8T21
 
 | | Cryo-EM structure of mink variant Y453F trimeric spike protein | | Descriptor: | Spike glycoprotein | | Authors: | Ahn, H.M, Calderon, B, Fan, X, Gao, Y, Horgan, N, Zhou, B, Liang, B. | | Deposit date: | 2023-06-05 | | Release date: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural basis of the American mink ACE2 binding by Y453F trimeric spike glycoproteins of SARS-CoV-2.
J Med Virol, 95, 2023
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8T22
 | | Cryo-EM structure of mink variant Y453F trimeric spike protein bound to one mink ACE2 receptors at downRBD conformation | | Descriptor: | Angiotensin-converting enzyme, Spike glycoprotein | | Authors: | Ahn, H.M, Calderon, B, Fan, X, Gao, Y, Horgan, N, Zhou, B, Liang, B. | | Deposit date: | 2023-06-05 | | Release date: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (3.83 Å) | | Cite: | Structural basis of the American mink ACE2 binding by Y453F trimeric spike glycoproteins of SARS-CoV-2.
J Med Virol, 95, 2023
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5KM8
 | | Human Histidine Triad Nucleotide Binding Protein 2 (hHint2) Cidofovir complex | | Descriptor: | ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Maize, K.M, Finzel, B.C. | | Deposit date: | 2016-06-26 | | Release date: | 2017-06-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
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1RF9
 | | Crystal structure of cytochrome P450-cam with a fluorescent probe D-4-AD (Adamantane-1-carboxylic acid-5-dimethylamino-naphthalene-1-sulfonylamino-butyl-amide) | | Descriptor: | 1,2-ETHANEDIOL, ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-BUTYL-AMIDE, Cytochrome P450-cam, ... | | Authors: | Hays, A.-M.A, Dunn, A.R, Gray, H.B, Stout, C.D, Goodin, D.B. | | Deposit date: | 2003-11-07 | | Release date: | 2004-11-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Conformational States of Cytochrome P450cam Revealed by Trapping of synthetic Molecular Wires
J.Mol.Biol., 344, 2004
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5WNX
 | | DNA polymerase beta substrate complex with incoming 6-TdGTP | | Descriptor: | 2-amino-9-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-1,9-dihydro-6H-purine-6-thione, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Schaich, M.A, Smith, M.R, Cloud, A.S, Holloran, S.M, Freudenthal, B.D. | | Deposit date: | 2017-08-01 | | Release date: | 2017-09-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structures of a DNA Polymerase Inserting Therapeutic Nucleotide Analogues.
Chem. Res. Toxicol., 30, 2017
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4ZNH
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 2-Fluoro-substituted OBHS derivative | | Descriptor: | 2-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-05-04 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.933 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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2AN6
 | | Protein-peptide complex | | Descriptor: | Ubiquitin ligase SIAH1A, ZINC ION, peptide from Phyllopod | | Authors: | House, C.M, Hancock, N.C, Moller, A, Cromer, B.A, Fedorov, V, Bowtell, D.D.L, Parker, M.W, Polekhina, G. | | Deposit date: | 2005-08-11 | | Release date: | 2006-05-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Elucidation of the substrate binding site of Siah ubiquitin ligase
Structure, 14, 2006
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2YRG
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1R2C
 | | PHOTOSYNTHETIC REACTION CENTER BLASTOCHLORIS VIRIDIS (ATCC) | | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | | Authors: | Baxter, R.H, Ponomarenko, N, Pahl, R, Srajer, V, Moffat, K, Norris, J.R. | | Deposit date: | 2003-09-26 | | Release date: | 2004-04-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Time-resolved crystallographic studies of light-induced structural changes in the photosynthetic reaction center.
Proc.Natl.Acad.Sci.USA, 101, 2004
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6D4D
 | | Crystal structure of the PTP epsilon D1 domain | | Descriptor: | Receptor-type tyrosine-protein phosphatase epsilon | | Authors: | Lountos, G.T, Raran-Kurussi, S, Zhao, B.M, Dyas, B.K, Austin, B.P, Burke Jr, T.R, Ulrich, R.G, Waugh, D.S. | | Deposit date: | 2018-04-18 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.765 Å) | | Cite: | High-resolution crystal structures of the D1 and D2 domains of protein tyrosine phosphatase epsilon for structure-based drug design.
Acta Crystallogr D Struct Biol, 74, 2018
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2YYR
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6D8W
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2B0U
 | | The Structure of the Follistatin:Activin Complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Follistatin, IRIDIUM (III) ION, ... | | Authors: | Thompson, T.B, Lerch, T.F, Cook, R.W, Woodruff, T.K, Jardetzky, T.S. | | Deposit date: | 2005-09-14 | | Release date: | 2005-10-11 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Structure of the Follistatin:Activin Complex Reveals Antagonism of Both Type I and Type II Receptor Binding.
Dev.Cell, 9, 2005
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5W7S
 | | Crystal structure of OxaC in complex with sinefungin and meleagrin | | Descriptor: | (3E,7aR,12aS)-6-hydroxy-3-[(1H-imidazol-4-yl)methylidene]-12-methoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione, OxaC, SINEFUNGIN | | Authors: | Newmister, S.A, Romminger, S, Schmidt, J.J, Williams, R.M, Smith, J.L, Berlinck, R.G.S, Sherman, D.H. | | Deposit date: | 2017-06-20 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.948 Å) | | Cite: | Unveiling sequential late-stage methyltransferase reactions in the meleagrin/oxaline biosynthetic pathway.
Org. Biomol. Chem., 16, 2018
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4JYL
 | | Crystal structure of enoyl-CoA hydratase from Thermoplasma volcanium GSS1 | | Descriptor: | CHLORIDE ION, Enoyl-CoA hydratase, SULFATE ION | | Authors: | Shabalin, I.G, Cooper, D.R, Majorek, K.A, Mikolajczak, K, Porebski, P.J, Stead, M, Hillerich, B.S, Ahmed, M, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-03-29 | | Release date: | 2013-04-17 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Crystal structure of enoyl-CoA hydratase from Thermoplasma volcanium GSS1
To be Published
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8SYJ
 | | Structure of apurinic/apyrimidinic DNA lyase TK0353 from Thermococcus kodakarensis (Iodide crystal form) | | Descriptor: | GLYCEROL, IODIDE ION, SULFATE ION, ... | | Authors: | Eckenroth, B.E, Gardner, A.F, Doublie, S. | | Deposit date: | 2023-05-25 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Thermococcus kodakarensis TK0353 is a novel AP lyase with a new fold.
J.Biol.Chem., 300, 2023
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5WTH
 | | Cryo-EM structure for Hepatitis A virus complexed with FAB | | Descriptor: | FAB Heavy Chain, FAB Light Chain, Polyprotein, ... | | Authors: | Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z. | | Deposit date: | 2016-12-12 | | Release date: | 2017-01-25 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4UWF
 | | 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
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4AYL
 | | Molecular structure of a metal-independent bacterial glycosyltransferase that catalyzes the synthesis of histo-blood group A antigen | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BOGT-METAL-INDEPENDENT GLYCOSYLTRANSFERASE, CALCIUM ION, ... | | Authors: | Thiyagarajan, N, Pham, T.T.K, Stinsonb, B, Sundriyala, A, Tumbale, P, Lizotte-Waniewskib, M, Brewb, K, Acharya, K.R. | | Deposit date: | 2012-06-21 | | Release date: | 2012-12-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.919 Å) | | Cite: | Structure of a Metal-Independent Bacterial Glycosyltransferase that Catalyzes the Synthesis of Histo-Blood Group a Antigen
Sci.Rep., 2, 2012
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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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4UWG
 | | 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
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6DRG
 | | NMR solution structure of wild type hFABP1 with GW7647 | | Descriptor: | 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid, Fatty acid-binding protein, liver | | Authors: | Scanlon, M.J, Mohanty, B, Doak, B.C, Patil, R. | | Deposit date: | 2018-06-11 | | Release date: | 2018-12-26 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists.
J. Biol. Chem., 294, 2019
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5WO0
 | | DNA polymerase beta substrate complex with incoming 5-FodUTP | | Descriptor: | 2'-deoxy-5-formyluridine 5'-(tetrahydrogen triphosphate), CALCIUM ION, CHLORIDE ION, ... | | Authors: | Schaich, M.A, Smith, M.R, Cloud, A.S, Holloran, S.M, Freudenthal, B.D. | | Deposit date: | 2017-08-01 | | Release date: | 2017-09-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structures of a DNA Polymerase Inserting Therapeutic Nucleotide Analogues.
Chem. Res. Toxicol., 30, 2017
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5WTF
 | | Cryo-EM structure for Hepatitis A virus empty particle | | Descriptor: | VP0, VP1, VP3 | | Authors: | Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z. | | Deposit date: | 2016-12-11 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4UZ8
 | | The SeMet structure of the family 46 carbohydrate-binding module (CBM46) of endo-beta-1,4-glucanase B (Cel5B) from Bacillus halodurans | | Descriptor: | ENDO-BETA-1,4-GLUCANASE (CELULASE B), SULFATE ION | | Authors: | Venditto, I, Santos, H, Ferreira, L.M.A, Sakka, K, Fontes, C.M.G.A, Najmudin, S. | | Deposit date: | 2014-09-04 | | Release date: | 2015-02-25 | | Last modified: | 2015-05-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Family 46 Carbohydrate-Binding Modules Contribute to the Enzymatic Hydrolysis of Xyloglucan and Beta-1,3-1,4-Glucans Through Distinct Mechanisms.
J.Biol.Chem., 290, 2015
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