5LTY
 
 | | Homeobox transcription factor CDX2 bound to methylated DNA | | Descriptor: | DNA (5'-D(P*GP*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*CP*CP*TP*CP*C)-3'), Homeobox protein CDX-2 | | Authors: | Morgunova, E, Popov, A, Taipale, J. | | Deposit date: | 2016-09-07 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Impact of cytosine methylation on DNA binding specificities of human transcription factors.
Science, 356, 2017
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6PLS
 | | CryoEM structure of zebra fish alpha-1 glycine receptor bound with taurine in nanodisc, desensitized state | | Descriptor: | 2-AMINOETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alphaZ1, ... | | Authors: | Yu, J, Zhu, H, Gouaux, E. | | Deposit date: | 2019-07-01 | | Release date: | 2021-01-06 | | Last modified: | 2021-07-21 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Mechanism of gating and partial agonist action in the glycine receptor.
Cell, 184, 2021
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8B39
 | | Small molecular stabilizer for ERalpha and 14-3-3 (1080299) | | Descriptor: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[(2~{S},6~{R})-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ... | | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | | Deposit date: | 2022-09-16 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
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6ZZE
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6PLV
 | | CryoEM structure of zebra fish alpha-1 glycine receptor bound with GABA in nanodisc, closed state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, Glycine receptor subunit alphaZ1, ... | | Authors: | Yu, J, Zhu, H, Gouaux, E. | | Deposit date: | 2019-07-01 | | Release date: | 2021-01-06 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Mechanism of gating and partial agonist action in the glycine receptor.
Cell, 184, 2021
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7UXX
 | | Crystal structure of SARS-CoV-2 nucleocapsid protein C-terminal domain | | Descriptor: | ACETATE ION, GLYCEROL, Nucleoprotein | | Authors: | Bezerra, E.H.S, Tonoli, C.C.C, Soprano, A.S, Franchini, K.G, Trivella, D.B.B, Benedetti, C.E. | | Deposit date: | 2022-05-06 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery and structural characterization of chicoric acid as a SARS-CoV-2 nucleocapsid protein ligand and RNA binding disruptor.
Sci Rep, 12, 2022
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7AGF
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6PLU
 | | CryoEM structure of zebra fish alpha-1 glycine receptor bound with GABA in nanodisc, desensitized state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, Glycine receptor subunit alphaZ1, ... | | Authors: | Yu, J, Zhu, H, Gouaux, E. | | Deposit date: | 2019-07-01 | | Release date: | 2021-01-06 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Mechanism of gating and partial agonist action in the glycine receptor.
Cell, 184, 2021
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6YAN
 | | Mammalian 48S late-stage translation initiation complex with histone 4 mRNA | | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S12, 40S ribosomal protein S21, ... | | Authors: | Bochler, A, Simonetti, A, Guca, E, Hashem, Y. | | Deposit date: | 2020-03-12 | | Release date: | 2020-04-08 | | Last modified: | 2020-04-22 | | Method: | ELECTRON MICROSCOPY (3.48 Å) | | Cite: | Structural Insights into the Mammalian Late-Stage Initiation Complexes.
Cell Rep, 31, 2020
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7B6J
 | | Crystal structure of MurE from E.coli in complex with minifrag succinimide | | Descriptor: | 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase, ... | | Authors: | Koekemoer, L, Steindel, M, Fairhead, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-07 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystal structure of MurE from E.coli
To Be Published
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8BIK
 | | Crystal structure of human AMPK heterotrimer in complex with allosteric activator C455 | | Descriptor: | (3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-[[6-chloranyl-5-[4-[4-[[dimethyl(oxidanyl)-$l^{4}-sulfanyl]amino]phenyl]phenyl]-3~{H}-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-3-ol, 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, ... | | Authors: | Schimpl, M, Mather, K.M, Boland, M.L, Rivers, E.L, Srivastava, A, Hemsley, P, Robinson, J, Wan, P.T, Hansen, J, Read, J.A, Trevaskis, J.L, Smith, D.M. | | Deposit date: | 2022-11-02 | | Release date: | 2024-05-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Direct beta 1/ beta 2 AMPK activation reduces liver steatosis but not fibrosis in a mouse model of non-alcoholic steatohepatitis
Biorxiv, 2024
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6YBL
 | | Structure of MBP-Mcl-1 in complex with compound 9m | | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Dokurno, P, Surgenor, A.E, Murray, J.B. | | Deposit date: | 2020-03-17 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor.
J.Med.Chem., 63, 2020
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6YCF
 | | Structure the bromelain protease from Ananas comosus in complex with the E64 inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, FBSB, ... | | Authors: | Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F. | | Deposit date: | 2020-03-18 | | Release date: | 2020-11-25 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
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7B6G
 | | Crystal structure of MurE from E.coli in complex with Z1675346324 | | Descriptor: | DIMETHYL SULFOXIDE, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase, trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol | | Authors: | Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-07 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.937 Å) | | Cite: | Crystal structure of MurE from E.coli
To Be Published
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6YCX
 | | Plasmodium falciparum Myosin A full-length, pre-powerstroke state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin A tail domain interacting protein, ... | | Authors: | Moussaoui, D, Robblee, J.P, Auguin, D, Krementsova, E.B, Robert-Paganin, J, Trybus, K.M, Houdusse, A. | | Deposit date: | 2020-03-19 | | Release date: | 2020-11-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.99 Å) | | Cite: | Full-length Plasmodium falciparum myosin A and essential light chain PfELC structures provide new anti-malarial targets.
Elife, 9, 2020
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7B3E
 | | Crystal structure of myricetin covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | | Descriptor: | 1,2-ETHANEDIOL, 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, CHLORIDE ION, ... | | Authors: | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | | Deposit date: | 2020-11-30 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Identification of Inhibitors of SARS-CoV-2 3CL-Pro Enzymatic Activity Using a Small Molecule in Vitro Repurposing Screen.
Acs Pharmacol Transl Sci, 4, 2021
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7RYE
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7B6Q
 | | Crystal structure of MurE from E.coli in complex with Z57299526 | | Descriptor: | ISOPROPYL ALCOHOL, N-[(furan-2-yl)methyl]-1H-benzimidazol-2-amine, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6-diaminopimelate ligase | | Authors: | Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-08 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal structure of MurE from E.coli
To Be Published
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7B68
 | | Crystal structure of MurE from E.coli in complex with Z57299526 | | Descriptor: | 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide, DIMETHYL SULFOXIDE, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6-diaminopimelate ligase | | Authors: | Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-07 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal structure of MurE from E.coli
To Be Published
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6PS2
 | | XFEL beta2 AR structure by ligand exchange from Timolol to Alprenolol. | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ... | | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
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6PLQ
 | | CryoEM structure of zebra fish alpha-1 glycine receptor YGF mutant bound with GABA in SMA, super-open state | | Descriptor: | GAMMA-AMINO-BUTANOIC ACID, Glycine receptor subunit alphaZ1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Yu, J, Zhu, H, Gouaux, E. | | Deposit date: | 2019-07-01 | | Release date: | 2021-02-10 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Mechanism of gating and partial agonist action in the glycine receptor.
Cell, 184, 2021
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6PM1
 | | CryoEM structure of zebra fish alpha-1 glycine receptor bound with Taurine in SMA, desensitized state | | Descriptor: | 2-AMINOETHANESULFONIC ACID, Glycine receptor subunit alphaZ1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Yu, J, Zhu, H, Gouaux, E. | | Deposit date: | 2019-07-01 | | Release date: | 2021-02-10 | | Last modified: | 2021-08-25 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Mechanism of gating and partial agonist action in the glycine receptor.
Cell, 184, 2021
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6YOF
 | | Structure of PepTSt from COC IMISX setup collected by rotation serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging | | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 2-(2-METHOXYETHOXY)ETHANOL, Di-or tripeptide:H+ symporter, ... | | Authors: | Huang, C.-Y, Martiel, I, Villanueva-Perez, P, Panepucci, E, Caffrey, M, Wang, M. | | Deposit date: | 2020-04-14 | | Release date: | 2020-11-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography.
Iucrj, 7, 2020
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6PM4
 | | CryoEM structure of zebra fish alpha-1 glycine receptor bound with Glycine in SMA, super-open state | | Descriptor: | GLYCINE, Glycine receptor subunit alphaZ1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Yu, J, Zhu, H, Gouaux, E. | | Deposit date: | 2019-07-01 | | Release date: | 2021-02-10 | | Last modified: | 2021-08-25 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Mechanism of gating and partial agonist action in the glycine receptor.
Cell, 184, 2021
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6PM2
 | | CryoEM structure of zebra fish alpha-1 glycine receptor bound with Taurine in SMA, open state | | Descriptor: | 2-AMINOETHANESULFONIC ACID, Glycine receptor subunit alphaZ1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Yu, J, Zhu, H, Gouaux, E. | | Deposit date: | 2019-07-01 | | Release date: | 2021-02-10 | | Last modified: | 2021-08-25 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Mechanism of gating and partial agonist action in the glycine receptor.
Cell, 184, 2021
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