J.J.
Deposit date:2008-07-23
Release date:2008-12-16
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Solution structure of a conformationally restricted fully active derivative of the human relaxin-like factor
Biochemistry, 47, 2008
4UX9
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BU of 4ux9 by Molmil
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
2WI3
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BU of 2wi3 by Molmil
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
2WI4
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BU of 2wi4 by Molmil
Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone
Descriptor: 4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-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 (2.4 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
2WI2
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BU of 2wi2 by Molmil
Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone
Descriptor: 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE, DIMETHYL SULFOXIDE, 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 (2.09 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
2WI5
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BU of 2wi5 by Molmil
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
2WI7
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BU of 2wi7 by Molmil
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
2WI6
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BU of 2wi6 by Molmil
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
2WI1
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BU of 2wi1 by Molmil
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
6H5S
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BU of 6h5s by Molmil
Cryo-EM map of in vitro assembled Measles virus N into nucleocapsid-like particles (NCLPs) bound to viral genomic 5-prime RNA hexamers.
Descriptor: Nucleocapsid, RNA (5'-R(*AP*CP*CP*AP*GP*A)-3')
Authors:Desfosses, A, Milles, S, Ringkjobing Jensen, M, Guseva, S, Colletier, J.P, Maurin, D, Schoehn, G, Gutsche, I, Ruigrok, R, Blackledge, M.
Deposit date:2018-07-25
Release date:2019-06-12
Last modified:2020-07-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Assembly and cryo-EM structures of RNA-specific measles virus nucleocapsids provide mechanistic insight into paramyxoviral replication.
Proc.Natl.Acad.Sci.USA, 116, 2019
6H5Q
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BU of 6h5q by Molmil
Cryo-EM structure of in vitro assembled Measles virus N into nucleocapsid-like particles (NCLPs) bound to polyA RNA hexamers.
Descriptor: Nucleocapsid, RNA (5'-R(*AP*AP*AP*AP*AP*A)-3')
Authors:Desfosses, A, Milles, S, Ringkjobing Jensen, M, Guseva, S, Colletier, J, Maurin, D, Schoehn, G, Gutsche, I, Ruigrok, R, Blackledge, M.
Deposit date:2018-07-25
Release date:2019-03-13
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Assembly and cryo-EM structures of RNA-specific measles virus nucleocapsids provide mechanistic insight into paramyxoviral replication.
Proc.Natl.Acad.Sci.USA, 116, 2019
7PKU
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BU of 7pku by Molmil
Structure of SARS-CoV-2 nucleoprotein in dynamic complex with its viral partner nsp3a
Descriptor: 3C-like proteinase, Nucleoprotein
Authors:Bessa, L.M, Guseva, S, Camacho-Zarco, A.R, Salvi, N, Blackledge, M.
Deposit date:2021-08-26
Release date:2022-01-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The intrinsically disordered SARS-CoV-2 nucleoprotein in dynamic complex with its viral partner nsp3a.
Sci Adv, 8, 2022
7PQK
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BU of 7pqk by Molmil
Co-Crystal Structure of M. tuberculosis LeuRS in Complex with the Adduct Formed by Prodrug Cmpd1 with Adenosine-monophosphate
Descriptor: (S)-3-(Aminomethyl)-4-chloro-7-(2-hydroxyethoxy)benzo[c][1,2]oxaborol-1(3H)-ol, 1,2-ETHANEDIOL, Leucine--tRNA ligase
Authors:Palencia, A, Cusack, S.
Deposit date:2021-09-17
Release date:2023-01-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Adenosine-Dependent Activation Mechanism of Prodrugs Targeting an Aminoacyl-tRNA Synthetase.
J.Am.Chem.Soc., 145, 2023
5A7L
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BU of 5a7l by Molmil
TP901-1 CI NTD (res 1-80)
Descriptor: CI
Authors:Frandsen, K.E.H, Rasmussen, K.K, Lo Leggio, L.
Deposit date:2015-07-08
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Structural and Dynamics Studies of a Truncated Variant of Ci Repressor from Bacteriophage Tp901-1.
Sci.Rep., 6, 2016
5OC8
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BU of 5oc8 by Molmil
HDM2 (17-111, WILD TYPE) COMPLEXED WITH NVP-HDM201 AT 1.56A
Descriptor: (4~{S})-5-(5-chloranyl-1-methyl-2-oxidanylidene-pyridin-3-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2
Authors:Kallen, J.
Deposit date:2017-06-29
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Dose and Schedule Determine Distinct Molecular Mechanisms Underlying the Efficacy of the p53-MDM2 Inhibitor HDM201.
Cancer Res., 78, 2018
3ZDO
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BU of 3zdo by Molmil
Tetramerization domain of Measles virus phosphoprotein
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, PHOSPHOPROTEIN
Authors:Communie, G, Crepin, T, Jensen, M.R, Blackledge, M, Ruigrok, R.W.H.
Deposit date:2012-11-29
Release date:2013-04-24
Last modified:2013-06-12
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure of the Tetramerization Domain of Measles Virus Phosphoprotein.
J.Virol., 87, 2013
4KTI
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BU of 4kti by Molmil
Crystal Structure of C143A Xathomonas campestris OleA
Descriptor: 3-oxoacyl-[ACP] synthase III
Authors:Goblirsch, B.R.
Deposit date:2013-05-20
Release date:2014-07-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.839 Å)
Cite:Substrate Trapping in Crystals of the Thiolase OleA Identifies Three Channels That Enable Long Chain Olefin Biosynthesis.
J.Biol.Chem., 291, 2016
4KU5
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BU of 4ku5 by Molmil
Crystal Structures of C143S Xanthomonas campestris OleA with Bound Lauric Acid and Lauroyl-CoA
Descriptor: 3-oxoacyl-[ACP] synthase III, DI(HYDROXYETHYL)ETHER, DODECYL-COA, ...
Authors:Goblirsch, B.R.
Deposit date:2013-05-21
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Substrate Trapping in Crystals of the Thiolase OleA Identifies Three Channels That Enable Long Chain Olefin Biosynthesis.
J.Biol.Chem., 291, 2016

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