7PWT
 
 | | Crystal structure of 14-3-3 sigma in complex with a C-terminal Estrogen Receptor alpha phosphopeptide, stabilised by pyrrolidone derivative 228 | | 分子名称: | (2~{R})-1-(2-hydroxyphenyl)-2-(4-nitrophenyl)-4-oxidanyl-3-(phenylcarbonyl)-2~{H}-pyrrol-5-one, 14-3-3 protein sigma, C-terminus of Estrogen receptor alpha, ... | | 著者 | Andrei, S.A, Bosica, F, O'Mahony, G, Ottmann, C. | | 登録日 | 2021-10-07 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.312 Å) | | 主引用文献 | Designing Selective Drug-like Molecular Glues for the Glucocorticoid Receptor/14-3-3 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
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8SF3
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6CKM
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7PWJ
 | | dUTPase from human in complex with Stl | | 分子名称: | 1,2-ETHANEDIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial, ... | | 著者 | Sanz-Frasquet, C, Marina, A. | | 登録日 | 2021-10-06 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.944 Å) | | 主引用文献 | The Bacteriophage-Phage-Inducible Chromosomal Island Arms Race Designs an Interkingdom Inhibitor of dUTPases.
Microbiol Spectr, 11, 2023
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6J2K
 | | CTX-M-64 beta-lactamase S130T clavulanic acid complex | | 分子名称: | (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal, Beta-lactamase | | 著者 | Cheng, Q, Chen, S. | | 登録日 | 2019-01-01 | | 公開日 | 2019-10-30 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution.
Acs Infect Dis., 6, 2020
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8SAC
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6EYZ
 | | PI3 kinase delta in complex with 4-Fluorophenyl 5-(4-(5-((4-isopropylpiperazin-1-yl)methyl)oxazol-2-yl)-1H-indazol-6-yl)-2-methoxynicotinate | | 分子名称: | 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylic acid, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Convery, M.A, Campos, S, Dalton, S.E. | | 登録日 | 2017-11-13 | | 公開日 | 2017-12-20 | | 最終更新日 | 2018-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Selectively Targeting the Kinome-Conserved Lysine of PI3K delta as a General Approach to Covalent Kinase Inhibition.
J. Am. Chem. Soc., 140, 2018
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7PWX
 | | dUTPase from M. tuberculosis in complex with Stl | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Marina, A, Sanz-Frasquet, C. | | 登録日 | 2021-10-07 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | The Bacteriophage-Phage-Inducible Chromosomal Island Arms Race Designs an Interkingdom Inhibitor of dUTPases.
Microbiol Spectr, 11, 2023
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6Y18
 | | Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 3 | | 分子名称: | 14-3-3 protein sigma, 4-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ... | | 著者 | Somsen, B.A, Ottmann, C. | | 登録日 | 2020-02-11 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
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7PVP
 | | Crystal structure of the SAKe6BC designer protein | | 分子名称: | SAKe6BC | | 著者 | Wouters, S.M.L, Noguchi, H, Velpula, G, Clarke, D.E, Voet, A.R.D, De Feyter, S. | | 登録日 | 2021-10-05 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | SAKe: Computationally Designed Modular Protein Building Blocks for Macromolecular Assemblies
To be published
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6FG5
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8SKK
 | | Crystal Structure of the Tick Evasin EVA-AAM1001(L39P) Complexed to Human Chemokine CCL17 | | 分子名称: | C-C motif chemokine 17, Evasin P1243 | | 著者 | Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J. | | 登録日 | 2023-04-19 | | 公開日 | 2023-05-03 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal Structure of the Tick Evasin EVA-AAM1001(L39P) Complexed to Human Chemokine CCL7
To be Published
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6CZ2
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5UMZ
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8SKF
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6Y5C
 | | The crystal structure of glycogen phosphorylase in complex with 52 | | 分子名称: | 2-(4-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one, Glycogen phosphorylase, muscle form | | 著者 | Kyriakis, E, Koulas, S.M, Skamnaki, V.T, Leonidas, D.D. | | 登録日 | 2020-02-25 | | 公開日 | 2020-08-19 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Synthetic flavonoid derivatives targeting the glycogen phosphorylase inhibitor site: QM/MM-PBSA motivated synthesis of substituted 5,7-dihydroxyflavones, crystallography, in vitro kinetics and ex-vivo cellular experiments reveal novel potent inhibitors.
Bioorg.Chem., 102, 2020
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6JOO
 | | Crystal structure of Corynebacterium diphtheriae Cas9 in complex with sgRNA and target DNA | | 分子名称: | 1,2-ETHANEDIOL, CRISPR-associated protein,CRISPR-associated endonuclease Cas9, Guide RNA, ... | | 著者 | Hirano, S, Ishitani, R, Nishimasu, H, Nureki, O. | | 登録日 | 2019-03-22 | | 公開日 | 2019-04-17 | | 最終更新日 | 2019-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural basis for the promiscuous PAM recognition by Corynebacterium diphtheriae Cas9.
Nat Commun, 10, 2019
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8A3U
 | | Crystal structure of a chimeric LOV-Histidine kinase SB2F1 (symmetrical variant, trigonal form with short c-axis) | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Putative Sensory box protein,Sensor protein FixL | | 著者 | Arinkin, V, Batra-Safferling, R, Granzin, J. | | 登録日 | 2022-06-09 | | 公開日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Crystal structure of a chimeric LOV-Histidine kinase SB2F1 (symmetrical variant, trigonal form
with short c-axis)
To Be Published
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5UNX
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)ethyl)benzonitrile | | 分子名称: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[2-(methylamino)ethyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2017-01-31 | | 公開日 | 2017-05-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
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7ZYW
 | | Crystal structure of T2R-TTL-PM534 complex | | 分子名称: | (4R)-N-[(1R)-1-[4-(cyclopropylmethoxy)-6-oxidanylidene-pyran-2-yl]butyl]-4-methyl-2-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]-5H-1,3-thiazole-4-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Oliva, M.A, Diaz, J.F, Cuevas, C. | | 登録日 | 2022-05-25 | | 公開日 | 2023-11-29 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | PM534, an Optimized Target-Protein Interaction Strategy through the Colchicine Site of Tubulin.
J.Med.Chem., 67, 2024
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6FGV
 | | Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 3 | | 分子名称: | Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide | | 著者 | Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A. | | 登録日 | 2018-01-11 | | 公開日 | 2018-05-30 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
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5UOD
 | | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 3-[(2-Amino-4-methylquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile | | 分子名称: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2017-01-31 | | 公開日 | 2017-05-03 | | 最終更新日 | 2020-01-01 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
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6Q0R
 | | Structure of DDB1-DDA1-DCAF15 complex bound to E7820 and RBM39 | | 分子名称: | 3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ... | | 著者 | Faust, T, Yoon, H, Nowak, R.P, Donovan, K.A, Li, Z, Cai, Q, Eleuteri, N.A, Zhang, T, Gray, N.S, Fischer, E.S. | | 登録日 | 2019-08-02 | | 公開日 | 2019-11-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural complementarity facilitates E7820-mediated degradation of RBM39 by DCAF15.
Nat.Chem.Biol., 16, 2020
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6F0I
 | | GLIC mutant E26A | | 分子名称: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | 著者 | Hu, H.D, Delarue, M. | | 登録日 | 2017-11-20 | | 公開日 | 2018-01-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
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6Y68
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