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5FHX
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BU of 5fhx by Molmil
CRYSTAL STRUCTURE OF CODV IN COMPLEX WITH IL4 AT 2.55 Ang. RESOLUTION.
Descriptor: Antibody fragment light chain, Interleukin-4, PHOSPHATE ION, ...
Authors:Vallee, F, Dupuy, A, Rak, A.
Deposit date:2015-12-22
Release date:2016-03-30
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:CODV-Ig, a universal bispecific tetravalent and multifunctional immunoglobulin format for medical applications.
Mabs, 8, 2016
1AB3
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BU of 1ab3 by Molmil
RIBOSOMAL PROTEIN S15 FROM THERMUS THERMOPHILUS, NMR, 26 STRUCTURES
Descriptor: RIBOSOMAL RNA BINDING PROTEIN S15
Authors:Berglund, H, Rak, A, Serganov, A, Garber, M, Hard, T.
Deposit date:1997-02-03
Release date:1997-04-01
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution structure of the ribosomal RNA binding protein S15 from Thermus thermophilus.
Nat.Struct.Biol., 4, 1997
3DAD
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BU of 3dad by Molmil
Crystal structure of the N-terminal regulatory domains of the formin FHOD1
Descriptor: FH1/FH2 domain-containing protein 1
Authors:Schulte, A, Stolp, B, Schonichen, A, Pylypenko, O, Rak, A, Fackler, O.T, Geyer, M.
Deposit date:2008-05-29
Release date:2008-09-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Human Formin FHOD1 Contains a Bipartite Structure of FH3 and GTPase-Binding Domains Required for Activation.
Structure, 16, 2008
6SBO
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BU of 6sbo by Molmil
Estrogen receptor mutant L536S
Descriptor: 6-(2,4-dichlorophenyl)-5-[4-[(3~{S})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{H}-benzo[7]annulene-2-carboxylic acid, Estrogen receptor
Authors:Vallee, F, Steier, V, Rak, A.
Deposit date:2019-07-22
Release date:2019-11-27
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Discovery of 6-(2,4-Dichlorophenyl)-5-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid (SAR439859), a Potent and Selective Estrogen Receptor Degrader (SERD) for the Treatment of Estrogen-Receptor-Positive Breast Cancer.
J.Med.Chem., 63, 2020
5BX0
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BU of 5bx0 by Molmil
An Automated Microscale Thermophoresis Screening Approach for Fragment-Based Lead Discovery
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, ethyl 2H-indazole-5-carboxylate
Authors:Vallee, F, Steier, V, Rak, A.
Deposit date:2015-06-08
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:An Automated Microscale Thermophoresis Screening Approach for Fragment-Based Lead Discovery.
J Biomol Screen, 21, 2016
2FU5
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BU of 2fu5 by Molmil
structure of Rab8 in complex with MSS4
Descriptor: BETA-MERCAPTOETHANOL, Guanine nucleotide exchange factor MSS4, Ras-related protein Rab-8A, ...
Authors:Itzen, A, Pylypenko, O, Goody, R.S, Rak, A.
Deposit date:2006-01-26
Release date:2006-04-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nucleotide exchange via local protein unfolding-structure of Rab8 in complex with MSS4
Embo J., 25, 2006
2GIL
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BU of 2gil by Molmil
Structure of the extremely slow GTPase Rab6A in the GTP bound form at 1.8 resolution
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-6A
Authors:Bergbrede, T, Pylypenko, O, Rak, A, Alexandrov, K.
Deposit date:2006-03-29
Release date:2006-06-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure of the extremely slow GTPase Rab6A in the GTP bound form at 1.8 resolution
J.STRUCT.BIOL., 152, 2005
5HCG
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BU of 5hcg by Molmil
CRYSTAL STRUCTURE OF FREE-CODV.
Descriptor: CODV heavy-chain, CODV light chain
Authors:Vallee, F, Dupuy, A, Rak, A.
Deposit date:2016-01-04
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:CODV-Ig, a universal bispecific tetravalent and multifunctional immunoglobulin format for medical applications.
Mabs, 8, 2016
3BW6
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BU of 3bw6 by Molmil
Crystal structure of the longin domain of yeast Ykt6
Descriptor: SULFATE ION, Synaptobrevin homolog YKT6
Authors:Pylypenko, O, Schonichen, A, Ludwig, D, Ungermann, C, Goody, R.S, Rak, A, Geyer, M.
Deposit date:2008-01-08
Release date:2008-04-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Farnesylation of the SNARE protein Ykt6 increases its stability and helical folding.
J.Mol.Biol., 377, 2008
1N88
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BU of 1n88 by Molmil
NMR structure of the ribosomal protein L23 from Thermus thermophilus.
Descriptor: Ribosomal protein L23
Authors:Ohman, A, Rak, A, Dontsova, M, Garber, M.B, Hard, T.
Deposit date:2002-11-20
Release date:2003-06-10
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:NMR structure of the ribosomal protein L23 from Thermus thermophilus.
J.Biomol.NMR, 26, 2003
3JWE
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BU of 3jwe by Molmil
Crystal structure of human mono-glyceride lipase in complex with SAR629
Descriptor: 1-[bis(4-fluorophenyl)methyl]-4-(1H-1,2,4-triazol-1-ylcarbonyl)piperazine, MGLL protein
Authors:Bertrand, T, Auge, F, Houtmann, J, Rak, A, Vallee, F, Mikol, V, Berne, P.F, Michot, N, Cheuret, D, Hoornaert, C, Mathieu, M.
Deposit date:2009-09-18
Release date:2010-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for human monoglyceride lipase inhibition.
J.Mol.Biol., 396, 2010
3JW8
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BU of 3jw8 by Molmil
Crystal structure of human mono-glyceride lipase
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, MGLL protein
Authors:Bertrand, T, Auge, F, Houtmann, J, Rak, A, Vallee, F, Mikol, V, Berne, P.F, Michot, N, Cheuret, D, Hoornaert, C, Mathieu, M.
Deposit date:2009-09-18
Release date:2010-01-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for human monoglyceride lipase inhibition.
J.Mol.Biol., 396, 2010
3CPI
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BU of 3cpi by Molmil
Crystal structure of yeast Rab-GDI
Descriptor: Rab GDP-dissociation inhibitor
Authors:Kravchenko, S, Ignatev, A, Goody, R.S, Rak, A, Pylypenko, O.
Deposit date:2008-03-31
Release date:2008-05-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A structural model of the GDP dissociation inhibitor rab membrane extraction mechanism.
J.Biol.Chem., 283, 2008
3CPJ
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BU of 3cpj by Molmil
Crystal structure of Ypt31 in complex with yeast Rab-GDI
Descriptor: CHLORIDE ION, GTP-binding protein YPT31/YPT8, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Kravchenko, S, Ignatev, A, Goody, R.S, Rak, A, Pylypenko, O.
Deposit date:2008-03-31
Release date:2008-05-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A structural model of the GDP dissociation inhibitor rab membrane extraction mechanism.
J.Biol.Chem., 283, 2008
3CPH
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BU of 3cph by Molmil
Crystal structure of Sec4 in complex with Rab-GDI
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rab GDP-dissociation inhibitor, ...
Authors:Kravchenko, S, Ignatev, A, Goody, R.S, Rak, A, Pylypenko, O.
Deposit date:2008-03-31
Release date:2008-05-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A structural model of the GDP dissociation inhibitor rab membrane extraction mechanism.
J.Biol.Chem., 283, 2008
2BCG
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BU of 2bcg by Molmil
Structure of doubly prenylated Ypt1:GDI complex
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GERAN-8-YL GERAN, GTP-binding protein YPT1, ...
Authors:Pylypenko, O, Rak, A, Alexandrov, K.
Deposit date:2005-10-19
Release date:2006-01-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structure of doubly prenylated Ypt1:GDI complex and the mechanism of GDI-mediated Rab recycling
Embo J., 25, 2006
4AJW
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BU of 4ajw by Molmil
Discovery and Optimization of New Benzimidazole- and Benzoxazole-Pyrimidone Selective PI3KBeta Inhibitors for the Treatment of Phosphatase and TENsin homologue (PTEN)-Deficient Cancers
Descriptor: 2-[(1-methyl-1H-benzimidazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4(3H)-one, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM
Authors:Certal, V, Halley, F, Virone-Oddos, A, Delorme, C, Karlsson, A, Rak, A, Thompson, F, Filoche-Romme, B, El-Ahmad, Y, Carry, J.C, Abecassis, P.Y, Lejeune, P, Bonnevaux, H, Nicolas, J.P, Bertrand, T, Marquette, J.P, Michot, N, Benard, T, Below, P, Vade, I, Chatreaux, F, Lebourg, G, Pilorge, F, Angouillant-Boniface, O, Louboutin, A, Lengauer, C, Schio, L.
Deposit date:2012-02-20
Release date:2012-05-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and Optimization of New Benzimidazole- and Benzoxazole-Pyrimidone Selective Pi3Kbeta Inhibitors for the Treatment of Phosphatase and Tensin Homologue (Pten)-Deficient Cancers.
J.Med.Chem., 55, 2012
3BN0
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BU of 3bn0 by Molmil
The ribosomal protein S16 from Aquifex aeolicus
Descriptor: 30S ribosomal protein S16, GLYCEROL
Authors:Pylypenko, O, Rak, A.
Deposit date:2007-12-13
Release date:2008-05-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Extreme temperature tolerance of a hyperthermophilic protein coupled to residual structure in the unfolded state
J.Mol.Biol., 379, 2008
2RAK
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BU of 2rak by Molmil
PI(3)P bound PX-BAR membrane remodeling unit of Sorting Nexin 9
Descriptor: 2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE, Sorting nexin-9
Authors:Pylypenko, O, Lundmark, R, Rasmuson, E, Carlsson, S.R, Rak, A.
Deposit date:2007-09-16
Release date:2007-12-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:The PX-BAR membrane-remodeling unit of sorting nexin 9
Embo J., 26, 2007
2RAI
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BU of 2rai by Molmil
The PX-BAR membrane remodeling unit of Sorting Nexin 9
Descriptor: Sorting nexin-9
Authors:Pylypenko, O, Lundmark, R, Rasmuson, E, Carlsson, S.R, Rak, A.
Deposit date:2007-09-16
Release date:2007-12-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The PX-BAR membrane-remodeling unit of sorting nexin 9
Embo J., 26, 2007
4BFR
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BU of 4bfr by Molmil
Discovery and Optimization of Pyrimidone Indoline Amide PI3Kbeta Inhibitors for the Treatment of Phosphatase and TENsin homologue (PTEN)-Deficient Cancers
Descriptor: 2-[2-(2-METHYL-2,3-DIHYDRO-INDOL-1-YL)-2-OXO-ETHYL]-6-MORPHOLIN-4-YL-3H-PYRIMIDIN-4-ONE, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC S SUBUNIT BETA ISOFORM
Authors:Certal, V, Carry, J.C, Halley, F, Virone-Oddos, A, Thompson, F, Filoche-Romme, B, El-Ahmad, Y, Karlsson, A, Charrier, V, Delorme, C, Rak, A, Abecassis, P.Y, Amara, C, Vincent, L, Bonnevaux, H, Nicolas, J.P, Mathieu, M, Bertrand, T, Marquette, J.P, Michot, N, Benard, T, Perrin, M.A, Perron, S, Monget, S, Gruss-Leleu, F, Doerflinger, G, Guizani, H, Brollo, M, Delbarre, L, Bertin, L, Richepin, P, Loyau, V, Garcia-Echeverria, C, Lengauer, C, Schio, L.
Deposit date:2013-03-22
Release date:2014-01-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and Optimization of Pyrimidone Indoline Amide Pi3Kbeta Inhibitors for the Treatment of Phosphatase and Tensin Homologue (Pten)-Deficient Cancers.
J.Med.Chem., 57, 2014
2RAJ
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BU of 2raj by Molmil
SO4 bound PX-BAR membrane remodeling unit of Sorting Nexin 9
Descriptor: SULFATE ION, Sorting nexin-9
Authors:Pylypenko, O, Lundmark, R, Rasmuson, E, Carlsson, S.R, Rak, A.
Deposit date:2007-09-16
Release date:2007-12-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The PX-BAR membrane-remodeling unit of sorting nexin 9
Embo J., 26, 2007
3ZLX
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BU of 3zlx by Molmil
Crystal structure of MEK1 in complex with fragment 18
Descriptor: 7-choro-6-[(3R)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2H)-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1
Authors:Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A.
Deposit date:2013-02-04
Release date:2013-05-22
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1.
Bioorg.Med.Chem.Lett., 23, 2013
3ZLS
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BU of 3zls by Molmil
Crystal structure of MEK1 in complex with fragment 6
Descriptor: 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, SODIUM ION
Authors:Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A.
Deposit date:2013-02-04
Release date:2013-05-22
Last modified:2013-05-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1.
Bioorg.Med.Chem.Lett., 23, 2013
3ZLY
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BU of 3zly by Molmil
Crystal structure of MEK1 in complex with fragment 8
Descriptor: 3-AMINO-1H-INDAZOLE-4-CARBONITRILE, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, SODIUM ION
Authors:Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A.
Deposit date:2013-02-04
Release date:2013-05-22
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1.
Bioorg.Med.Chem.Lett., 23, 2013

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