7QHW
 
 | | TTBK1 kinase domain in complex with inhibitor 29 | | Descriptor: | GLYCEROL, SULFATE ION, Tau-tubulin kinase 1, ... | | Authors: | Nozal, V, Liehta, D. | | Deposit date: | 2021-12-14 | | Release date: | 2022-10-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy.
J.Med.Chem., 65, 2022
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6YMC
 | | 26-mer stem-loop RNA | | Descriptor: | BARIUM ION, RNA (26-MER) | | Authors: | Janowski, R, Niessing, D. | | Deposit date: | 2020-04-08 | | Release date: | 2022-04-20 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Multiple intrinsically disordered RNA-binding motifs cooperate as RNA-folding catalyst and mediate phase transition
To Be Published
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6HUP
 | | CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with diazepam (Valium), GABA and megabody Mb38. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE, GAMMA-AMINO-BUTANOIC ACID, ... | | Authors: | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | | Deposit date: | 2018-10-09 | | Release date: | 2019-01-02 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | GABAAreceptor signalling mechanisms revealed by structural pharmacology.
Nature, 565, 2019
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6YEU
 | | Second EH domain of AtEH1/Pan1 | | Descriptor: | CALCIUM ION, Calcium-binding EF hand family protein | | Authors: | Yperman, K, Papageorgiou, A, Evangelidis, T, Van Damme, D, Tripsianes, K. | | Deposit date: | 2020-03-25 | | Release date: | 2021-03-31 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Distinct EH domains of the endocytic TPLATE complex confer lipid and protein binding.
Nat Commun, 12, 2021
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6YET
 | | Second EH domain of AtEH1/Pan1 | | Descriptor: | CALCIUM ION, Calcium-binding EF hand family protein | | Authors: | Yperman, K, Papageorgiou, A, Evangelidis, T, Van Damme, D, Tripsianes, K. | | Deposit date: | 2020-03-25 | | Release date: | 2021-03-31 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Distinct EH domains of the endocytic TPLATE complex confer lipid and protein binding.
Nat Commun, 12, 2021
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7QTK
 | | SARS-CoV-2 S Omicron Spike B.1.1.529 - RBD down - 1-P2G3 Fab (Local) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P2G3 Heavy Chain, P2G3 Light Chain, ... | | Authors: | Ni, D, Lau, K, Turelli, P, Fenwick, C, Perez, L, Pojer, F, Stahlberg, H, Pantaleo, G, Trono, D. | | Deposit date: | 2022-01-14 | | Release date: | 2022-08-03 | | Last modified: | 2022-09-07 | | Method: | ELECTRON MICROSCOPY (3.84 Å) | | Cite: | Patient-derived monoclonal antibody neutralizes SARS-CoV-2 Omicron variants and confers full protection in monkeys.
Nat Microbiol, 7, 2022
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7QTI
 | | SARS-CoV-2 S Omicron Spike B.1.1.529 - 3-P2G3 and 1-P5C3 Fabs (Global) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P2G3 Heavy Chain, ... | | Authors: | Ni, D, Lau, K, Turelli, P, Fenwick, C, Perez, L, Pojer, F, Stahlberg, H, Pantaleo, G, Trono, D. | | Deposit date: | 2022-01-14 | | Release date: | 2022-08-03 | | Last modified: | 2022-09-07 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Patient-derived monoclonal antibody neutralizes SARS-CoV-2 Omicron variants and confers full protection in monkeys.
Nat Microbiol, 7, 2022
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7QTJ
 | | SARS-CoV-2 S Omicron Spike B.1.1.529 - RBD up - 1-P2G3 and 1-P5C3 Fabs (Local) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P2G3 Heavy Chain, P2G3 Light Chain, ... | | Authors: | Ni, D, Lau, K, Turelli, P, Fenwick, C, Perez, L, Pojer, F, Stahlberg, H, Pantaleo, G, Trono, D. | | Deposit date: | 2022-01-14 | | Release date: | 2022-08-03 | | Last modified: | 2022-09-07 | | Method: | ELECTRON MICROSCOPY (4.01 Å) | | Cite: | Patient-derived monoclonal antibody neutralizes SARS-CoV-2 Omicron variants and confers full protection in monkeys.
Nat Microbiol, 7, 2022
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1C7E
 | | D95E HYDROQUINONE FLAVODOXIN MUTANT FROM D. VULGARIS | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | | Authors: | McCarthy, A, Walsh, M, Higgins, T, D'Arcy, D. | | Deposit date: | 2000-02-16 | | Release date: | 2000-08-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystallographic Investigation of the Role of Aspartate 95 in the Modulation of the Redox Potentials Of Desulfovibrio Vulgaris Flavodoxin
Biochemistry, 41, 2002
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6X3R
 | | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors | | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, methyl (3~{S})-1-[(2~{S})-2-[[(2~{S})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate | | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | | Deposit date: | 2020-05-21 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
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6X4P
 | | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 28) | | Descriptor: | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | | Deposit date: | 2020-05-22 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
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6XJY
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1AAW
 | | THE STRUCTURAL BASIS FOR THE ALTERED SUBSTRATE SPECIFICITY OF THE R292D ACTIVE SITE MUTANT OF ASPARTATE AMINOTRANSFERASE FROM E. COLI | | Descriptor: | ASPARTATE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Almo, S.C, Smith, D.L, Danishefsky, A.T, Ringe, D. | | Deposit date: | 1993-07-13 | | Release date: | 1993-10-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The structural basis for the altered substrate specificity of the R292D active site mutant of aspartate aminotransferase from E. coli.
Protein Eng., 7, 1994
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6XJQ
 | | Crystal structure of a self-alkylating ribozyme - alkylated form with biotinylated epoxide substrate | | Descriptor: | 2-{[(4R)-4-hydroxyhexyl]oxy}ethyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate, Fab HAVx Heavy Chain, Fab HAVx Light Chain, ... | | Authors: | Koirala, D, Piccirilli, J.A. | | Deposit date: | 2020-06-24 | | Release date: | 2022-01-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.708 Å) | | Cite: | Structural basis for substrate binding and catalysis by a self-alkylating ribozyme.
Nat.Chem.Biol., 18, 2022
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6XJZ
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6XJW
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6YAO
 | | Crystal structure of ZmCKO4a in complex with inhibitor 1-[2-(2-Hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea | | Descriptor: | 1,2-ETHANEDIOL, 1-[2-(2-Hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea, Cytokinin dehydrogenase 4, ... | | Authors: | Kopecny, D, Briozzo, P, Morera, S. | | Deposit date: | 2020-03-12 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Diphenylurea-derived cytokinin oxidase/dehydrogenase inhibitors for biotechnology and agriculture.
J.Exp.Bot., 72, 2021
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8UGY
 | | Serotonin 1E receptor (5-HT1eR)-Gi1 Complex bound with Mianserin | | Descriptor: | 5-hydroxytryptamine receptor 1E, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zilberg, G, Warren, A.L, Wacker, D. | | Deposit date: | 2023-10-06 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.31 Å) | | Cite: | Structural insights into the unexpected agonism of tetracyclic antidepressants at serotonin receptors 5-HT 1e R and 5-HT 1F R.
Sci Adv, 10, 2024
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5JV5
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6Z3Y
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5XM2
 | | Human N-terminal domain of FACT complex subunit SPT16 | | Descriptor: | DI(HYDROXYETHYL)ETHER, FACT complex subunit SPT16, GLYCEROL | | Authors: | Xu, S, Li, H, Dou, Y, Chen, Y, Jiang, H, Lu, D, Wang, M, Su, D. | | Deposit date: | 2017-05-12 | | Release date: | 2018-05-16 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.187 Å) | | Cite: | The structural basis of human Spt16 N-terminal domain interaction with histone (H3-H4)2tetramer.
Biochem.Biophys.Res.Commun., 508, 2019
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6GW7
 | | The CTD of HpDprA, a DNA binding Winged Helix domain which do not bind dsDNA | | Descriptor: | DNA protecting protein DprA | | Authors: | Lisboa, J, Celma, L, Sanchez, D, Marquis, M, Andreani, J, Guerois, R, Ochsenbein, F, Durand, D, Marsin, S, Cuniasse, P, Radicella, J.P, Quevillon-Cheruel, S. | | Deposit date: | 2018-06-22 | | Release date: | 2019-04-24 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | The C-terminal domain of HpDprA is a DNA-binding winged helix domain that does not bind double-stranded DNA.
Febs J., 286, 2019
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6X1Z
 | | Mre11 dimer in complex with small molecule modulator PFMJ | | Descriptor: | (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ... | | Authors: | Arvai, A.S, Moiani, D, Tainer, J.A. | | Deposit date: | 2020-05-19 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fragment- and structure-based drug discovery for developing therapeutic agents targeting the DNA Damage Response.
Prog.Biophys.Mol.Biol., 163, 2021
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6SND
 | | crystal structure of LN01 Fab in complex with an HIV-1 gp41 peptide | | Descriptor: | 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ... | | Authors: | Caillat, C, Pinto, D, Corti, D, Fenwick, C, Pantaleo, G, Weissenhorn, W. | | Deposit date: | 2019-08-23 | | Release date: | 2019-11-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Basis for Broad HIV-1 Neutralization by the MPER-Specific Human Broadly Neutralizing Antibody LN01.
Cell Host Microbe, 26, 2019
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5HMR
 | | Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (ZmCKO4) in complex with phenylurea inhibitor 3FMTDZ | | Descriptor: | 1-(1,2,3-thiadiazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]urea, Cytokinin dehydrogenase 4, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Kopecny, D, Koncitikova, R, Briozzo, P. | | Deposit date: | 2016-01-16 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Novel thidiazuron-derived inhibitors of cytokinin oxidase/dehydrogenase.
Plant Mol.Biol., 92, 2016
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