4ZEA
 
 | | Endothiapepsin in complex with fragment B91 | | Descriptor: | 1,2-ETHANEDIOL, 2-IMINOBIOTIN, ACETATE ION, ... | | Authors: | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | Deposit date: | 2015-04-20 | | Release date: | 2016-05-04 | | Last modified: | 2016-05-11 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
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5VLG
 | | Crystal structure of EilR in complex with malachite green | | Descriptor: | MALACHITE GREEN, Regulatory protein TetR | | Authors: | Pereira, J.H, Ruegg, T.L, Chen, J, Novichkov, P, DeGiovani, A, Tomaleri, G.P, Singer, S, Simmons, B, Thelen, M, Adams, P.D. | | Deposit date: | 2017-04-25 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.932 Å) | | Cite: | Jungle Express is a versatile repressor system for tight transcriptional control.
Nat Commun, 9, 2018
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4WAB
 | | Crystal structure of mPGES1 solved by native-SAD phasing | | Descriptor: | 2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-N-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide, GLUTATHIONE, Prostaglandin E synthase,Leukotriene C4 synthase | | Authors: | Weinert, T, Li, D, Howe, N, Caffrey, M, Wang, M. | | Deposit date: | 2014-08-29 | | Release date: | 2014-12-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.704 Å) | | Cite: | Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
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9GH3
 | | pleckstrin homology domain interacting protein with crystallization epitope mutations L1408N:R1409E | | Descriptor: | 1,2-ETHANEDIOL, PH-interacting protein | | Authors: | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-08-14 | | Release date: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To Be Published
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4UXG
 | | Crystal structure of the carboxy-terminal region of the bacteriophage T4 proximal long tail fibre protein gp34, R32 native crystal | | Descriptor: | LARGE TAIL FIBER PROTEIN P34 | | Authors: | Granell, M, Alvira, S, Garcia-Doval, C, Singh, A.K, van Raaij, M.J. | | Deposit date: | 2014-08-22 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structure of the Carboxy-Terminal Region of the Bacteriophage T4 Proximal Long Tail Fiber Protein Gp34.
Viruses, 9, 2017
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6ZTD
 | | Crystal structure of the BCR Fab fragment from subset #169 case P6540 | | Descriptor: | Heavy chain of the Fab fragment from BCR derived from the P6540 CLL clone, Light chain of the Fab fragment from BCR derived from the P6540 CLL clone | | Authors: | Carriles, A.A, Minici, C, Degano, M. | | Deposit date: | 2020-07-18 | | Release date: | 2021-05-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.43 Å) | | Cite: | Higher-order immunoglobulin repertoire restrictions in CLL: the illustrative case of stereotyped subsets 2 and 169.
Blood, 137, 2021
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5VHD
 | | DHX36 with an N-terminal truncation bound to ADP-AlF4 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DEAH (Asp-Glu-Ala-His) box polypeptide 36, TETRAFLUOROALUMINATE ION | | Authors: | Chen, M, Ferre-D'Amare, A. | | Deposit date: | 2017-04-13 | | Release date: | 2018-06-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural basis of G-quadruplex unfolding by the DEAH/RHA helicase DHX36.
Nature, 558, 2018
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8P9R
 | | Structure of the periplasmic domain of ExbD from E. coli in complex with TonB | | Descriptor: | Biopolymer transport protein ExbD, Protein TonB | | Authors: | Zinke, M, Mechaly, A, Lejeune, M, Haouz, A, Izadi-Pruneyre, N. | | Deposit date: | 2023-06-06 | | Release date: | 2023-09-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Ton motor conformational switch and peptidoglycan role in bacterial nutrient uptake.
Nat Commun, 15, 2024
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5DKO
 | | The structure of Escherichia coli ZapD | | Descriptor: | Cell division protein ZapD, SULFATE ION | | Authors: | Wroblewski, C, Kimber, M.S. | | Deposit date: | 2015-09-03 | | Release date: | 2016-04-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and Mutational Analyses of Escherichia coli ZapD Reveal Charged Residues Involved in FtsZ Filament Bundling.
J.Bacteriol., 198, 2016
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4UUQ
 | | Crystal structure of human mono-glyceride lipase in complex with SAR127303 | | Descriptor: | 4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid, MONOGLYCERIDE LIPASE | | Authors: | Griebel, G, Pichat, P, Beeske, S, Leroy, T, Redon, N, Francon, D, Bert, L, Even, L, Lopez-Grancha, M, Tolstykh, T, Sun, F, Yu, Q, Brittain, S, Arlt, H, He, T, Zhang, B, Wiederschain, D, Bertrand, T, Houtman, J, Rak, A, Vallee, F, Michot, N, Auge, F, Menet, V, Bergis, O.E, George, P, Avenet, P, Mikol, V, Didier, M, Escoubet, J. | | Deposit date: | 2014-07-30 | | Release date: | 2015-01-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Selective Blockade of the Hydrolysis of the Endocannabinoid 2-Arachidonoylglycerol Impairs Learning and Memory Performance While Producing Antinociceptive Activity in Rodents.
Sci.Rep., 5, 2015
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1VSN
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4UXF
 | | Crystal structure of the carboxy-terminal region of the bacteriophage T4 proximal long tail fibre protein gp34, P21 native crystal | | Descriptor: | GLYCEROL, LARGE TAIL FIBER PROTEIN P34 | | Authors: | Granell, M, Alvira, S, Garcia-Doval, C, Singh, A.K, van Raaij, M.J. | | Deposit date: | 2014-08-22 | | Release date: | 2015-12-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of the Carboxy-Terminal Region of the Bacteriophage T4 Proximal Long Tail Fiber Protein Gp34.
Viruses, 9, 2017
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6XG4
 | | X-ray structure of Escherichia coli dihydrofolate reductase L28R mutant in complex with trimethoprim | | Descriptor: | CHLORIDE ION, Dihydrofolate reductase, GLYCEROL, ... | | Authors: | Gaszek, I.K, Manna, M.S, Borek, D, Toprak, E. | | Deposit date: | 2020-06-16 | | Release date: | 2021-03-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A trimethoprim derivative impedes antibiotic resistance evolution.
Nat Commun, 12, 2021
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6XG5
 | | X-ray structure of Escherichia coli dihydrofolate reductase in complex with trimethoprim | | Descriptor: | CHLORIDE ION, Dihydrofolate reductase, GLYCEROL, ... | | Authors: | Gaszek, I.K, Manna, M.S, Borek, D, Toprak, E. | | Deposit date: | 2020-06-16 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A trimethoprim derivative impedes antibiotic resistance evolution.
Nat Commun, 12, 2021
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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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4UWK
 | | 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: | (2S)-1-[(5-chloro-2-thienyl)methyl]-8-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidin-6-one, GLYCEROL, 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: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.83 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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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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5X9A
 | | Crystal structure of calaxin with calcium | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Calaxin | | Authors: | Shojima, T, Hou, F, Takahashi, Y, Okai, M, Mizuno, K, Inaba, K, Miyakawa, T, Tanokura, M. | | Deposit date: | 2017-03-06 | | Release date: | 2018-03-14 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of a Ca2+-dependent regulator of flagellar motility reveals the open-closed structural transition
Sci Rep, 8, 2018
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5VHC
 | | DHX36 with an N-terminal truncation bound to ADP-BeF3 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DEAH (Asp-Glu-Ala-His) box polypeptide 36, ... | | Authors: | Chen, M, Ferre-D'Amare, A. | | Deposit date: | 2017-04-12 | | Release date: | 2018-06-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structural basis of G-quadruplex unfolding by the DEAH/RHA helicase DHX36.
Nature, 558, 2018
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4WID
 | | Crystal structure of the immediate-early 1 protein (IE1) at 2.31 angstrom (tetragonal form after crystal dehydration) | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, RhUL123 | | Authors: | Klingl, S, Scherer, M, Sevvana, M, Muller, Y.A, Stamminger, T. | | Deposit date: | 2014-09-25 | | Release date: | 2014-10-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Crystal Structure of Cytomegalovirus IE1 Protein Reveals Targeting of TRIM Family Member PML via Coiled-Coil Interactions.
Plos Pathog., 10, 2014
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5XFM
 | | Crystal structure of beta-arabinopyranosidase | | Descriptor: | Alpha-glucosidase, CALCIUM ION | | Authors: | Kato, K, Okuyama, M, Yao, M. | | Deposit date: | 2017-04-10 | | Release date: | 2018-02-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A novel glycoside hydrolase family 97 enzyme: Bifunctional beta-l-arabinopyranosidase/ alpha-galactosidase from Bacteroides thetaiotaomicron.
Biochimie, 142, 2017
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7CW2
 | | Cryo-EM structure of Chikungunya virus in complex with Fab fragments of mAb CHK-263 (subregion around icosahedral 5-fold vertex) | | Descriptor: | Capsid protein, E1 glycoprotein, E2 glycoprotein, ... | | Authors: | Zhou, Q.F, Fox, J.M, Earnest, J.T, Ng, T.S, Kim, A.S, Fibriansah, G, Kostyuchenko, V.A, Shu, B, Diamond, M.S, Lok, S.M. | | Deposit date: | 2020-08-27 | | Release date: | 2020-11-04 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Structural basis of Chikungunya virus inhibition by monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7CVZ
 | | Cryo-EM structure of Chikungunya virus in complex with Fab fragments of mAb CHK-263 | | Descriptor: | Capsid protein, E1 glycoprotein, E2 glycoprotein, ... | | Authors: | Zhou, Q.F, Fox, J.M, Earnest, J.T, Ng, T.S, Kim, A.S, Fibriansah, G, Kostyuchenko, V.A, Shu, B, Diamond, M.S, Lok, S.M. | | Deposit date: | 2020-08-27 | | Release date: | 2020-11-04 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Structural basis of Chikungunya virus inhibition by monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7CVY
 | | Cryo-EM structure of Chikungunya virus in complex with Fab fragments of mAb CHK-124 | | Descriptor: | Capsid protein, E1 glycoprotein, E2 glycoprotein, ... | | Authors: | Zhou, Q.F, Fox, J.M, Earnest, J.T, Ng, T.S, Kim, A.S, Fibriansah, G, Kostyuchenko, V.A, Shu, B, Diamond, M.S, Lok, S.M. | | Deposit date: | 2020-08-27 | | Release date: | 2020-11-04 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (5.2 Å) | | Cite: | Structural basis of Chikungunya virus inhibition by monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 117, 2020
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1A2B
 | | HUMAN RHOA COMPLEXED WITH GTP ANALOGUE | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, TRANSFORMING PROTEIN RHOA | | Authors: | Ihara, K, Muraguchi, S, Kato, M, Shimizu, T, Shirakawa, M, Kuroda, S, Kaibuchi, K, Hakoshima, T. | | Deposit date: | 1997-12-26 | | Release date: | 1998-06-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of human RhoA in a dominantly active form complexed with a GTP analogue.
J.Biol.Chem., 273, 1998
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