2IXQ
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![BU of 2ixq by Molmil](/molmil-images/mine/2ixq) | The solution structure of the invasive tip complex from Afa-Dr fibrils | Descriptor: | Afimbrial adhesin AFA-III, Protein AfaD | Authors: | Cota, E, Jones, C, Simpson, P, Altroff, H, Anderson, K.L, du Merle, L, Guignot, J, Servin, A, Le Bouguenec, C, Mardon, H, Matthews, S. | Deposit date: | 2006-07-10 | Release date: | 2006-09-20 | Last modified: | 2018-12-05 | Method: | SOLUTION NMR | Cite: | The solution structure of the invasive tip complex from Afa/Dr fibrils. Mol. Microbiol., 62, 2006
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2FVN
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4EOO
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![BU of 4eoo by Molmil](/molmil-images/mine/4eoo) | Thr 160 phosphorylated CDK2 Q131E - human cyclin A3 complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | Deposit date: | 2012-04-14 | Release date: | 2013-02-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
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4EOJ
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![BU of 4eoj by Molmil](/molmil-images/mine/4eoj) | Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | Deposit date: | 2012-04-14 | Release date: | 2013-02-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
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4EOI
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![BU of 4eoi by Molmil](/molmil-images/mine/4eoi) | Thr 160 phosphorylated CDK2 K89D, Q131E - human cyclin A3 complex with the inhibitor RO3306 | Descriptor: | (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | Deposit date: | 2012-04-14 | Release date: | 2013-02-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
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4EOM
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![BU of 4eom by Molmil](/molmil-images/mine/4eom) | Thr 160 phosphorylated CDK2 H84S, Q85M, Q131E - human cyclin A3 complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | Deposit date: | 2012-04-14 | Release date: | 2013-02-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
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4EOP
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![BU of 4eop by Molmil](/molmil-images/mine/4eop) | Thr 160 phosphorylated CDK2 Q131E - human cyclin A3 complex with the inhibitor RO3306 | Descriptor: | (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | Deposit date: | 2012-04-14 | Release date: | 2013-02-06 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
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4EOL
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![BU of 4eol by Molmil](/molmil-images/mine/4eol) | Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with the inhibitor RO3306 | Descriptor: | (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | Deposit date: | 2012-04-14 | Release date: | 2013-02-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
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4EOQ
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![BU of 4eoq by Molmil](/molmil-images/mine/4eoq) | Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | Deposit date: | 2012-04-14 | Release date: | 2013-02-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
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4EON
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![BU of 4eon by Molmil](/molmil-images/mine/4eon) | Thr 160 phosphorylated CDK2 H84S, Q85M, Q131E - human cyclin A3 complex with the inhibitor RO3306 | Descriptor: | (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | Deposit date: | 2012-04-14 | Release date: | 2013-02-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
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4EOR
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![BU of 4eor by Molmil](/molmil-images/mine/4eor) | Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with the inhibitor NU6102 | Descriptor: | Cyclin-A2, Cyclin-dependent kinase 2, O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | Deposit date: | 2012-04-14 | Release date: | 2013-02-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
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4EOK
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![BU of 4eok by Molmil](/molmil-images/mine/4eok) | Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with the inhibitor NU6102 | Descriptor: | Cyclin-A2, Cyclin-dependent kinase 2, MONOTHIOGLYCEROL, ... | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | Deposit date: | 2012-04-14 | Release date: | 2013-02-06 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
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4EOS
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![BU of 4eos by Molmil](/molmil-images/mine/4eos) | Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with the inhibitor RO3306 | Descriptor: | (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2 | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | Deposit date: | 2012-04-14 | Release date: | 2013-02-06 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
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4R1E
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![BU of 4r1e by Molmil](/molmil-images/mine/4r1e) | Crystal Structure of MTIP from Plasmodium falciparum in complex with a peptide-fragment chimera | Descriptor: | 5-{[(2-aminoethyl)sulfanyl]methyl}furan-2-carbaldehyde, Myosin A tail domain interacting protein, Myosin-A | Authors: | Douse, C.H, Vrielink, N, Cota, E, Tate, E.W. | Deposit date: | 2014-08-05 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Targeting a Dynamic Protein-Protein Interaction: Fragment Screening against the Malaria Myosin A Motor Complex. Chemmedchem, 10, 2015
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7OPQ
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![BU of 7opq by Molmil](/molmil-images/mine/7opq) | Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CA1 in C188 | Descriptor: | 1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one, GLYCEROL, MAGNESIUM ION, ... | Authors: | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | Deposit date: | 2021-06-01 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A. Rsc Med Chem, 13, 2022
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7OPR
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![BU of 7opr by Molmil](/molmil-images/mine/7opr) | Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CB1 in C123 | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | Deposit date: | 2021-06-01 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A. Rsc Med Chem, 13, 2022
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7OPP
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![BU of 7opp by Molmil](/molmil-images/mine/7opp) | Crystal structure of the Rab27a fusion with Slp2a-RBDa1 effector for SF4 pocket drug targeting | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Synaptotagmin-like protein 2,Ras-related protein Rab-27A | Authors: | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | Deposit date: | 2021-06-01 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A. Rsc Med Chem, 13, 2022
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6FCO
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![BU of 6fco by Molmil](/molmil-images/mine/6fco) | Structural and functional characterisation of Frataxin (FXN) like protein from Chaetomium thermophilum | Descriptor: | MALONIC ACID, Mitochondrial frataxin-like protein | Authors: | Jamshidiha, M, Rasheed, M, Pastore, A, Cota, E. | Deposit date: | 2017-12-20 | Release date: | 2019-01-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structural and functional characterization of a frataxin from a thermophilic organism. FEBS J., 286, 2019
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2MPV
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![BU of 2mpv by Molmil](/molmil-images/mine/2mpv) | Structural insight into host recognition and biofilm formation by aggregative adherence fimbriae of enteroaggregative Esherichia coli | Descriptor: | Major fimbrial subunit of aggregative adherence fimbria II AafA | Authors: | Matthews, S.J, Yang, Y, Berry, A.A, Pakharukova, N, Garnett, J.A, Lee, W, Cota, E, Liu, B, Roy, S, Tuittila, M, Marchant, J, Inman, K.G, Ruiz-Perez, F, Mandomando, I, Nataro, J.P, Zavialov, A.V. | Deposit date: | 2014-06-04 | Release date: | 2014-10-29 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural insight into host recognition by aggregative adherence fimbriae of enteroaggregative Escherichia coli. Plos Pathog., 10, 2014
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2Y2T
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7S81
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![BU of 7s81 by Molmil](/molmil-images/mine/7s81) | Structure of human PARP1 domains (Zn1, Zn3, WGR, HD) bound to a DNA double strand break. | Descriptor: | DNA (5'-D(*AP*TP*GP*CP*GP*GP*CP*CP*GP*CP*AP*T)-3'), Poly [ADP-ribose] polymerase 1, ZINC ION | Authors: | Rouleau-Turcotte, E, Pascal, J.M. | Deposit date: | 2021-09-17 | Release date: | 2022-06-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery. Mol.Cell, 82, 2022
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7S6H
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![BU of 7s6h by Molmil](/molmil-images/mine/7s6h) | Human PARP1 deltaV687-E688 bound to NAD+ analog EB-47 and to a DNA double strand break. | Descriptor: | 1,2-ETHANEDIOL, 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, DNA (5'-D(*CP*GP*AP*CP*G)-3'), ... | Authors: | Rouleau-Turcotte, E, Pascal, J.M. | Deposit date: | 2021-09-14 | Release date: | 2022-06-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery. Mol.Cell, 82, 2022
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7S6M
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7S68
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![BU of 7s68 by Molmil](/molmil-images/mine/7s68) | Structure of human PARP1 domains (Zn1, Zn3, WGR and HD) bound to a DNA double strand break. | Descriptor: | DNA (5'-D(*GP*CP*CP*TP*GP*CP*AP*GP*GP*C)-3'), Fusion of PARP1 zinc fingers 1 and 3 (Zn1, Zn3), ... | Authors: | Rouleau-Turcotte, E, Pascal, J.M. | Deposit date: | 2021-09-13 | Release date: | 2022-06-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery. Mol.Cell, 82, 2022
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2Y2Y
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![BU of 2y2y by Molmil](/molmil-images/mine/2y2y) | Oxidised form of E. coli CsgC | Descriptor: | ACETATE ION, CURLI PRODUCTION PROTEIN CSGC | Authors: | Taylor, J.D, Salgado, P.S, Constable, S.C, Cota, E, Mathews, S.J. | Deposit date: | 2010-12-16 | Release date: | 2011-09-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Atomic Resolution Insights Into Curli Fiber Biogenesis. Structure, 19, 2011
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