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4UWF
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BU of 4uwf by Molmil
Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
Descriptor: (8S)-9-[3,5-bis(fluoranyl)phenyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3
Authors:Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B.
Deposit date:2014-08-12
Release date:2014-11-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
4UWG
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BU of 4uwg by Molmil
Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
Descriptor: (8S)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SULFATE ION
Authors:Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B.
Deposit date:2014-08-12
Release date:2014-11-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
4V5T
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BU of 4v5t by Molmil
X-ray structure of the Grapevine Fanleaf virus
Descriptor: COAT PROTEIN
Authors:Schellenberger, P, Sauter, C, Lorber, B, Bron, P, Trapani, S, Bergdoll, M, Marmonier, A, Schmitt-Keichinger, C, Lemaire, O, Demangeat, G, Ritzenthaler, C.
Deposit date:2011-02-01
Release date:2014-07-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Insights Into Viral Determinants of Nematode Mediated Grapevine Fanleaf Virus Transmission.
Plos Pathog., 7, 2011
4U4I
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BU of 4u4i by Molmil
Megavirus chilensis superoxide dismutase
Descriptor: Cu/Zn superoxide dismutase
Authors:Lartigue, A, Claverie, J.-M, Burlat, B, Coutard, B, Abergel, C.
Deposit date:2014-07-23
Release date:2014-11-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The megavirus chilensis cu,zn-superoxide dismutase: the first viral structure of a typical cellular copper chaperone-independent hyperstable dimeric enzyme.
J.Virol., 89, 2015
5D11
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BU of 5d11 by Molmil
Kinase domain of cSrc in complex with RL235
Descriptor: GLYCEROL, N-[3-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src
Authors:Becker, C, Gruetter, C, Engel, J, Rauh, D.
Deposit date:2015-08-03
Release date:2015-09-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach.
J.Med.Chem., 58, 2015
4V5W
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BU of 4v5w by Molmil
Grapevine Fanleaf virus
Descriptor: COAT PROTEIN
Authors:Schellenberger, P, Demangeat, G, Ritzenthaler, C, Lorber, B, Sauter, C.
Deposit date:2011-05-10
Release date:2014-07-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Exploiting Protein Engineering and Crystal Polymorphism for Successful X-Ray Structure Determination
Cryst.Growth Des., 11, 2011
5XYF
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BU of 5xyf by Molmil
Crystal structure of the human TIN2-TPP1-TRF2 telomeric complex
Descriptor: Adrenocortical dysplasia protein homolog, TERF1-interacting nuclear factor 2, Telomeric repeat-binding factor 2
Authors:Hu, C, Chen, Y.
Deposit date:2017-07-07
Release date:2017-12-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Structural and functional analyses of the mammalian TIN2-TPP1-TRF2 telomeric complex.
Cell Res., 27, 2017
4V8N
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BU of 4v8n by Molmil
The crystal structure of agmatidine tRNA-Ile2 bound to the 70S ribosome in the A and P site.
Descriptor: 16S RRNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Voorhees, R.M, Mandal, D, Neubauer, C, Koehrer, C, RajBhandary, U.L, Ramakrishnan, V.
Deposit date:2013-02-13
Release date:2014-07-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The Structural Basis for Specific Decoding of Aua by Isoleucine tRNA on the Ribosome
Nat.Struct.Mol.Biol., 20, 2013
4UYB
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BU of 4uyb by Molmil
Crystal structure of SEC14-like protein 3
Descriptor: 1,2-ETHANEDIOL, SEC14-LIKE PROTEIN 3, UNKNOWN LIGAND
Authors:Kopec, J, Goubin, S, Krojer, T, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
Deposit date:2014-08-29
Release date:2014-09-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of Sec14-Like Protein 3
To be Published
3RZL
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BU of 3rzl by Molmil
Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage
Descriptor: 5'-D(*AP*TP*GP*TP*AP*TP*CP*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*IP*AP*TP*AP*CP*A)-3', Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, ...
Authors:Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C.
Deposit date:2011-05-11
Release date:2012-06-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
4USX
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BU of 4usx by Molmil
The Structure of the C-terminal YadA-like domain of BPSL2063 from Burkholderia pseudomallei
Descriptor: MAGNESIUM ION, TRIMERIC AUTOTRANSPORTER ADHESIN
Authors:Perletti, L, Gourlay, L.J, Peano, C, Pietrelli, A, DeBellis, G, Deantonio, C, Santoro, C, Sblattero, D, Bolognesi, M.
Deposit date:2014-07-16
Release date:2015-07-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Selecting Soluble/Foldable Protein Domains Through Single-Gene or Genomic Orf Filtering: Structure of the Head Domain of Burkholderia Pseudomallei Antigen Bpsl2063.
Acta Crystallogr.,Sect.D, 71, 2015
4URU
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BU of 4uru by Molmil
The crystal structure of H-Ras and SOS in complex with ligands
Descriptor: 4-METHOXY-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1
Authors:Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4UY4
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BU of 4uy4 by Molmil
1.86 A structure of human Spindlin-4 protein in complex with histone H3K4me3 peptide
Descriptor: GLYCEROL, HISTONE H3K4ME3, SPINDLIN-4
Authors:Talon, R, Gileadi, C, Johansson, C, Burgess-Brown, N, Shrestha, L, von Delft, F, Krojer, T, Fairhead, M, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U.
Deposit date:2014-08-28
Release date:2014-09-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.862 Å)
Cite:1.86 A Structure of Human Spindlin-4 Protein in Complex with Histone H3K4Me3 Peptide
To be Published
3K4T
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BU of 3k4t by Molmil
Crystal structure of the virion-associated protein P3 from caulimovirus
Descriptor: CHLORIDE ION, Virion-associated protein
Authors:Dumas, C, Hoh, F.
Deposit date:2009-10-06
Release date:2010-03-16
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural insights into the molecular mechanisms of cauliflower mosaic virus transmission by its insect vector.
J.Virol., 84, 2010
4V0G
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BU of 4v0g by Molmil
JAK3 in complex with a covalent EGFR inhibitor
Descriptor: N-[3-(2-{3-amino-6-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrazin-2-yl}-1H-benzimidazol-1-yl)phenyl]propanamide, TYROSINE-PROTEIN KINASE JAK3
Authors:Debreczeni, J.E, Hennessy, E.J, Chuaquini, C, Ashton, S, Coclough, N, Cross, D.A.E, Eberlein, C, Gingipalli, L, Klinowska, T.C.M, Orme, J.P, Sha, L, Wu, X.
Deposit date:2014-09-16
Release date:2016-01-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Utilisation of Structure Based Design to Identify Novel, Irreversible Inhibitors of the Epidermal Growth Factor Receptor (Egfr) Harboring the Gatekeeper T790M Mutation
To be Published
4URJ
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BU of 4urj by Molmil
Crystal structure of human BJ-TSA-9
Descriptor: 1,2-ETHANEDIOL, PROTEIN FAM83A
Authors:Pinkas, D.M, Sanvitale, C, Wang, D, Krojer, T, Kopec, J, Chaikuad, A, Dixon Clarke, S, Berridge, G, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Bullock, A.
Deposit date:2014-06-30
Release date:2014-10-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Crystal Structure of Human Bj-Tsa-9
To be Published
4WIW
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BU of 4wiw by Molmil
Crystal structure of C-terminal domain of putative chitinase from Desulfitobacterium hafniense DCB-2
Descriptor: CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Chang, C, Tesar, C, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-09-26
Release date:2014-10-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.637 Å)
Cite:Crystal structure of C-terminal domain of putative chitinase from Desulfitobacterium hafniense DCB-2
To Be Published
4WER
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BU of 4wer by Molmil
Crystal structure of diacylglycerol kinase catalytic domain protein from Enterococcus faecalis V583
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Diacylglycerol kinase catalytic domain protein
Authors:Chang, C, Clancy, S, Hatzos-Skintges, C, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-09-10
Release date:2014-09-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of diacylglycerol kinase catalytic domain protein from Enterococcus faecalis V583
To Be Published
4UYN
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BU of 4uyn by Molmil
SAR156497 an exquisitely selective inhibitor of Aurora kinases
Descriptor: AURORA KINASE A, ethyl (9S)-9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate
Authors:Carry, J.C, Clerc, F, Minoux, H, Schio, L, Mauger, J, Nair, A, Parmantier, E, Lemoigne, R, Delorme, C, Nicolas, J.P, Krick, A, Abecassis, P.Y, Crocq-Stuerga, V, Pouzieux, S, Delarbre, L, Maignan, S, Bertrand, T, Bjergarde, K, Ma, N, Lachaud, S, Guizani, H, Lebel, R, Doerflinger, G, Monget, S, Perron, S, Gasse, F, Angouillant-Boniface, O, Filoche-Romme, B, Murer, M, Gontier, S, Prevost, C, Monteiro, M.L, Combeau, C.
Deposit date:2014-09-02
Release date:2014-11-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sar156497, an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
7QPB
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BU of 7qpb by Molmil
Catalytic C-lobe of the HECT-type ubiquitin ligase E6AP in complex with a hybrid foldamer-peptide macrocycle
Descriptor: Isoform I of Ubiquitin-protein ligase E3A, hybrid foldamer-peptide macrocycle
Authors:Dengler, S, Howard, R.T, Morozov, V, Tsiamantas, C, Douat, C, Suga, H, Huc, I.
Deposit date:2022-01-03
Release date:2023-09-27
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.342 Å)
Cite:Display Selection of a Hybrid Foldamer-Peptide Macrocycle.
Angew.Chem.Int.Ed.Engl., 62, 2023
7NHN
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BU of 7nhn by Molmil
VgaL, an antibiotic resistance ABCF, in complex with 70S ribosome from Listeria monocytogenes
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Crowe-McAuliffe, C, Turnbull, K.J, Hauryliuk, V, Wilson, D.N.
Deposit date:2021-02-10
Release date:2021-05-05
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of ABCF-mediated resistance to pleuromutilin, lincosamide, and streptogramin A antibiotics in Gram-positive pathogens.
Nat Commun, 12, 2021
7NHM
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BU of 7nhm by Molmil
70S ribosome from Staphylococcus aureus
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Crowe-McAuliffe, C, Murina, V, Hauryliuk, V, Wilson, D.N.
Deposit date:2021-02-10
Release date:2021-05-05
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of ABCF-mediated resistance to pleuromutilin, lincosamide, and streptogramin A antibiotics in Gram-positive pathogens.
Nat Commun, 12, 2021
7NHK
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BU of 7nhk by Molmil
LsaA, an antibiotic resistance ABCF, in complex with 70S ribosome from Enterococcus faecalis
Descriptor: 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ...
Authors:Crowe-McAuliffe, C, Kasari, M, Hauryliuk, V.H, Wilson, D.N.
Deposit date:2021-02-10
Release date:2021-05-05
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of ABCF-mediated resistance to pleuromutilin, lincosamide, and streptogramin A antibiotics in Gram-positive pathogens.
Nat Commun, 12, 2021
7NHL
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BU of 7nhl by Molmil
VgaA-LC, an antibiotic resistance ABCF, in complex with 70S ribosome from Staphylococcus aureus
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Crowe-McAuliffe, C, Murina, V, Hauryliuk, V, Wilson, D.N.
Deposit date:2021-02-10
Release date:2021-05-05
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of ABCF-mediated resistance to pleuromutilin, lincosamide, and streptogramin A antibiotics in Gram-positive pathogens.
Nat Commun, 12, 2021
4UY9
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BU of 4uy9 by Molmil
Structure of MLK1 kinase domain with leucine zipper 1
Descriptor: MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 9
Authors:Read, J.A, Brassington, C, Pollard, H.K, Phillips, C, Green, I, Overmann, R, Collier, M.
Deposit date:2014-08-29
Release date:2015-09-30
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Recurrent Mlk4 Loss-of-Function Mutations Suppress Jnk Signaling to Promote Colon Tumorigenesis.
Cancer Res., 76, 2016

238582

数据于2025-07-09公开中

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