9B9N
 
 | | Crystal structure of FlcD from Pseudomonas aeruginosa bound to iron (II) and substrate | | 分子名称: | (2R)-2-{[(2Z)-2-(hydroxyimino)ethyl]sulfanyl}butanedioic acid, FE (III) ION, Pyrroloquinoline quinone (Coenzyme PQQ) biosynthesis protein C | | 著者 | Walker, M.E, Grove, T.L, Li, B, Redinbo, M.R. | | 登録日 | 2024-04-02 | | 公開日 | 2024-07-31 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Structural Basis for Methine Excision by a Heme Oxygenase-like Enzyme
Acs Cent.Sci., 2024
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9NSE
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, ETHYL-ISOSELENOUREA COMPLEX | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLIC ACID, ... | | 著者 | Li, H, Raman, C.S, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L. | | 登録日 | 1999-01-13 | | 公開日 | 2000-10-25 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Mapping the active site polarity in structures of endothelial nitric oxide synthase heme domain complexed with isothioureas.
J.Inorg.Biochem., 81, 2000
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9AVT
 | | Structure of TAB2 NZF domain bound to K6 / Lys6-linked diubiquitin | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, SULFATE ION, TGF-beta-activated kinase 1 and MAP3K7-binding protein 2, ... | | 著者 | Michel, M.A, Scutts, S, Komander, D. | | 登録日 | 2024-03-04 | | 公開日 | 2024-07-31 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure of TAB2 NZF domain bound to K6 / Lys6-linked diubiquitin
To be published
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9F4Z
 | | UP1 in complex with Z57040482 | | 分子名称: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(2-hydroxyphenyl)acetamide | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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9BKW
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9B9O
 | | Crystal structure of FlcD from Pseudomonas aeruginosa bond to iron(II) and substrate | | 分子名称: | (2R)-2-{[(2Z)-2-(hydroxyimino)ethyl]sulfanyl}butanedioic acid, FE (II) ION, Pyrroloquinoline quinone (Coenzyme PQQ) biosynthesis protein C | | 著者 | Walker, M.E, Grove, T.L, Li, B, Redinbo, M.R. | | 登録日 | 2024-04-02 | | 公開日 | 2024-07-31 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Structural Basis for Methine Excision by a Heme Oxygenase-like Enzyme
Acs Cent.Sci., 2024
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9F55
 | | UP1 in complex with Z235361315 | | 分子名称: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(3-azanyl-2-methyl-phenyl)propanamide | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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8P5R
 | | Crystal structure of full-length, homohexameric 2-oxoglutarate dehydrogenase KGD from Mycobacterium smegmatis in complex with GarA | | 分子名称: | CALCIUM ION, Glycogen accumulation regulator GarA, MAGNESIUM ION, ... | | 著者 | Wagner, T, Mechaly, A.M, Alzari, P.M, Bellinzoni, M. | | 登録日 | 2023-05-24 | | 公開日 | 2023-08-16 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (4.562 Å) | | 主引用文献 | High resolution cryo-EM and crystallographic snapshots of the actinobacterial two-in-one 2-oxoglutarate dehydrogenase.
Nat Commun, 14, 2023
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9F4F
 | | UP1 in complex with Z86417414 | | 分子名称: | 2-fluoranyl-~{N}-(1,3,4-thiadiazol-2-yl)benzamide, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-27 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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9AUL
 | | Structure of SARS-CoV-2 Mpro mutant (A173V,T304I)) in complex with Nirmatrelvir (PF-07321332) | | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | 著者 | Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | 登録日 | 2024-02-29 | | 公開日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.421 Å) | | 主引用文献 | In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
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8XBG
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9HVP
 | | Design, activity and 2.8 Angstroms crystal structure of a C2 symmetric inhibitor complexed to HIV-1 protease | | 分子名称: | HIV-1 Protease, benzyl [(1R,4S,6S,9R)-4,6-dibenzyl-5-hydroxy-1,9-bis(1-methylethyl)-2,8,11-trioxo-13-phenyl-12-oxa-3,7,10-triazatridec-1-yl]carbamate | | 著者 | Neidhart, D.J, Erickson, J. | | 登録日 | 1990-11-06 | | 公開日 | 1992-04-15 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Design, activity, and 2.8 A crystal structure of a C2 symmetric inhibitor complexed to HIV-1 protease.
Science, 249, 1990
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8XIG
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8XDT
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9F4O
 | | UP1 in complex with Z991506900 | | 分子名称: | (3~{R})-3-methyl-1-(6-methylpyridin-2-yl)piperazine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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9F4Y
 | | UP1 in complex with Z90120418 | | 分子名称: | 1-(3,4,5-trimethoxyphenyl)methanamine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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9EO5
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9F5E
 | | UP1 in complex with Z30820160 | | 分子名称: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(4-methyl-1,3-thiazol-2-yl)propanamide | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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8ZFW
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9WGA
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9BUV
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8XCG
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9EZ8
 | | Cryo-EM structure of the icosahedral lumazine synthase from Vicia faba. | | 分子名称: | 6,7-dimethyl-8-ribityllumazine synthase | | 著者 | Chee, M, Trapani, S, Hoh, F, Lai Kee Him, J, Yvon, M, Blanc, S, Bron, P. | | 登録日 | 2024-04-11 | | 公開日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Cryo-EM structure of the icosahedral lumazine synthase from Vicia faba.
To Be Published
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8YC0
 | | T cell receptor V delta2 V gamma9 in GDN | | 分子名称: | CHOLESTEROL, T cell receptor delta variable 2,T cell receptor delta constant, T cell receptor gamma variable 9,T cell receptor gamma constant 1, ... | | 著者 | Xin, W, Huang, B, Chi, X, Xu, M, Zhang, Y, Li, X, Su, Q, Zhou, Q. | | 登録日 | 2024-02-17 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (4.12 Å) | | 主引用文献 | Structures of human gamma delta T cell receptor-CD3 complex.
Nature, 630, 2024
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9F4K
 | | UP1 in complex with ZINC72259689 | | 分子名称: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(cyclobutylmethyl)-1,3-dimethyl-pyrazole-4-carboxamide | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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