6PPM
 
 | | Ancestral Caspase 6 | | 分子名称: | Ancestral Caspase-6 Large Subunit, Ancestral Caspase-6 small subunit, VAL-GLU-ILE-ASP Inhibitor | | 著者 | Clark, A.C. | | 登録日 | 2019-07-08 | | 公開日 | 2019-11-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Resurrection of ancestral effector caspases identifies novel networks for evolution of substrate specificity.
Biochem.J., 476, 2019
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8PDA
 | | cryo-EM structure of Doa10 with RING domain in MSP1E3D1 | | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, ERAD-associated E3 ubiquitin-protein ligase DOA10 | | 著者 | Botsch, J.J, Braeuning, B, Schulman, B.A. | | 登録日 | 2023-06-12 | | 公開日 | 2024-01-17 | | 実験手法 | ELECTRON MICROSCOPY (3.58 Å) | | 主引用文献 | Doa10/MARCH6 architecture interconnects E3 ligase activity with lipid-binding transmembrane channel to regulate SQLE.
Nat Commun, 15, 2024
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5MPF
 | | Structural Basis of Gene Regulation by the Grainyhead Transcription Factor Superfamily | | 分子名称: | DNA (5'-D(*AP*AP*AP*AP*CP*CP*GP*GP*TP*TP*TP*T)-3'), Grainyhead-like protein 1 homolog | | 著者 | Ming, Q, Roske, Y, Schuetz, A, Walentin, K, Ibraimi, I, Schmidt-Ott, K.M, Heinemann, U. | | 登録日 | 2016-12-16 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.918 Å) | | 主引用文献 | Structural basis of gene regulation by the Grainyhead/CP2 transcription factor family.
Nucleic Acids Res., 46, 2018
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7T2V
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6P6L
 | | HCV NS3/4A protease domain of genotype 1a in complex with glecaprevir | | 分子名称: | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, 1,2-ETHANEDIOL, ... | | 著者 | Timm, J, Schiffer, C.A. | | 登録日 | 2019-06-04 | | 公開日 | 2020-06-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.728 Å) | | 主引用文献 | HCV NS3/4A protease domain of genotype 1a in complex with glecaprevir
To Be Published
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7T2U
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5MPK
 | | Crystal structure of CREBBP bromodomain complexed with DK19 | | 分子名称: | CREB-binding protein, ~{N}-(5-ethanoyl-2-ethoxy-phenyl)-3-(2~{H}-1,2,3,4-tetrazol-5-yl)-5-(1,3-thiazol-4-yl)benzamide | | 著者 | Zhu, J, Caflisch, A. | | 登録日 | 2016-12-16 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
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6VB2
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6MKX
 | | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) R77A mutant from Salmonella typhimurium | | 分子名称: | Lysine/arginine/ornithine-binding periplasmic protein | | 著者 | Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | | 登録日 | 2018-09-26 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.284 Å) | | 主引用文献 | The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein.
Febs J., 287, 2020
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6MLE
 | | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) from Salmonella typhimurium complexed with arginine | | 分子名称: | ACETATE ION, ARGININE, Lysine/arginine/ornithine-binding periplasmic protein | | 著者 | Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | | 登録日 | 2018-09-27 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.858 Å) | | 主引用文献 | The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein.
Febs J., 287, 2020
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5MWG
 | | Crystal structure of the human BRPF1 bromodomain in complex with BZ091 | | 分子名称: | NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide | | 著者 | Zhu, J, Caflisch, A. | | 登録日 | 2017-01-18 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
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6EZO
 | | Eukaryotic initiation factor EIF2B in complex with ISRIB | | 分子名称: | 2-(4-chloranylphenoxy)-~{N}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide, Human eukaryotic initiation factor EIF2B epsilon subunits, Translation initiation factor eIF-2B subunit alpha, ... | | 著者 | Faille, A, Weis, F, Zyryanova, A, Warren, A.J, Ron, D. | | 登録日 | 2017-11-16 | | 公開日 | 2018-03-28 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Binding of ISRIB reveals a regulatory site in the nucleotide exchange factor eIF2B.
Science, 359, 2018
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7QHV
 | | Crystal structure of the sulfoquinovosyl binding protein SmoF complexed with sulfoquinovosyl diacylglycerol | | 分子名称: | GLYCINE, Sulfoquinovosyl binding protein, [(2~{S},3~{S},4~{S},5~{R},6~{S})-6-[(2~{S})-3-butanoyloxy-2-heptanoyloxy-propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid | | 著者 | Snow, A, Davies, G.J. | | 登録日 | 2021-12-14 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | The sulfoquinovosyl glycerol binding protein SmoF binds and accommodates plant sulfolipids.
Curr Res Struct Biol, 4, 2022
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7STO
 | | Chitin Synthase 2 from Candida albicans bound to polyoxin D | | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-{(2R,3R,4S,5R)-5-[(S)-{[(2S,3S,4S)-2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}(carboxy)methyl]-3,4-dihydroxyoxolan-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid (non-preferred name), Chitin synthase | | 著者 | Ren, Z, Chhetri, A, Lee, S, Yokoyama, K. | | 登録日 | 2021-11-14 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.15 Å) | | 主引用文献 | Structural basis for inhibition and regulation of a chitin synthase from Candida albicans.
Nat.Struct.Mol.Biol., 29, 2022
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5IZJ
 | | Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1411 | | 分子名称: | 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine, 47P-AZ1-DAR-DAR, 47P-AZ1-DAR-DAR-DAR, ... | | 著者 | Pflug, A, Enkvist, E, Uri, A, Engh, R.A. | | 登録日 | 2016-03-25 | | 公開日 | 2016-07-20 | | 最終更新日 | 2019-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions.
Bioconjug.Chem., 27, 2016
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7STM
 | | Chitin Synthase 2 from Candida albicans bound to UDP-GlcNAc | | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, Chitin synthase, MAGNESIUM ION, ... | | 著者 | Ren, Z, Chhetri, A, Lee, S, Yokoyama, K. | | 登録日 | 2021-11-14 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.02 Å) | | 主引用文献 | Structural basis for inhibition and regulation of a chitin synthase from Candida albicans.
Nat.Struct.Mol.Biol., 29, 2022
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4XZF
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7QY2
 | | X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 2 | | 分子名称: | (2R)-4-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]-2-methyl-butanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Dahms, S.O, Brandstetter, H, Pautsch, A. | | 登録日 | 2022-01-27 | | 公開日 | 2022-04-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism.
Acs Chem.Biol., 17, 2022
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6MJI
 | | Crystal structure of the mCD1d/xxs (JJ304) /iNKTCR ternary complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | | 著者 | Zajonc, D.M, Bitra, A, Janssens, J. | | 登録日 | 2018-09-20 | | 公開日 | 2019-01-09 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies.
ChemMedChem, 14, 2019
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5EFV
 | | The host-recognition device of Staphylococcus aureus phage Phi11 | | 分子名称: | FE (III) ION, Phi ETA orf 56-like protein | | 著者 | Koc, C, Kuhner, P, Xia, G, Spinelli, S, Roussel, A, Cambillau, C, Stehle, T. | | 登録日 | 2015-10-26 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure of the host-recognition device of Staphylococcus aureus phage 11.
Sci Rep, 6, 2016
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6VE8
 | | Structure of the Glutamate-Like Receptor GLR3.2 ligand-binding domain in complex with Methionine | | 分子名称: | BETA-MERCAPTOETHANOL, CHLORIDE ION, GLYCEROL, ... | | 著者 | Gangwar, S.P, Green, M.N, Yoder, J.B, Sobolevsky, A.I. | | 登録日 | 2019-12-30 | | 公開日 | 2020-09-23 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structure of the Arabidopsis Glutamate Receptor-like Channel GLR3.2 Ligand-Binding Domain.
Structure, 29, 2021
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7AMC
 | | SmBRD3(2), Bromodomain 2 of the Bromodomain 3 protein from Schistosoma mansoni in complex with iBET726 | | 分子名称: | 1,2-ETHANEDIOL, 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid, GLYCEROL, ... | | 著者 | Schiedel, M, McDonough, M.A, Conway, S.J. | | 登録日 | 2020-10-08 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | SBM3, Bromodomain 3 from Schistosoma mansoni in complex with iBET726
To Be Published
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7Q62
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5M5Y
 | | RNA Polymerase I elongation complex 2 | | 分子名称: | DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ... | | 著者 | Tafur, L, Sadian, Y, Hoffmann, N.A, Jakobi, A.J, Wetzel, R, Hagen, W.J.H, Sachse, C, Muller, C.W. | | 登録日 | 2016-10-23 | | 公開日 | 2016-12-21 | | 最終更新日 | 2019-12-11 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Molecular Structures of Transcribing RNA Polymerase I.
Mol. Cell, 64, 2016
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6VEA
 | | Structure of the Glutamate-Like Receptor GLR3.2 ligand-binding domain in complex with Glycine | | 分子名称: | BETA-MERCAPTOETHANOL, GLYCINE, Glutamate receptor 3.2, ... | | 著者 | Gangwar, S.P, Green, M.N, Yoder, J.B, Sobolevsky, A.I. | | 登録日 | 2019-12-30 | | 公開日 | 2020-09-23 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Structure of the Arabidopsis Glutamate Receptor-like Channel GLR3.2 Ligand-Binding Domain.
Structure, 29, 2021
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