5K6A
 
 | | Trypanosoma brucei Pteridine reductase 1 (PTR1) in complex with compound 1 | | 分子名称: | (2~{R})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Landi, G, Pozzi, C, Di Pisa, F, Dello lacono, L, Mangani, S. | | 登録日 | 2016-05-24 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Chroman-4-One Derivatives Targeting Pteridine Reductase 1 and Showing Anti-Parasitic Activity.
Molecules, 22, 2017
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7PZY
 | | Structure of the vacant Candida albicans 80S ribosome | | 分子名称: | 1,4-DIAMINOBUTANE, 18S ribosomal RNA, 25S ribosomal RNA, ... | | 著者 | Zgadzay, Y, Kolosova, O, Stetsenko, A, Jenner, L, Guskov, A, Yusupova, G, Yusupov, M. | | 登録日 | 2021-10-13 | | 公開日 | 2022-05-18 | | 最終更新日 | 2022-06-08 | | 実験手法 | ELECTRON MICROSCOPY (2.32 Å) | | 主引用文献 | E-site drug specificity of the human pathogen Candida albicans ribosome.
Sci Adv, 8, 2022
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8WFL
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9C8N
 | | Crystal Structure of human cyclic GMP-AMP synthase in complex with AMPPNP and compound 1 | | 分子名称: | 1-[(1S)-6,7-dichloro-1-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-methoxyethan-1-one, Cyclic GMP-AMP synthase, GLYCEROL, ... | | 著者 | Wang, L, Sietsema, D. | | 登録日 | 2024-06-12 | | 公開日 | 2025-04-02 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structural insight into the cGAS active site explains differences between therapeutically relevant species.
Commun Chem, 8, 2025
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5VWM
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5Z4V
 | | Crystal structure of the sheep signalling glycoprotein (SPS-40) complex with 2-methyl-2-4-pentanediol at 1.65A resolution reveals specific binding characteristics of SPS-40 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 1 | | 著者 | Sharma, P, Singh, P.K, Singh, N, Sharma, S, Kaur, P, Betzel, C, Singh, T.P. | | 登録日 | 2018-01-15 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Crystal structure of the sheep signalling glycoprotein (SPS-40) complex with 2-methyl-2-4-pentanediol at 1.65A resolution reveals specific binding characteristics of SPS-40
To Be Published
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7U8P
 | | Structure of porcine kidney V-ATPase with SidK, Rotary State 1 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATPase H(+)-transporting lysosomal accessory protein 2, ATPase H+ transporting accessory protein 1, ... | | 著者 | Tan, Y.Z, Keon, K.A. | | 登録日 | 2022-03-09 | | 公開日 | 2022-07-06 | | 最終更新日 | 2024-02-14 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | CryoEM of endogenous mammalian V-ATPase interacting with the TLDc protein mEAK-7.
Life Sci Alliance, 5, 2022
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6ULA
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9FPD
 | | Crystal structure of human TAK1/TAB1 fusion protein in complex with compound S1 | | 分子名称: | 1,2-ETHANEDIOL, 6-[5-[6-(4-oxidanylcyclohexyl)oxy-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazol-3-yl]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 | | 著者 | Scheufler, C, Lammens, A. | | 登録日 | 2024-06-13 | | 公開日 | 2024-12-04 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.402 Å) | | 主引用文献 | Identification of TAK-756, A Potent TAK1 Inhibitor for the Treatment of Osteoarthritis through Intra-Articular Administration.
J.Med.Chem., 67, 2024
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6GBJ
 | | Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions | | 分子名称: | 1,2-ETHANEDIOL, FORMIC ACID, Parathion hydrolase, ... | | 著者 | Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J. | | 登録日 | 2018-04-15 | | 公開日 | 2018-10-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
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6M5A
 | | Crystal structure of GH121 beta-L-arabinobiosidase HypBA2 from Bifidobacterium longum | | 分子名称: | 1,2-ETHANEDIOL, Beta-L-arabinobiosidase, CALCIUM ION, ... | | 著者 | Saito, K, Arakawa, T, Yamada, C, Fujita, K, Fushinobu, S. | | 登録日 | 2020-03-10 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal structure of beta-L-arabinobiosidase belonging to glycoside hydrolase family 121.
Plos One, 15, 2020
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5H8I
 | | Crystal structure of Medicago truncatula N-carbamoylputrescine amidohydrolase (MtCPA) in complex with N-(dihydroxymethyl)putrescine | | 分子名称: | (4-azanylbutylamino)methanediol, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Sekula, B, Ruszkowski, M, Malinska, M, Dauter, Z. | | 登録日 | 2015-12-23 | | 公開日 | 2016-04-20 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Structural Investigations of N-carbamoylputrescine Amidohydrolase from Medicago truncatula: Insights into the Ultimate Step of Putrescine Biosynthesis in Plants.
Front Plant Sci, 7, 2016
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6UL8
 | | RIP2 kinase catalytic domain complex with (5S,6S,8R)-2-(benzo[d]thiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide | | 分子名称: | (5S,6S,8R)-2-(1,3-benzothiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide, CALCIUM ION, Receptor-interacting serine/threonine-protein kinase 2 | | 著者 | Shewchuk, L.M, Convery, M.A. | | 登録日 | 2019-10-07 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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8ZLG
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7QLB
 | | SMYD3 in complex with fragment FL06268 | | 分子名称: | 1-methylimidazole-4-sulfonamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | | 著者 | Lund, B.A, Cederfelt, D, Dobritzsch, D. | | 登録日 | 2021-12-20 | | 公開日 | 2023-03-29 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening
Rsc Med Chem, 2024
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6ZIY
 | | Respiratory complex I from Thermus thermophilus, NADH dataset, major state | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | 著者 | Kaszuba, K, Tambalo, M, Gallagher, G.T, Sazanov, L.A. | | 登録日 | 2020-06-26 | | 公開日 | 2020-09-02 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (4.25 Å) | | 主引用文献 | Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020
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5O9P
 | | Crystal structure of Gas2 in complex with compound 10 | | 分子名称: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(pyridin-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2 | | 著者 | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | | 登録日 | 2017-06-19 | | 公開日 | 2018-05-02 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
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6CW4
 | | HADDOCK structure of the Rous sarcoma virus matrix protein (M-domain) in complex with inositol 1,3,5-trisphosphate | | 分子名称: | (1R,2S,3r,4R,5S,6s)-2,4,6-trihydroxycyclohexane-1,3,5-triyl tris[dihydrogen (phosphate)], Matrix protein p19 | | 著者 | Vlach, J, Saad, J.S. | | 登録日 | 2018-03-29 | | 公開日 | 2018-10-24 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural basis for targeting avian sarcoma virus Gag polyprotein to the plasma membrane for virus assembly.
J. Biol. Chem., 293, 2018
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6ZKS
 | | Deactive complex I, open1 | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ADENOSINE MONOPHOSPHATE, ... | | 著者 | Kampjut, D, Sazanov, L.A. | | 登録日 | 2020-06-30 | | 公開日 | 2020-10-07 | | 最終更新日 | 2025-04-09 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
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5LLH
 | | Crystal structure of human carbonic anhydrase isozyme II with 4-(1,3-Benzothiazol-2-ylthio)-2,3,5,6-tetrafluorobenzenesulfonamide | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(1,3-benzothiazol-2-ylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide, BICINE, ... | | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | | 登録日 | 2016-07-27 | | 公開日 | 2017-08-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding.
PeerJ, 6, 2018
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6TNS
 | | PI3K delta in complex with 2methoxyN[2methoxy5(7{[(2R)4(oxetan3 yl)morpholin2yl]methoxy}1,3dihydro2 benzofuran5yl)pyridin3yl]ethane1 sulfonamide | | 分子名称: | 2-methoxy-~{N}-[2-methoxy-5-[7-[[(2~{R})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Convery, M.A, Rowland, P, Henley, Z.A, Barton, N, Down, K. | | 登録日 | 2019-12-10 | | 公開日 | 2020-01-01 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Optimization of Orally Bioavailable PI3K delta Inhibitors and Identification of Vps34 as a Key Selectivity Target.
J.Med.Chem., 63, 2020
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5LHV
 | | X-ray structure of uridine phosphorylase from Vibrio cholerae in complex with uridine and sulfate ion at 1.29 A resolution | | 分子名称: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Prokofev, I.I, Lashkov, A.A, Gabdoulkhakov, A.G, Balaev, V.V, Betzel, C, Mikhailov, A.M. | | 登録日 | 2016-07-13 | | 公開日 | 2017-08-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.288 Å) | | 主引用文献 | X-ray structure of uridine phosphorylase from Vibrio cholerae in complex with uridine and sulfate ion at 1.29 A resolution
To Be Published
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6TOL
 | | Crystal structure of human BCL6 BTB domain in complex with compound 25a | | 分子名称: | 1,2-ETHANEDIOL, 5-[[5-chloranyl-2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one, B-cell lymphoma 6 protein, ... | | 著者 | Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | | 登録日 | 2019-12-11 | | 公開日 | 2020-04-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
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6RJF
 | | Echovirus 1 intact particle | | 分子名称: | PALMITIC ACID, VP1, VP2, ... | | 著者 | Domanska, A, Ruokolainen, V.P, Pelliccia, M, Laajala, M.A, Marjomaki, V.S, Butcher, S.J. | | 登録日 | 2019-04-26 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Extracellular Albumin and Endosomal Ions Prime Enterovirus Particles for Uncoating That Can Be Prevented by Fatty Acid Saturation.
J.Virol., 93, 2019
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8ZOM
 | | Cryo-EM structure of pyraclostrobin-bound Arachis hypogaea bc1 complex | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ... | | 著者 | Cui, G.R, Wang, Y.X, Yang, G.F. | | 登録日 | 2024-05-28 | | 公開日 | 2025-06-04 | | 最終更新日 | 2025-07-16 | | 実験手法 | ELECTRON MICROSCOPY (2.74 Å) | | 主引用文献 | Cryo-EM structure of pyraclostrobin-bound Arachis hypogaea bc1 complex
To Be Published
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