7RG5
 
 | | Importin alpha3 in complex with p50 NLS | | 分子名称: | Importin subunit alpha-3, Isoform 3 of Nuclear factor NF-kappa-B p105 subunit | | 著者 | Smith, K.M, Tsimbalyuk, S, Aragao, D, Forwood, J.K. | | 登録日 | 2021-07-14 | | 公開日 | 2021-08-25 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | MERS-CoV ORF4b employs an unusual binding mechanism to target IMP alpha and block innate immunity.
Nat Commun, 13, 2022
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7MCI
 | | MoFe protein from Azotobacter vinelandii with a sulfur-replenished cofactor | | 分子名称: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(8)-S(7) CLUSTER, ... | | 著者 | Kang, W, Lee, C, Hu, Y, Ribbe, M.W. | | 登録日 | 2021-04-02 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Evidence of substrate binding and product release via belt-sulfur mobilization of the nitrogenase cofactor
Nat Catal, 5, 2022
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8DK7
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7MN7
 | | PTP1B F225Y in complex with TCS401 | | 分子名称: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | 著者 | Torgeson, K.R, Page, R, Peti, W. | | 登録日 | 2021-04-30 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
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7MN9
 | | PTP1B 1-284 F225Y-R199N | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | | 著者 | Torgeson, K.R, Page, R, Peti, W. | | 登録日 | 2021-04-30 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
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7MNA
 | | PTP1B 1-284 F225Y-R199N in complex with TCS401 | | 分子名称: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | 著者 | Torgeson, K.R, Page, R, Peti, W. | | 登録日 | 2021-04-30 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
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7MNC
 | | PTP1B L204A | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Torgeson, K.R, Page, R, Peti, W. | | 登録日 | 2021-04-30 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
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7MND
 | | PTP1B L204A in complex with TCS401 | | 分子名称: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | 著者 | Torgeson, K.R, Page, R, Peti, W. | | 登録日 | 2021-04-30 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
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8EA1
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7MNF
 | | PTP1B P206G in complex with TCS401 | | 分子名称: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | 著者 | Torgeson, K.R, Page, R, Peti, W. | | 登録日 | 2021-04-30 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
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7MNE
 | | PTP1B P206G mutation, open state | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | | 著者 | Torgeson, K.R, Page, R, Peti, W. | | 登録日 | 2021-04-30 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
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8R35
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7MTY
 | | The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988569 | | 分子名称: | 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | | 著者 | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | | 登録日 | 2021-05-13 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
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7U5W
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7MNB
 | | PTP1B F225Y-R199N-L195R in complex with TCS401 | | 分子名称: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, CHLORIDE ION, GLYCEROL, ... | | 著者 | Torgeson, K.R, Page, R, Peti, W. | | 登録日 | 2021-04-30 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
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7MOW
 | | PTP1B F225I in complex with TCS401 | | 分子名称: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | 著者 | Torgeson, K.R, Page, R, Peti, W. | | 登録日 | 2021-05-03 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
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8DMM
 | | Structure of the vanadate-trapped MsbA bound to KDL | | 分子名称: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ADP ORTHOVANADATE, ATP-binding transport protein MsbA | | 著者 | Liu, C, Lyu, J, Laganowsky, A.D, Zhao, M. | | 登録日 | 2022-07-08 | | 公開日 | 2022-12-14 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (3.47 Å) | | 主引用文献 | Structural basis for lipid and copper regulation of the ABC transporter MsbA.
Nat Commun, 13, 2022
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7RFK
 | | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor Sinefungin | | 分子名称: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | | 著者 | Horton, J.R, Cheng, X, Zhou, J. | | 登録日 | 2021-07-14 | | 公開日 | 2021-09-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
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7MOV
 | | PTP1B 1-301 F225Y-R199N mutations | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | | 著者 | Torgeson, K.R, Page, R, Peti, W. | | 登録日 | 2021-05-03 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
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7RFL
 | | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor SGC0946 | | 分子名称: | 1,2-ETHANEDIOL, 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, DNA Strand 1, ... | | 著者 | Horton, J.R, Cheng, X, Zhou, J. | | 登録日 | 2021-07-14 | | 公開日 | 2021-09-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
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7MOU
 | | PTP1B F225Y-R199N-L195R | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | | 著者 | Torgeson, K.R, Page, R, Peti, W. | | 登録日 | 2021-05-03 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
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7MU4
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8R34
 | | CryoEM structure of the symmetric Pho90 dimer from yeast with substrates. | | 分子名称: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, Low-affinity phosphate transporter PHO90, PHOSPHATE ION, ... | | 著者 | Schneider, S, Kuehlbrandt, W, Yildiz, O. | | 登録日 | 2023-11-08 | | 公開日 | 2024-04-24 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (2.62 Å) | | 主引用文献 | Complementary structures of the yeast phosphate transporter Pho90 provide insights into its transport mechanism.
Structure, 32, 2024
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7MKZ
 | | PTP1B F225Y mutant, open state | | 分子名称: | CHLORIDE ION, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Torgeson, K.R, Page, R, Peti, W. | | 登録日 | 2021-04-27 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
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7L7L
 | | Crystal structure of HCV NS3/4A D168A protease in complex with NR01-129 | | 分子名称: | 1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, 1,2-ETHANEDIOL, NS3/4A protease, ... | | 著者 | Zephyr, J, Schiffer, C.A. | | 登録日 | 2020-12-29 | | 公開日 | 2021-09-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Discovery of Quinoxaline-Based P1-P3 Macrocyclic NS3/4A Protease Inhibitors with Potent Activity against Drug-Resistant Hepatitis C Virus Variants.
J.Med.Chem., 64, 2021
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