6RAI
 
 | | Heterodimeric ABC exporter TmrAB in ATP-bound outward-facing occluded conformation | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Multidrug resistance ABC transporter ATP-binding and permease protein, ... | | Authors: | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | | Deposit date: | 2019-04-06 | | Release date: | 2019-07-31 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
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4V32
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Thalidomide, Y101F mutant | | Descriptor: | CEREBLON ISOFORM 4, S-Thalidomide, ZINC ION | | Authors: | Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B. | | Deposit date: | 2014-10-15 | | Release date: | 2014-12-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Thalidomide Mimics Uridine Binding to an Aromatic Cage in Cereblon.
J.Struct.Biol., 188, 2014
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4UXI
 | | Leishmania major Thymidine Kinase in complex with thymidine | | Descriptor: | PHOSPHATE ION, THYMIDINE, THYMIDINE KINASE, ... | | Authors: | Timm, J, Bosch-Navarrete, C, Recio, E, Nettleship, J.E, Rada, H, Gonzalez-Pacanowska, D, Wilson, K.S. | | Deposit date: | 2014-08-22 | | Release date: | 2015-05-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Structural and Kinetic Characterization of Thymidine Kinase from Leishmania Major.
Plos Negl Trop Dis, 9, 2015
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6RCX
 | | Mycobacterial 4'-phosphopantetheinyl transferase PptAb in complex with the ACP domain of PpsC. | | Descriptor: | CACODYLATE ION, COENZYME A, MANGANESE (II) ION, ... | | Authors: | Nguyen, M.C, Mourey, L, Pedelacq, J.D. | | Deposit date: | 2019-04-12 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020
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4USH
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6RAL
 | | Heterodimeric ABC exporter TmrAB under turnover conditions in asymmetric unlocked return conformation | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | | Deposit date: | 2019-04-06 | | Release date: | 2019-07-31 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
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3LDG
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6RAF
 | | Heterodimeric ABC exporter TmrAB in inward-facing narrow conformation under turnover conditions | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Anti-vesicular stomatitis virus N VHH, ... | | Authors: | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | | Deposit date: | 2019-04-06 | | Release date: | 2019-07-31 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
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6DKQ
 | | Crystal structure of the Shr Hemoglobin Interacting Domain 2 | | Descriptor: | Heme-binding protein Shr, SULFATE ION | | Authors: | Macdonald, R, Cascio, D, Collazo, M.J, Clubb, R.T. | | Deposit date: | 2018-05-30 | | Release date: | 2018-10-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Streptococcus pyogenes Shr protein captures human hemoglobin using two structurally unique binding domains.
J.Biol.Chem., 293, 2018
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4UUJ
 | | POTASSIUM CHANNEL KCSA-FAB WITH TETRAHEXYLAMMONIUM | | Descriptor: | ANTIBODY FAB FRAGMENT HEAVY CHAIN, ANTIBODY FAB FRAGMENT LIGHT CHAIN, COBALT (II) ION, ... | | Authors: | Lenaeus, M.J, Burdette, D, Wagner, T, Focia, P.J, Gross, A. | | Deposit date: | 2014-07-29 | | Release date: | 2014-08-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of Kcsa in Complex with Symmetrical Quaternary Ammonium Compounds Reveal a Hydrophobic Binding Site.
Biochemistry, 53, 2014
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6DJ0
 | | ASLTVS segment from Human Immunoglobulin Light-Chain Variable Domain, Residues 73-78, assembled as an amyloid fibril | | Descriptor: | ASLTVS segment from Light-Chain Variable Domain, Lambda Mcg | | Authors: | Brumshtein, B, Esswein, S.R, Sawaya, M.R, Eisenberg, D.S. | | Deposit date: | 2018-05-24 | | Release date: | 2018-10-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Identification of two principal amyloid-driving segments in variable domains of Ig light chains in systemic light-chain amyloidosis.
J. Biol. Chem., 293, 2018
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4UWL
 | | 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-[(3R)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-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: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 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.
J.Med.Chem., 58, 2015
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3L8P
 | | Crystal structure of cytoplasmic kinase domain of Tie2 complexed with inhibitor CEP11207 | | Descriptor: | 2-methyl-11-(1-methylethyl)-8-[(2S)-tetrahydro-2H-pyran-2-yl]-2,11,12,13-tetrahydro-4H-indazolo[5,4-a]pyrrolo[3,4-c]carbazol-4-one, Angiopoietin-1 receptor | | Authors: | Fedorov, A.A, Fedorov, E.V, Pauletti, D, Meyer, S.L, Hudkins, R.L, Almo, S.C. | | Deposit date: | 2010-01-03 | | Release date: | 2010-10-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of cytoplasmic kinase domain of Tie2 complexed with inhibitor CEP11207
To be Published
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3L8Y
 | | Complex of Ras with cyclen | | Descriptor: | 1,4,7,10-tetraazacyclododecane, CALCIUM ION, GTPase HRas, ... | | Authors: | Rosnizeck, I.C, Graf, T, Spoerner, M, Traenkle, J, Filchtinski, D, Herrmann, C, Gremer, L, Vetter, I.R, Wittinghofer, A, Koenig, B, Kalbitzer, H.R. | | Deposit date: | 2010-01-04 | | Release date: | 2011-01-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Stabilizing a weak binding state for effectors in the human ras protein by cyclen complexes
Angew.Chem.Int.Ed.Engl., 49, 2010
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4UXH
 | | Leishmania major Thymidine Kinase in complex with AP5dT | | Descriptor: | P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, THYMIDINE KINASE, ZINC ION | | Authors: | Timm, J, Bosch-Navarrete, C, Recio, E, Nettleship, J.E, Rada, H, Gonzalez-Pacanowska, D, Wilson, K.S. | | Deposit date: | 2014-08-22 | | Release date: | 2015-05-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and Kinetic Characterization of Thymidine Kinase from Leishmania Major.
Plos Negl Trop Dis, 9, 2015
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6QZ0
 | | The cryo-EM structure of the head of the genome empited bacteriophage phi29 | | Descriptor: | Capsid fiber protein, Major capsid protein | | Authors: | Xu, J, Wang, D, Gui, M, Xiang, Y. | | Deposit date: | 2019-03-10 | | Release date: | 2019-06-12 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural assembly of the tailed bacteriophage φ29.
Nat Commun, 10, 2019
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4UWH
 | | 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-[(2R)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SODIUM 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: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | 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.
J.Med.Chem., 58, 2015
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6RB9
 | | The pore structure of Clostridium perfringens epsilon toxin | | Descriptor: | Epsilon-toxin type B | | Authors: | Savva, C.G, Clark, A.R, Naylor, C.E, Popoff, M.R, Moss, D.S, Basak, A.K, Titball, R.W, Bokori-Brown, M. | | Deposit date: | 2019-04-09 | | Release date: | 2019-06-19 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | The pore structure of Clostridium perfringens epsilon toxin.
Nat Commun, 10, 2019
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4V2Y
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4V30
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4V31
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Deoxyuridine | | Descriptor: | 2'-DEOXYURIDINE, CEREBLON ISOFORM 4, CITRATE ANION, ... | | Authors: | Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B. | | Deposit date: | 2014-10-15 | | Release date: | 2014-12-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Thalidomide Mimics Uridine Binding to an Aromatic Cage in Cereblon.
J.Struct.Biol., 188, 2014
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4V2Z
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4UZM
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4WH7
 | | Structure of the CDC25B Phosphatase Catalytic Domain with Bound Ligand | | Descriptor: | 2-fluoro-4-hydroxybenzonitrile, GLYCEROL, M-phase inducer phosphatase 2, ... | | Authors: | Lund, G.L, Dudkin, S, Borkin, D, Ni, W, Grembecka, J, Cierpicki, T. | | Deposit date: | 2014-09-20 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Inhibition of CDC25B Phosphatase Through Disruption of Protein-Protein Interaction.
Acs Chem.Biol., 10, 2015
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4WH9
 | | Structure of the CDC25B Phosphatase Catalytic Domain with Bound Inhibitor | | Descriptor: | 2-[(2-cyano-3-fluoro-5-hydroxyphenyl)sulfanyl]ethanesulfonic acid, GLYCEROL, M-phase inducer phosphatase 2, ... | | Authors: | Lund, G.L, Dudkin, S, Borkin, D, Ni, W, Grembecka, J, Cierpicki, T. | | Deposit date: | 2014-09-20 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Inhibition of CDC25B Phosphatase Through Disruption of Protein-Protein Interaction.
Acs Chem.Biol., 10, 2015
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