6PLW
 
 | | CryoEM structure of zebra fish alpha-1 glycine receptor 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 Å) | | Cite: | Mechanism of gating and partial agonist action in the glycine receptor.
Cell, 184, 2021
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5D7C
 | | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[1-(pyridin-2-yl)-6-(pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]urea, DNA gyrase subunit B, ... | | Authors: | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | | Deposit date: | 2015-08-13 | | Release date: | 2015-11-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
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8FE7
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6R0J
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8FE6
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8FUF
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7T0W
 | | Complex of GABA-A synaptic receptor with autoimmune antibody Fab115 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab115 Heavy Chain, IgG1, ... | | Authors: | Noviello, C.M, Hibbs, R.E, Kreye, J, Teng, J, Pruss, H. | | Deposit date: | 2021-11-30 | | Release date: | 2022-07-13 | | Last modified: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural mechanisms of GABA A receptor autoimmune encephalitis.
Cell, 185, 2022
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7T63
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6H47
 | | Human KRAS in complex with darpin K19 | | Descriptor: | GTPase KRas, SULFATE ION, darpin K19 | | Authors: | Debreczeni, J.E, Bery, N, Legg, S, Breed, J, Embrey, K, Stubbs, C, Kolasinska-Zwierz, P, Barrett, N, Marwood, R, Watson, J, Tart, J, Overman, R, Miller, A, Phillips, C, Minter, R, Rabbitts, T.H. | | Deposit date: | 2018-07-20 | | Release date: | 2019-04-24 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | KRAS-specific inhibition using a DARPin binding to a site in the allosteric lobe.
Nat Commun, 10, 2019
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2WTO
 | | Crystal Structure of Apo-form Czce from C. metallidurans CH34 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, ORF131 PROTEIN | | Authors: | Haertlein, I, Girard, E, Sarret, G, Hazemann, J, Gourhant, P, Kahn, R, Coves, J. | | Deposit date: | 2009-09-18 | | Release date: | 2010-08-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Evidence for Conformational Changes Upon Copper Binding to Cupriavidus Metallidurans Czce.
Biochemistry, 49, 2010
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7T0Z
 | | Complex of GABA-A synaptic receptor with autoimmune antibody Fab175 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab175 IgG1 heavy chain, ... | | Authors: | Noviello, C.M, Hibbs, R.E, Kreye, J, Teng, J, Pruss, H. | | Deposit date: | 2021-11-30 | | Release date: | 2022-07-13 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural mechanisms of GABA A receptor autoimmune encephalitis.
Cell, 185, 2022
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6PZV
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6PW1
 | | Cytochrome c Oxidase delta 16 | | Descriptor: | (2S,3R)-heptane-1,2,3-triol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, ... | | Authors: | Liu, J, Ferguson-Miller, S. | | Deposit date: | 2019-07-21 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural changes at the surface of cytochrome c oxidase alter the proton-pumping stoichiometry.
Biochim Biophys Acta Bioenerg, 1861, 2019
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8IG4
 | | Crystal structure of SARS-Cov-2 main protease in complex with GC376 | | Descriptor: | Non-structural protein 11, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | Authors: | Zhou, X.L, Zhang, J, Li, J. | | Deposit date: | 2023-02-20 | | Release date: | 2024-03-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
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7V9G
 | | Native BEN4 domain of protein Bend3 with DNA | | Descriptor: | BEN domain-containing protein 3, DNA (5'-D(*GP*CP*AP*CP*CP*GP*CP*GP*TP*GP*GP*GP*GP*CP*CP*A)-3'), DNA (5'-D(*TP*GP*GP*CP*CP*CP*CP*AP*CP*GP*CP*GP*GP*TP*GP*C)-3') | | Authors: | Zhang, J, Zhang, Y, You, Q, Huang, C, Zhang, T, Wang, M, Zhang, T, Yang, X, Xiong, J, Li, Y, Liu, C.P, Zhang, Z, Xu, R.M, Zhu, B. | | Deposit date: | 2021-08-25 | | Release date: | 2022-02-16 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Highly enriched BEND3 prevents the premature activation of bivalent genes during differentiation.
Science, 375, 2022
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7V9I
 | | The Monomer mutant of BEN4 domain of protein Bend3 with DNA | | Descriptor: | BEN domain-containing protein 3, DNA (5'-D(*AP*CP*CP*GP*CP*GP*TP*GP*GP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*CP*CP*AP*CP*GP*CP*GP*GP*T)-3') | | Authors: | Zhang, J, Zhang, Y, You, Q, Huang, C, Zhang, T, Wang, M, Zhang, T, Yang, X, Xiong, J, Li, Y, Liu, C.P, Zhang, Z, Xu, R.M, Zhu, B. | | Deposit date: | 2021-08-25 | | Release date: | 2022-02-16 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Highly enriched BEND3 prevents the premature activation of bivalent genes during differentiation.
Science, 375, 2022
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8IM6
 | | Crystal structure of HCoV 229E main protease in complex with PF07304814 | | Descriptor: | 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | | Authors: | Zhou, Y.R, Zeng, P, Zhang, J, Li, J. | | Deposit date: | 2023-03-06 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural basis of main proteases of HCoV-229E bound to inhibitor PF-07304814 and PF-07321332.
Biochem.Biophys.Res.Commun., 657, 2023
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7V9H
 | | The BEN3 domain of protein Bend3 | | Descriptor: | BEN domain-containing protein 3 | | Authors: | Zhang, J, Zhang, Y, You, Q, Huang, C, Zhang, T, Wang, M, Zhang, T, Yang, X, Xiong, J, Li, Y, Liu, C.P, Zhang, Z, Xu, R.M, Zhu, B. | | Deposit date: | 2021-08-25 | | Release date: | 2022-02-16 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.692 Å) | | Cite: | Highly enriched BEND3 prevents the premature activation of bivalent genes during differentiation.
Science, 375, 2022
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7V9F
 | | Selenomethionine mutant (L740Sem) of BEN4 domain of protein Bend3 with DNA | | Descriptor: | BEN domain-containing protein 3, CITRIC ACID, DNA (5'-D(*GP*CP*AP*CP*CP*GP*CP*GP*TP*GP*GP*GP*GP*CP*CP*A)-3'), ... | | Authors: | Zhang, J, Zhang, Y, You, Q, Huang, C, Zhang, T, Wang, M, Zhang, T, Yang, X, Xiong, J, Li, Y, Liu, C.P, Zhang, Z, Xu, R.M, Zhu, B. | | Deposit date: | 2021-08-25 | | Release date: | 2022-02-16 | | Last modified: | 2022-03-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Highly enriched BEND3 prevents the premature activation of bivalent genes during differentiation.
Science, 375, 2022
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7B2B
 | | Solution structure of a non-covalent extended docking domain complex of the Pax NRPS: PaxA T1-CDD/PaxB NDD | | Descriptor: | Amino acid adenylation domain-containing protein, Peptide synthetase PaxA | | Authors: | Watzel, J, Sarawi, S, Duchardt-Ferner, E, Bode, H.B, Woehnert, J. | | Deposit date: | 2020-11-26 | | Release date: | 2021-06-16 | | Last modified: | 2024-07-03 | | Method: | SOLUTION NMR | | Cite: | Cooperation between a T Domain and a Minimal C-Terminal Docking Domain to Enable Specific Assembly in a Multiprotein NRPS.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7B2F
 | | Solution structure of the Pax NRPS docking domain PaxB NDD | | Descriptor: | Peptide synthetase XpsB (Modular protein) | | Authors: | Watzel, J, Sarawi, S, Duchardt-Ferner, E, Bode, H.B, Woehnert, J. | | Deposit date: | 2020-11-26 | | Release date: | 2021-06-09 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Cooperation between a T Domain and a Minimal C-Terminal Docking Domain to Enable Specific Assembly in a Multiprotein NRPS.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7Q4Y
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6GWA
 | | Concanavalin B structure determined with data from the EuXFEL, the first MHz free electron laser | | Descriptor: | Concanavalin B | | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | | Deposit date: | 2018-06-22 | | Release date: | 2018-09-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser.
Nat Commun, 9, 2018
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4Z9V
 | | TCTP contains a BH3-like domain, which instead of inhibiting, activates Bcl-xL | | Descriptor: | BICARBONATE ION, Bcl-2-like protein 1,APOPTOSIS REGULATOR BCL-XL, SODIUM ION, ... | | Authors: | Cura, V, Agez, M, Thebault, S, Cavarelli, J. | | Deposit date: | 2015-04-12 | | Release date: | 2016-02-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | TCTP contains a BH3-like domain, which instead of inhibiting, activates Bcl-xL.
Sci Rep, 6, 2016
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5DFP
 | | Crystal structure of PAK1 in complex with an inhibitor compound FRAX1036 | | Descriptor: | 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, DIMETHYL SULFOXIDE, Serine/threonine-protein kinase PAK 1 | | Authors: | Maksimoska, J, Marmorstein, R, Wang, W. | | Deposit date: | 2015-08-27 | | Release date: | 2016-01-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
Acs Med.Chem.Lett., 6, 2015
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