4TZR
| Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1561 | Descriptor: | 1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1 | Authors: | Merritt, E.A. | Deposit date: | 2014-07-10 | Release date: | 2014-08-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis. J. Med. Chem., 59, 2016
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7C0J
| Crystal structure of chimeric mutant of GH5 in complex with Z-DNA | Descriptor: | DNA (5'-D(*TP*CP*GP*CP*GP*CP*G)-3'), Histone H5,Double-stranded RNA-specific adenosine deaminase | Authors: | Choi, H.J, Park, C.H. | Deposit date: | 2020-05-01 | Release date: | 2020-12-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Dual conformational recognition by Z-DNA binding protein is important for the B-Z transition process. Nucleic Acids Res., 48, 2020
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5J1A
| Antigen presenting molecule | Descriptor: | 3-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol, Beta-2-microglobulin, T-cell surface glycoprotein CD1a | Authors: | Yongqing, T, Rossjohn, J, Le Nours, J, Marquez, E, Winau, F. | Deposit date: | 2016-03-29 | Release date: | 2016-08-03 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | CD1a on Langerhans cells controls inflammatory skin disease. Nat. Immunol., 17, 2016
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7M78
| Room Temperature XFEL Crystallography reveals asymmetry in the vicinity of the two phylloquinones in Photosystem I | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Keable, S.M, Simon, P.S, Kolsch, A, Kern, J, Yachandra, V.K, Zouni, A, Yano, J. | Deposit date: | 2021-03-26 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I. Sci Rep, 11, 2021
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7M75
| Room Temperature XFEL Crystallography reveals asymmetry in the vicinity of the two phylloquinones in Photosystem I | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Keable, S.M, Simon, P.S, Kolsch, A, Kern, J, Yachandra, V.K, Zouni, A, Yano, J. | Deposit date: | 2021-03-26 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I. Sci Rep, 11, 2021
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7M76
| Room Temperature XFEL Crystallography reveals asymmetry in the vicinity of the two phylloquinones in Photosystem I | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Keable, S.M, Simon, P.S, Kolsch, A, Kern, J, Yachandra, V.K, Zouni, A, Yano, J. | Deposit date: | 2021-03-26 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I. Sci Rep, 11, 2021
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5K8Q
| Crystal Structure of Calcium-loaded Calmodulin in complex with STRA6 CaMBP2-site peptide. | Descriptor: | CALCIUM ION, Calmodulin, IMIDAZOLE, ... | Authors: | Stowe, S.D, Clarke, O.B, Cavalier, M.C, Godoy-Ruiz, R, Mancia, F, Weber, D.J. | Deposit date: | 2016-05-30 | Release date: | 2016-08-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.739 Å) | Cite: | Structure of the STRA6 receptor for retinol uptake. Science, 353, 2016
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8HTG
| Crystal structure of Golf in complex with GTP-gamma S and Mg | Descriptor: | 1,2-ETHANEDIOL, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(olf) subunit alpha, ... | Authors: | Kang, H, Choi, H.-J. | Deposit date: | 2022-12-21 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Understanding the molecular mechanisms of odorant binding and activation of the human OR52 family. Nat Commun, 14, 2023
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8D73
| Crystal Structure of EGFR LRTM with compound 7 | Descriptor: | (3S,4R)-3-fluoro-1-(4-{[4-(methylamino)-1-(propan-2-yl)pyrido[3,4-d]pyridazin-7-yl]amino}pyrimidin-2-yl)piperidin-4-ol, Epidermal growth factor receptor, GLYCEROL | Authors: | Kim, J.L. | Deposit date: | 2022-06-07 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Discovery of BLU-945, a Reversible, Potent, and Wild-Type-Sparing Next-Generation EGFR Mutant Inhibitor for Treatment-Resistant Non-Small-Cell Lung Cancer. J.Med.Chem., 65, 2022
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8D76
| Crystal Structure of EGFR LRTM with compound 24 | Descriptor: | (3S,4R)-3-fluoro-1-(4-{[8-{3-[(methanesulfonyl)methyl]azetidin-1-yl}-5-(propan-2-yl)-2,7-naphthyridin-3-yl]amino}pyrimidin-2-yl)-3-methylpiperidin-4-ol, Epidermal growth factor receptor, GLYCEROL | Authors: | Kim, J.L. | Deposit date: | 2022-06-07 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of BLU-945, a Reversible, Potent, and Wild-Type-Sparing Next-Generation EGFR Mutant Inhibitor for Treatment-Resistant Non-Small-Cell Lung Cancer. J.Med.Chem., 65, 2022
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8T1R
| Crystal structure of human CPSF73 catalytic segment in complex with compound 2 | Descriptor: | 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide, CHLORIDE ION, Cleavage and polyadenylation specificity factor subunit 3, ... | Authors: | Huang, J, Tong, L. | Deposit date: | 2023-06-02 | Release date: | 2023-11-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Anticancer benzoxaboroles block pre-mRNA processing by directly inhibiting CPSF3. Cell Chem Biol, 31, 2024
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8T1Q
| Crystal structure of human CPSF73 catalytic segment in complex with compound 1 | Descriptor: | 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide, CHLORIDE ION, Cleavage and polyadenylation specificity factor subunit 3, ... | Authors: | Huang, J, Tong, L. | Deposit date: | 2023-06-02 | Release date: | 2023-11-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Anticancer benzoxaboroles block pre-mRNA processing by directly inhibiting CPSF3. Cell Chem Biol, 31, 2024
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4UAB
| Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound ethanolamine | Descriptor: | CHLORIDE ION, ETHANOLAMINE, Twin-arginine translocation pathway signal | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-08-08 | Release date: | 2014-09-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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5J1M
| Crystal structure of Csd1-Csd2 dimer II | Descriptor: | ToxR-activated gene (TagE), ZINC ION | Authors: | An, D.R, Suh, S.W. | Deposit date: | 2016-03-29 | Release date: | 2016-10-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural Basis of the Heterodimer Formation between Cell Shape-Determining Proteins Csd1 and Csd2 from Helicobacter pylori Plos One, 11, 2016
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5J1K
| Crystal structure of Csd2-Csd2 dimer | Descriptor: | GLYCEROL, ToxR-activated gene (TagE) | Authors: | An, D.R, Suh, S.W. | Deposit date: | 2016-03-29 | Release date: | 2016-10-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural Basis of the Heterodimer Formation between Cell Shape-Determining Proteins Csd1 and Csd2 from Helicobacter pylori Plos One, 11, 2016
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5J1L
| Crystal structure of Csd1-Csd2 dimer I | Descriptor: | ToxR-activated gene (TagE), ZINC ION | Authors: | An, D.R, Suh, S.W. | Deposit date: | 2016-03-29 | Release date: | 2016-10-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural Basis of the Heterodimer Formation between Cell Shape-Determining Proteins Csd1 and Csd2 from Helicobacter pylori Plos One, 11, 2016
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8GVX
| Cryo-EM structure of the human TRPC5 ion channel in complex with G alpha i3 subunits, class2 | Descriptor: | (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Won, J, Jeong, H, Lee, H.H. | Deposit date: | 2022-09-16 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.91 Å) | Cite: | Molecular architecture of the G alpha i -bound TRPC5 ion channel. Nat Commun, 14, 2023
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8GVW
| Cryo-EM structure of the human TRPC5 ion channel in lipid nanodiscs, class2 | Descriptor: | (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, ... | Authors: | Won, J, Jeong, H, Lee, H.H. | Deposit date: | 2022-09-16 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | Molecular architecture of the G alpha i -bound TRPC5 ion channel. Nat Commun, 14, 2023
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3UY5
| crystal structure of Eis from Mycobacterium tuberculosis | Descriptor: | Enhanced intracellular survival protein | Authors: | Kim, K.H, Suh, S.W. | Deposit date: | 2011-12-05 | Release date: | 2012-05-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mycobacterium tuberculosis Eis protein initiates suppression of host immune responses by acetylation of DUSP16/MKP-7 Proc.Natl.Acad.Sci.USA, 2012
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5Z9G
| Crystal structure of KAI2 | Descriptor: | Probable esterase KAI2 | Authors: | Kim, K.L, Cha, J.S, Soh, M.S, Cho, H.S. | Deposit date: | 2018-02-03 | Release date: | 2018-08-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | A missense allele of KARRIKIN-INSENSITIVE2 impairs ligand-binding and downstream signaling in Arabidopsis thaliana. J. Exp. Bot., 69, 2018
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5Z9H
| Crystal structure of KAI2_ply2(A219V) | Descriptor: | Probable esterase KAI2 | Authors: | Kim, K.L, Cha, J.S, Soh, M.S, Cho, H.S. | Deposit date: | 2018-02-03 | Release date: | 2018-08-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | A missense allele of KARRIKIN-INSENSITIVE2 impairs ligand-binding and downstream signaling in Arabidopsis thaliana. J. Exp. Bot., 69, 2018
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6A6A
| VanYB in complex with D-Alanine | Descriptor: | ACETATE ION, D-ALANINE, D-alanyl-D-alanine carboxypeptidase, ... | Authors: | Kim, H.S, Hahn, H. | Deposit date: | 2018-06-27 | Release date: | 2018-09-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structural basis for the substrate recognition of peptidoglycan pentapeptides by Enterococcus faecalis VanYB. Int. J. Biol. Macromol., 119, 2018
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4WG5
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4WG3
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4WG4
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