9EPY
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3330 | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | Authors: | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2024-03-20 | Release date: | 2024-05-01 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting. Eur.J.Med.Chem., 276, 2024
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9EPZ
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3337 | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | Authors: | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2024-03-20 | Release date: | 2024-05-01 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting. Eur.J.Med.Chem., 276, 2024
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9EQ0
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJG12 | Descriptor: | Casein kinase II subunit alpha, SULFATE ION, ~{N}-[4-[(3-chloranyl-4-phenyl-phenyl)methylamino]butyl]isoquinoline-5-sulfonamide | Authors: | Kraemer, A, Greco, F, Gerninghaus, J, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2024-03-20 | Release date: | 2024-05-01 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting. Eur.J.Med.Chem., 276, 2024
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9EQ1
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJM24 | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | Authors: | Kraemer, A, Greco, F, Moeckel, J, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2024-03-20 | Release date: | 2024-05-01 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting. Eur.J.Med.Chem., 276, 2024
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9EQ3
| Structure of IgE HMM5 bound to FceRIa cryo-EM class 8 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, High affinity immunoglobulin epsilon receptor subunit alpha, ... | Authors: | Andersen, G.R, Jensen, R.K. | Deposit date: | 2024-03-20 | Release date: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (6.9 Å) | Cite: | Structure of IgE HMM5 bound to FceRIa cryo-EM class 8 To be published
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9EQ4
| Structure of IgE HMM5 bound to FceRIa cryo-EM class 5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, High affinity immunoglobulin epsilon receptor subunit alpha, ... | Authors: | Andersen, G.R, Jensen, R.K. | Deposit date: | 2024-03-20 | Release date: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (8.4 Å) | Cite: | Structure of IgE HMM5 bound to FceRIa cryo-EM class 5 To be published
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9EQ7
| Halobacterium salinarum archaellum filament | Descriptor: | 2-O-sulfo-beta-D-glucopyranuronic acid-(1-4)-3-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-beta-D-glucopyranuronic acid-(1-4)-beta-D-glucopyranose, Archaellin | Authors: | Grossman-Haham, I, Shahar, A. | Deposit date: | 2024-03-21 | Release date: | 2024-07-17 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Perturbed N-glycosylation of Halobacterium salinarum archaellum filaments leads to filament bundling and compromised cell motility. Nat Commun, 15, 2024
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9ERX
| Structural basis of D9-THC analog activity at the Cannabinoid 1 receptor | Descriptor: | (6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol, Antibody ScFv16 Fab fragment, Cannabinoid receptor 1, ... | Authors: | Thorsen, T.S, Kulkarni, Y, Boggild, A, Drace, T, Nissen, P, Gajhede, M, Boesen, T, Kastrup, J.S, Gloriam, D. | Deposit date: | 2024-03-25 | Release date: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis of Delta 9 -THC analog activity at the Cannabinoid 1 receptor. Res Sq, 2024
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9ESM
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9ETU
| Archaellum filament from the Halobacterium salinarum deltaAgl27 strain | Descriptor: | 3-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-beta-D-glucopyranuronic acid-(1-4)-beta-D-glucopyranose, Archaellin | Authors: | Grossman-Haham, I, Shahar, A. | Deposit date: | 2024-03-27 | Release date: | 2024-07-17 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.33 Å) | Cite: | Perturbed N-glycosylation of Halobacterium salinarum archaellum filaments leads to filament bundling and compromised cell motility. Nat Commun, 15, 2024
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9EU6
| The FK1 domain of FKBP51 in complex with SAFit-analog 23j | Descriptor: | (1,5-dimethylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
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9EU7
| The FK1 domain of FKBP51 in complex with SAFit-analog 15b | Descriptor: | (2-methyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
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9EU8
| The FK1 domain of FKBP51 in complex with SAFit-analog 15h | Descriptor: | (4-methyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
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9EU9
| The FK1 domain of FKBP51 in complex with SAFit-analog 15i | Descriptor: | (4-chloranyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
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9EUA
| The FK1 domain of FKBP51 in complex with SAFit-analog 23d | Descriptor: | (1-propylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
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9EUB
| The FK1 domain of FKBP51 in complex with SAFit-analog 24e | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, [1-(2-hydroxyethyl)pyrazol-4-yl]methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
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9EUC
| The FK1 domain of FKBP51 in complex with SAFit-analog 23b | Descriptor: | (1-ethylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
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9EUD
| The FK1 domain of FKBP51 in complex with SAFit-analog 23c | Descriptor: | (1-propan-2-ylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.022 Å) | Cite: | 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
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9EUE
| The FK1 domain of FKBP51 in complex with SAFit-analog 23a | Descriptor: | (1-methylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
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9EUO
| Outward-open structure of Drosophila dopamine transporter bound to an atypical non-competitive inhibitor | Descriptor: | 9D5 ANTIBODY, HEAVY CHAIN, LIGHT CHAIN, ... | Authors: | Pedersen, C.N, Yang, F, Ita, S, Xu, Y, Akunuri, R, Trampari, S, Neumann, C.M.T, Desdorf, L.M, Schioett, B, Salvino, J.M, Mortensen, O.V, Nissen, P, Shahsavar, A. | Deposit date: | 2024-03-27 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structure of the dopamine transporter with a novel atypical non-competitive inhibitor bound to the orthosteric site. J.Neurochem., 2024
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9EVX
| cryoEM structure of Photosystem II averaged across S2-S3 states at 1.71 Angstrom resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Hussein, R, Graca, A, Zouni, A, Messinger, J, Schroder, W.P. | Deposit date: | 2024-04-02 | Release date: | 2024-06-12 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (1.71 Å) | Cite: | Cryo-electron microscopy reveals hydrogen positions and water networks in photosystem II. Science, 384, 2024
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9EX0
| X-ray structure of a polyoxidovanadate/lysozyme adduct obtained when the protein is treated with [VIVO(acac)2] in 1.1 M NaCl, 0.1 M sodium acetate at pH 4.0 (Structure A) | Descriptor: | CHLORIDE ION, Lysozyme C, Polyoxidovanadate complex, ... | Authors: | Tito, G, Merlino, A, Ferraro, G. | Deposit date: | 2024-04-05 | Release date: | 2024-06-26 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Non-Covalent and Covalent Binding of New Mixed-Valence Cage-like Polyoxidovanadate Clusters to Lysozyme. Angew.Chem.Int.Ed.Engl., 63, 2024
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9EX1
| X-ray structure of a polyoxidovanadate/lysozyme adduct obtained when the protein is treated with [VIVO(acac)2] in 1.1 M NaCl, 0.1 M sodium acetate at pH 4.0 (Structure B) | Descriptor: | CHLORIDE ION, Lysozyme C, Polyoxidovanadate complex | Authors: | Tito, G, Merlino, A, Ferraro, G. | Deposit date: | 2024-04-05 | Release date: | 2024-06-26 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.785 Å) | Cite: | Non-Covalent and Covalent Binding of New Mixed-Valence Cage-like Polyoxidovanadate Clusters to Lysozyme. Angew.Chem.Int.Ed.Engl., 63, 2024
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9EX2
| X-ray structure of a polyoxidovanadate/lysozyme adduct obtained when the protein is treated with [VIVO(acac)2] in 1.1 M NaCl, 0.1 M sodium acetate at pH 4.0 (Structure C) | Descriptor: | CHLORIDE ION, Lysozyme C, Polyoxidovanadate complex, ... | Authors: | Tito, G, Merlino, A, Ferraro, G. | Deposit date: | 2024-04-05 | Release date: | 2024-06-26 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.172 Å) | Cite: | Non-Covalent and Covalent Binding of New Mixed-Valence Cage-like Polyoxidovanadate Clusters to Lysozyme. Angew.Chem.Int.Ed.Engl., 63, 2024
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9EXW
| Crystal structure of the PWWP1 domain of NSD2 bound by compound 17. | Descriptor: | 1,2-ETHANEDIOL, 7-[3-methyl-5-[2-methyl-5-[(pyridin-3-ylamino)methyl]phenyl]imidazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, Histone-lysine N-methyltransferase NSD2 | Authors: | Collie, G.W. | Deposit date: | 2024-04-09 | Release date: | 2024-05-29 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches. J.Med.Chem., 67, 2024
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