7C6S
 
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8F0F
 | | HIV-1 wild type protease with GRL-110-19A, a chloroacetamide derivative based on Darunavir as P2' group | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[4-(2-chloroacetamido)benzene-1-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, GLYCEROL, ... | | 著者 | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | | 登録日 | 2022-11-02 | | 公開日 | 2023-02-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Evaluation of darunavir-derived HIV-1 protease inhibitors incorporating P2' amide-derivatives: Synthesis, biological evaluation and structural studies.
Bioorg.Med.Chem.Lett., 83, 2023
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7C7O
 | | Crystal structure of E.coli DNA gyrase B in complex with 6-fluoro-8-(methylamino)-2-oxo-1,2-dihydroquinoline derivative | | 分子名称: | 4-[[4-(3-azanylpropylamino)-6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B | | 著者 | Kamitani, M, Mima, M, Takeuchi, T, Ushiyama, F. | | 登録日 | 2020-05-26 | | 公開日 | 2020-10-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Lead optimization of 8-(methylamino)-2-oxo-1,2-dihydroquinolines as bacterial type II topoisomerase inhibitors.
Bioorg.Med.Chem., 28, 2020
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7C87
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7C9Z
 | | Coxsackievirus B1 F-particle | | 分子名称: | MYRISTIC ACID, PALMITIC ACID, VP1, ... | | 著者 | Feng, R, Wang, K, Rao, Z, Wang, X. | | 登録日 | 2020-06-08 | | 公開日 | 2020-08-12 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Structures of Echovirus 30 in complex with its receptors inform a rational prediction for enterovirus receptor usage.
Nat Commun, 11, 2020
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7CCU
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7SLY
 | | Vanin-1 complexed with Compound 27 | | 分子名称: | (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(1S)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ... | | 著者 | Vajdos, F.F. | | 登録日 | 2021-10-25 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1.
J.Med.Chem., 65, 2022
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7CBG
 | | Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an inhibitor | | 分子名称: | (2S,3R)-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide, Threonine--tRNA ligase, ZINC ION | | 著者 | Guo, J, Chen, B, Zhou, H. | | 登録日 | 2020-06-12 | | 公開日 | 2020-10-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure-guided optimization and mechanistic study of a class of quinazolinone-threonine hybrids as antibacterial ThrRS inhibitors.
Eur.J.Med.Chem., 207, 2020
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7SLV
 | | Vanin-1 complexed with Compound 3 | | 分子名称: | (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(pyrazin-2-yl)methyl]amino}pyrimidin-5-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ... | | 著者 | Vajdos, F.F. | | 登録日 | 2021-10-25 | | 公開日 | 2022-01-12 | | 最終更新日 | 2022-01-26 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1.
J.Med.Chem., 65, 2022
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7Q1W
 | | Ruminococcus gnavus ATC29149 endo-beta-1,4-galactosidase (RgGH98) E411A in complex with blood group A (BgA II) tetrasaccharide | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ... | | 著者 | Owen, C.D, Wu, H, Crost, E.H, van Bakel, W, Gascuena, A.M, Latousakis, D, Hicks, T, Walpole, S, Urbanowicz, P.A, Ndeh, D, Monaco, S, Salom, L.S, Griffiths, R, Colvile, A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N. | | 登録日 | 2021-10-21 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | The human gut symbiont Ruminococcus gnavus shows specificity to blood group A antigen during mucin glycan foraging: Implication for niche colonisation in the gastrointestinal tract.
Plos Biol., 19, 2021
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7CGN
 | | The overall structure of the MlaFEDB complex in ATP-bound EQtall conformation (Mutation of E170Q on MlaF) | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Lipid asymmetry maintenance ABC transporter permease subunit MlaE, Lipid asymmetry maintenance protein MlaB, ... | | 著者 | Chi, X.M, Fan, Q.X, Zhang, Y.Y, Liang, K, Zhou, Q, Li, Y.Y. | | 登録日 | 2020-07-01 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | Structural mechanism of phospholipids translocation by MlaFEDB complex.
Cell Res., 30, 2020
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7SLX
 | | Vanin-1 complexed with Compound 11 | | 分子名称: | (3R)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ... | | 著者 | Vajdos, F.F. | | 登録日 | 2021-10-25 | | 公開日 | 2022-01-12 | | 最終更新日 | 2022-01-26 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1.
J.Med.Chem., 65, 2022
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7CFW
 | | Crystal structure of the receiver domain of sensor histidine kinase PA1611 (PA1611REC) from Pseudomonas aeruginosa PAO1 with calcium ion coordinated in the active site cleft | | 分子名称: | CALCIUM ION, Histidine kinase | | 著者 | Chen, S.K, Guan, H.H, Wu, P.H, Lin, L.T, Wu, M.C, Chang, H.Y, Chen, N.C, Lin, C.C, Chuankhayan, P, Huang, Y.C, Lin, P.J, Chen, C.J. | | 登録日 | 2020-06-29 | | 公開日 | 2020-11-04 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Structural insights into the histidine-containing phospho-transfer protein and receiver domain of sensor histidine kinase suggest a complex model in the two-component regulatory system in Pseudomonas aeruginosa
Iucrj, 7, 2020
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7CII
 | | Crystal structure of L-methionine decarboxylase from Streptomyces sp.590 in complexed with L- methionine methyl ester (external aldimine form). | | 分子名称: | L-methionine decarboxylase, methyl (2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-methylsulfanyl-butanoate | | 著者 | Okawa, A, Shiba, T, Hayashi, M, Onoue, Y, Murota, M, Sato, D, Inagaki, J, Tamura, T, Harada, S, Inagaki, K. | | 登録日 | 2020-07-07 | | 公開日 | 2021-01-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Structural basis for substrate specificity of l-methionine decarboxylase.
Protein Sci., 30, 2021
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7CGE
 | | The overall structure of nucleotide free MlaFEDB complex | | 分子名称: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Lipid asymmetry maintenance ABC transporter permease subunit MlaE, Lipid asymmetry maintenance protein MlaB, ... | | 著者 | Chi, X.M, Fan, Q.X, Zhang, Y.Y, Liang, K, Zhou, Q, Li, Y.Y. | | 登録日 | 2020-07-01 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structural mechanism of phospholipids translocation by MlaFEDB complex.
Cell Res., 30, 2020
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7CLT
 | | Crystal structure of the EFhd1/Swiprosin-2, a mitochondrial actin-binding protein | | 分子名称: | CALCIUM ION, EF-hand domain-containing protein D1, GLYCEROL, ... | | 著者 | Mun, S.A, Park, J, Park, K.R, Lee, Y, Kang, J.Y, Park, T, Jin, M, Yang, J, Jun, C.D, Eom, S.H. | | 登録日 | 2020-07-22 | | 公開日 | 2021-01-06 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.07380986 Å) | | 主引用文献 | Structural and Biochemical Characterization of EFhd1/Swiprosin-2, an Actin-Binding Protein in Mitochondria.
Front Cell Dev Biol, 8, 2020
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7CR2
 | | human KCNQ2 in complex with retigabine | | 分子名称: | Potassium voltage-gated channel subfamily KQT member 2, ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate | | 著者 | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | | 登録日 | 2020-08-12 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
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7CV2
 | | Crystal structure of B. halodurans NiaR in niacin-bound form | | 分子名称: | NICOTINIC ACID, Transcriptional regulator NiaR, ZINC ION | | 著者 | Lee, J.Y, Lee, D.W, Park, Y.W, Lee, M.Y, Jeong, K.H. | | 登録日 | 2020-08-25 | | 公開日 | 2020-12-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.802 Å) | | 主引用文献 | Structural analysis and insight into effector binding of the niacin-responsive repressor NiaR from Bacillus halodurans.
Sci Rep, 10, 2020
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7CLV
 | | Solution structure of mitochondrial Tim23 channel in complex with a signaling peptide | | 分子名称: | COX4 isoform 1, TIM23 isoform 1 | | 著者 | Zhou, S, Ruan, M.S, Li, Y.Y, Yang, J, Richter, C, Schwalbe, H, Shen, B, Wang, J.F. | | 登録日 | 2020-07-22 | | 公開日 | 2020-12-30 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the voltage-gated Tim23 channel in complex with a mitochondrial presequence peptide.
Cell Res., 31, 2021
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7CUF
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7C82
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7C89
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7CAP
 | | Cyclic Lys48-linked triubiquitin | | 分子名称: | Ubiquitin, ZINC ION | | 著者 | Hiranyakorn, M, Yanaka, S, Satoh, T, Wilasri, T, Jityuti, B, Yagi-Utsumi, T, Kato, K. | | 登録日 | 2020-06-09 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | NMR Characterization of Conformational Interconversions of Lys48-Linked Ubiquitin Chains.
Int J Mol Sci, 21, 2020
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6R8Q
 | | STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A BENZOTRIAZOLE FRAGMENT | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | 著者 | Ruza, R.R, Vecchia, L, Jones, E.Y. | | 登録日 | 2019-04-02 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen.
Medchemcomm, 10, 2019
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7CBX
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