6PT9
 
 | | Crystal structure of PsS1_NC C84S in complex with k-neocarrabiose | | 分子名称: | 1,2-ETHANEDIOL, 3,6-anhydro-D-galactose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Hettle, A.G, Boraston, A.B. | | 登録日 | 2019-07-15 | | 公開日 | 2019-09-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Commun Biol, 2, 2019
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8OFA
 | | Crystal structure of human cathepsin L interacting with tosyl phenylalanyl chloromethyl ketone (TPCK) | | 分子名称: | 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide, ... | | 著者 | Falke, S, Lieske, J, Guenther, S, Ewert, W, Reinke, P.Y.A, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | 登録日 | 2023-03-14 | | 公開日 | 2023-11-29 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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6PV6
 | | Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots | | 分子名称: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | | 著者 | Dashti, A, des Georges, A, Frank, J, Ourmazd, A. | | 登録日 | 2019-07-19 | | 公開日 | 2020-08-12 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | Retrieving functional pathways of biomolecules from single-particle snapshots.
Nat Commun, 11, 2020
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5W8Q
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7AVZ
 | | MerTK kinase domain in complex with a bisaminopyrimidine inhibitor | | 分子名称: | (R)-N2-(4-(cyclopropylmethoxy)-3,5-difluorophenyl)-5-(3-methylpiperazin-1-yl)-N4-(tetrahydro-2H-pyran-4-yl)pyrimidine-2,4-diamine, Tyrosine-protein kinase Mer | | 著者 | Pflug, A, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Preston, M, Rawlins, P, Rivers, E, Schimpl, M, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | | 登録日 | 2020-11-06 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
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8TLY
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9C05
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7QGY
 | | Human carbonic anhydrase II in complex with 3-((5-(ethoxycarbonyl)-4-methylthiazol-2-yl)(4-sulfamoylphenyl)amino)propanoic acid | | 分子名称: | 3-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoic acid, Carbonic anhydrase 2, ZINC ION | | 著者 | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2021-12-10 | | 公開日 | 2022-05-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases.
Pharmaceuticals, 15, 2022
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5MCU
 | | New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-LHG2) | | 分子名称: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, DNA, ... | | 著者 | Golovenko, D, Rozenberg, H, Shakked, Z. | | 登録日 | 2016-11-10 | | 公開日 | 2018-06-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins.
Structure, 26, 2018
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6YIK
 | | Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand | | 分子名称: | (3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide, CREBBP | | 著者 | Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P. | | 登録日 | 2020-04-01 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand
To Be Published
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7QGX
 | | Human carbonic anhydrase II in complex with 3-((5-chloro-4-(4-chlorophenyl)thiazol-2-yl)(4-sulfamoylphenyl)amino)propanoic acid | | 分子名称: | 3-[[5-chloranyl-4-(4-chlorophenyl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)amino]propanoic acid, Carbonic anhydrase 2, MALONATE ION, ... | | 著者 | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2021-12-10 | | 公開日 | 2022-05-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | | 主引用文献 | Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases.
Pharmaceuticals, 15, 2022
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9KN8
 | | Crystal structure of Horse spleen L-ferritin mutant (E53F/E56F/E57F/R59F/E60F/E63F) with Coumarin 153 | | 分子名称: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | 著者 | Suzuki, T, Hishikawa, Y, Maity, B, Abe, S, Ueno, T. | | 登録日 | 2024-11-18 | | 公開日 | 2025-03-05 | | 最終更新日 | 2025-04-30 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Design of Aromatic Interaction Networks in a Protein Cage Modulated by Fluorescent Ligand Binding.
Adv Sci, 12, 2025
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6MVD
 | | Crystal structure of Lecithin:cholesterol acyltransferase (LCAT) in complex with isopropyl dodec-11-enylfluorophosphonate (IDFP) and a small molecule activator | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-{4-[(4R)-4-hydroxy-6-oxo-4-(trifluoromethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl}-4-(trifluoromethyl)pyridine-3-carbonitrile, NICKEL (II) ION, ... | | 著者 | Manthei, K.A, Chang, L, Tesmer, J.J.G. | | 登録日 | 2018-10-25 | | 公開日 | 2018-12-05 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Molecular basis for activation of lecithin:cholesterol acyltransferase by a compound that increases HDL cholesterol.
Elife, 7, 2018
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6SIY
 | | PaaK family AMP-ligase with AMP and substrate | | 分子名称: | 1,2-ETHANEDIOL, 3-HYDROXYANTHRANILIC ACID, ADENOSINE MONOPHOSPHATE, ... | | 著者 | Naismith, J.H, Song, H. | | 登録日 | 2019-08-12 | | 公開日 | 2020-01-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 59, 2020
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8TLH
 | | CDCA7 (Mouse) Binds Non-B-form 32-mer DNA oligo | | 分子名称: | 1,2-ETHANEDIOL, Cell division cycle-associated protein 7, DNA (32-MER), ... | | 著者 | Horton, J.R, Ren, R, Cheng, X. | | 登録日 | 2023-07-26 | | 公開日 | 2024-08-21 | | 最終更新日 | 2024-08-28 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | The ICF syndrome protein CDCA7 harbors a unique DNA-binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Biorxiv, 2023
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6GI1
 | | Crystal structure of the ferric enterobactin esterase (pfeE) mutant(S157A) from Pseudomonas aeruginosa in presence of enterobactin | | 分子名称: | 1,2-ETHANEDIOL, 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID, FE (III) ION, ... | | 著者 | Moynie, L, Naismith, J.H. | | 登録日 | 2018-05-09 | | 公開日 | 2018-06-20 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | A Key Role for the Periplasmic PfeE Esterase in Iron Acquisition via the Siderophore Enterobactin in Pseudomonas aeruginosa.
ACS Chem. Biol., 13, 2018
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6YMV
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7QGZ
 | | Human carbonic anhydrase II in complex with Methyl 3-((4-methylthiazol-2-yl)(4-sulfamoylphenyl)amino)propanoate | | 分子名称: | Carbonic anhydrase 2, ZINC ION, methyl 3-[(4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoate | | 著者 | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2021-12-10 | | 公開日 | 2022-05-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases.
Pharmaceuticals, 15, 2022
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7QZQ
 | | Crystal structure of the kelch domain of human KBTBD12 | | 分子名称: | 1,2-ETHANEDIOL, Kelch repeat and BTB domain-containing protein 12, SODIUM ION | | 著者 | Manning, C.E, Chen, Z, Chen, X, Bradshaw, W.J, Bakshi, S, Mckinley, G, Chalk, R, Burgess-Brown, N, von Delft, F, Bullock, A.N. | | 登録日 | 2022-01-31 | | 公開日 | 2022-05-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Crystal structure of the kelch domain of human KBTBD12
To Be Published
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8TLK
 | | CDCA7 (Human) Binds Non-B-form 32-mer DNA oligo Containing a 5mC | | 分子名称: | 1,2-ETHANEDIOL, Cell division cycle-associated protein 7, DNA (32-MER), ... | | 著者 | Horton, J.R, Ren, R, Cheng, X. | | 登録日 | 2023-07-26 | | 公開日 | 2024-08-21 | | 最終更新日 | 2024-08-28 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | The ICF syndrome protein CDCA7 harbors a unique DNA-binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Biorxiv, 2023
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6Q0M
 | | Structure of Erbin PDZ derivative E-14 with a high-affinity peptide | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | 著者 | Singer, A.U, Teyra, J, Ernst, A, Sicheri, F, Sidhu, S.S. | | 登録日 | 2019-08-02 | | 公開日 | 2019-11-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Comprehensive analysis of all evolutionary paths between two divergent PDZ domain specificities.
Protein Sci., 29, 2020
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7AVR
 | | The tetrameric structure of haloalkane dehalogenase DpaA from Paraglaciecola agarilytica NO2 | | 分子名称: | CHLORIDE ION, Haloalkane dehalogenase 1 | | 著者 | Mazur, A, Kolenko, P, Prudnikova, T, Grinkevich, P, Kuta Smatanova, I. | | 登録日 | 2020-11-05 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The tetrameric structure of the novel haloalkane dehalogenase DpaA from Paraglaciecola agarilytica NO2.
Acta Crystallogr D Struct Biol, 77, 2021
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8TLL
 | | CDCA7 (Mouse) Binds Non-B-form 26-mer DNA oligo | | 分子名称: | 1,2-ETHANEDIOL, Cell division cycle-associated protein 7, DNA (26-MER), ... | | 著者 | Horton, J.R, Ren, R, Cheng, X. | | 登録日 | 2023-07-26 | | 公開日 | 2024-08-21 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | The ICF syndrome protein CDCA7 harbors a unique DNA binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Sci Adv, 10, 2024
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5WBR
 | | Structure of human Ketohexokinase complexed with hits from fragment screening | | 分子名称: | 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, GLYCEROL, ... | | 著者 | Pandit, J. | | 登録日 | 2017-06-29 | | 公開日 | 2017-09-13 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
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8YWV
 | | Human PPAR alpha ligand binding domain in complex with a 1H-pyrazolo[3,4-b]pyridine-derived compound | | 分子名称: | 1-(4-fluorophenyl)-6-[4-(2-methylpropoxycarbonyl)piperazin-1-yl]-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid, Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha | | 著者 | Tachibana, K, Morie, T, Fukuda, S, Yuzuriha, T, Ishimoto, K, Nunomura, K, Lin, B, Miyachi, H, Oki, H, Kawahara, K, Meguro, K, Nakagawa, S, Tsujikawa, K, Akai, S, Doi, T, Yoshida, T. | | 登録日 | 2024-04-01 | | 公開日 | 2025-04-09 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Structural evolution of 1H-pyrazolo[3,4-b]pyridine-derived PPARalpha activators as leads for nonalcoholic steatohepatitis
To Be Published
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