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5YEU
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BU of 5yeu by Molmil
Structural and mechanistic analyses reveal a unique Cas4-like protein in the mimivirus virophage resistance element system
Descriptor: MAGNESIUM ION, Uncharacterized protein R354
Authors:Dou, C, Yu, M.J, Gu, Y.J, Cheng, W.
Deposit date:2017-09-19
Release date:2018-07-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:Structural and Mechanistic Analyses Reveal a Unique Cas4-like Protein in the Mimivirus Virophage Resistance Element System.
Iscience, 3, 2018
5YET
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BU of 5yet by Molmil
Structure of R354_WT
Descriptor: Uncharacterized protein R354
Authors:Dou, C, Yu, M.J, Gu, Y.J, Cheng, W.
Deposit date:2017-09-19
Release date:2018-06-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.806 Å)
Cite:Structural and Mechanistic Analyses Reveal a Unique Cas4-like Protein in the Mimivirus Virophage Resistance Element System.
Iscience, 3, 2018
1YKR
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BU of 1ykr by Molmil
Crystal structure of cdk2 with an aminoimidazo pyridine inhibitor
Descriptor: 4-{[6-(2,6-DICHLOROBENZOYL)IMIDAZO[1,2-A]PYRIDIN-2-YL]AMINO}BENZENESULFONAMIDE, Cell division protein kinase 2
Authors:Hamdouchi, C, Zhong, B, Mendoza, J, Jaramillo, C, Zhang, F, Brooks, H.B.
Deposit date:2005-01-18
Release date:2006-01-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based design of a new class of highly selective aminoimidazo[1,2-a]pyridine-based inhibitors of cyclin dependent kinases
Bioorg.Med.Chem.Lett., 15, 2005
5ZVV
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BU of 5zvv by Molmil
Structure of SeMet-phAimR
Descriptor: AimR transcriptional regulator, GLYCEROL
Authors:Cheng, W, Dou, C.
Deposit date:2018-05-13
Release date:2018-09-05
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities.
Nat Microbiol, 3, 2018
5ZW6
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BU of 5zw6 by Molmil
Structure of spAimR
Descriptor: AimR transcriptional regulator, GLY-MET-PRO-ARG-GLY-ALA
Authors:Cheng, W, Dou, C.
Deposit date:2018-05-14
Release date:2018-09-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities.
Nat Microbiol, 3, 2018
5ZW5
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BU of 5zw5 by Molmil
Structure of SeMet-spAimR
Descriptor: AimR transcriptional regulator
Authors:Cheng, W, Dou, C.
Deposit date:2018-05-14
Release date:2018-08-29
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities.
Nat Microbiol, 3, 2018
5ZVW
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BU of 5zvw by Molmil
Structure of phAimR-Ligand
Descriptor: AimR transcriptional regulator, SER-ALA-ILE-ARG-GLY-ALA
Authors:Cheng, W, Dou, C.
Deposit date:2018-05-13
Release date:2018-09-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.292 Å)
Cite:Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities.
Nat Microbiol, 3, 2018
1PYE
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BU of 1pye by Molmil
Crystal structure of CDK2 with inhibitor
Descriptor: Cell division protein kinase 2, [2-AMINO-6-(2,6-DIFLUORO-BENZOYL)-IMIDAZO[1,2-A]PYRIDIN-3-YL]-PHENYL-METHANONE
Authors:Zhang, F, Hamdouchi, C.
Deposit date:2003-07-08
Release date:2004-07-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:The discovery of a new structural class of cyclin-dependent kinase inhibitors, aminoimidazo[1,2-a]pyridines.
MOL.CANCER THER., 3, 2004
2PVS
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BU of 2pvs by Molmil
Structure of human pancreatic lipase related protein 2 mutant N336Q
Descriptor: CALCIUM ION, Pancreatic lipase-related protein 2, SULFATE ION
Authors:Spinelli, S, Eydoux, C, Carriere, F, Cambillau, C.
Deposit date:2007-05-10
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of human pancreatic lipase-related protein 2 with the lid in an open conformation.
Biochemistry, 47, 2008
3SP4
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BU of 3sp4 by Molmil
Crystal structure of aprataxin ortholog Hnt3 from Schizosaccharomyces pombe
Descriptor: Aprataxin-like protein, SULFATE ION, ZINC ION
Authors:Gong, Y, Zhu, D, Ding, J, Dou, C, Ren, X, Jiang, T, Wang, D.
Deposit date:2011-07-01
Release date:2011-10-12
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of aprataxin ortholog Hnt3 reveal the mechanism for reversal of 5'-adenylated DNA
Nat.Struct.Mol.Biol., 18, 2011
3SPD
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BU of 3spd by Molmil
Crystal structure of aprataxin ortholog Hnt3 in complex with DNA
Descriptor: Aprataxin-like protein, DNA (5'-D(*GP*TP*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*AP*TP*GP*AP*G)-3'), DNA (5'-D(*TP*AP*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*AP*C)-3'), ...
Authors:Gong, Y, Zhu, D, Ding, J, Dou, C, Ren, X, Jiang, T, Wang, D.
Deposit date:2011-07-01
Release date:2011-10-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.912 Å)
Cite:Crystal structures of aprataxin ortholog Hnt3 reveal the mechanism for reversal of 5'-adenylated DNA
Nat.Struct.Mol.Biol., 18, 2011
3SPL
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BU of 3spl by Molmil
Crystal structure of aprataxin ortholog Hnt3 in complex with DNA and AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Aprataxin-like protein, DNA (5'-D(*GP*TP*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*AP*TP*GP*AP*G)-3'), ...
Authors:Gong, Y, Zhu, D, Ding, J, Dou, C, Ren, X, Jiang, T, Wang, D.
Deposit date:2011-07-02
Release date:2011-10-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Crystal structures of aprataxin ortholog Hnt3 reveal the mechanism for reversal of 5'-adenylated DNA
Nat.Struct.Mol.Biol., 18, 2011
7E23
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BU of 7e23 by Molmil
SARS-CoV-2 spike in complex with the CA521 neutralizing antibody Fab (focused refinement on Fab-RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CA521 Heavy Chain, CA521 Light Chain, ...
Authors:Liu, C, Song, D, Dou, C.
Deposit date:2021-02-04
Release date:2021-05-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure and function analysis of a potent human neutralizing antibody CA521 FALA against SARS-CoV-2.
Commun Biol, 4, 2021
5XUO
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BU of 5xuo by Molmil
Pks13 AT domain fragment from Mycobacterium tuberculosis
Descriptor: Polyketide synthase Pks13
Authors:Yu, M.J, Gu, Y.J, Dou, C, Cheng, W.
Deposit date:2017-06-24
Release date:2018-05-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.586 Å)
Cite:Crystallization and structure analysis of the core motif of the Pks13 acyltransferase domain fromMycobacterium tuberculosis
PeerJ, 6, 2018
8CJ3
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BU of 8cj3 by Molmil
Urea-based foldamer inhibitor c3u_7 chimera in complex with ASF1 histone chaperone
Descriptor: Histone chaperone ASF1A, c3u_7 chimera inhibitor of histone chaperone ASF1
Authors:Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G.
Deposit date:2023-02-11
Release date:2023-07-05
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach.
Chem.Commun.(Camb.), 59, 2023
8CJ1
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BU of 8cj1 by Molmil
Urea-based foldamer inhibitor c3u_3 chimera in complex with ASF1 histone chaperone
Descriptor: Histone chaperone ASF1A, c3u_3 chimera inhibitor of histone chaperone ASF1
Authors:Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G.
Deposit date:2023-02-11
Release date:2023-07-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.564 Å)
Cite:Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach.
Chem.Commun.(Camb.), 59, 2023
8CJ2
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BU of 8cj2 by Molmil
Urea-based foldamer inhibitor c3u_5 chimera in complex with ASF1 histone chaperone
Descriptor: GLYCEROL, Histone chaperone ASF1A, SULFATE ION, ...
Authors:Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G.
Deposit date:2023-02-11
Release date:2023-07-05
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.127 Å)
Cite:Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach.
Chem.Commun.(Camb.), 59, 2023
9CRW
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BU of 9crw by Molmil
Crystal structure of the Candida albicans kinesin-8 proximal tail domain
Descriptor: Kinesin-like protein
Authors:Trofimova, D, Doubleday, C, Hunter, B, Serrano Arevalo, J, Davison, E, Wen, E, Munro, K, Allingham, J.S.
Deposit date:2024-07-22
Release date:2024-09-04
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Crystal structure of the Candida albicans kinesin-8 proximal tail domain
To Be Published
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
1F2N
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BU of 1f2n by Molmil
RICE YELLOW MOTTLE VIRUS
Descriptor: CALCIUM ION, CAPSID PROTEIN
Authors:Qu, C, Liljas, L, Opalka, N, Brugidou, C, Yeager, M, Beachy, R.N, Fauquet, C.M, Johnson, J.E, Lin, T.
Deposit date:2000-05-26
Release date:2000-11-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:3D domain swapping modulates the stability of members of an icosahedral virus group.
Structure Fold.Des., 8, 2000
5KW2
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BU of 5kw2 by Molmil
The extra-helical binding site of GPR40 and the structural basis for allosteric agonism and incretin stimulation
Descriptor: (3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid, Free fatty acid receptor 1,Lysozyme,Free fatty acid receptor 1
Authors:Ho, J.D, Chau, B, Rodgers, L, Lu, F, Wilbur, K.L, Otto, K.A, Chen, Y, Song, M, Riley, J.P, Yang, H.-C, Reynolds, N.A, Kahl, S.D, Lewis, A.P, Groshong, C, Madsen, R.E, Conners, K, Linswala, J.P, Gheyi, T, Saflor, M.D, Lee, M.R, Benach, J, Baker, K.A, Montrose-Rafizadeh, C, Genin, M.J, Miller, A.R, Hamdouchi, C.
Deposit date:2016-07-15
Release date:2018-05-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structural basis for GPR40 allosteric agonism and incretin stimulation.
Nat Commun, 9, 2018
7ED5
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BU of 7ed5 by Molmil
A dual mechanism of action of AT-527 against SARS-CoV-2 polymerase
Descriptor: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
Authors:Shannon, A, Fattorini, V, Sama, B, Selisko, B, Feracci, M, Falcou, C, Gauffre, P, El Kazzi, P, Delpal, A, Decroly, E, Alvarez, K, Eydoux, C, Guillemot, J.-C, Moussa, A, Good, S, Colla, P, Lin, K, Sommadossi, J.-P, Zhu, Y.X, Yan, X.D, Shi, H, Ferron, F, Canard, B.
Deposit date:2021-03-15
Release date:2022-02-16
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:A dual mechanism of action of AT-527 against SARS-CoV-2 polymerase.
Nat Commun, 13, 2022
6ZUF
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BU of 6zuf by Molmil
Urea-based Foldamer Inhibitor chimera C2 in complex with ASF1 Histone chaperone
Descriptor: C2 foldamer/peptide hybrid inhibitor of histone chaperone ASF1, GLYCEROL, Histone chaperone ASF1A, ...
Authors:Bakail, M, Mbianda, J, Perrin, E.M, Guerois, R, Legrand, P, Traore, S, Douat, C, Guichard, G, Ochsenbein, F.
Deposit date:2020-07-22
Release date:2021-06-09
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Optimal anchoring of a foldamer inhibitor of ASF1 histone chaperone through backbone plasticity.
Sci Adv, 7, 2021
5CZB
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BU of 5czb by Molmil
HCV NS5B IN COMPLEX WITH LIGAND IDX17119-5
Descriptor: 1-[4-(7-amino-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-{[(R)-(2,4-dimethylphenyl)(methoxy)phosphoryl]amino}-1H-pyrazole-4-carboxylic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Pierra, C, Dousson, C, Augustin, M.
Deposit date:2015-07-31
Release date:2016-06-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Synthesis of potent and broad genotypically active NS5B HCV non-nucleoside inhibitors binding to the thumb domain allosteric site 2 of the viral polymerase.
Bioorg.Med.Chem.Lett., 26, 2016
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:2024-05-08
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

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