9F5F
 
 | | UP1 in complex with Z992569480 | | 分子名称: | (3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine, 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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8VRS
 | | Mucin 16 peptide fused to MBP in complex with 4H11-scFv antibody | | 分子名称: | 4H11 scFv chain, Maltose/maltodextrin-binding periplasmic protein,Mucin-16 | | 著者 | Lee, K, Perry, K, Yeku, O.O, Spriggs, D.R. | | 登録日 | 2024-01-22 | | 公開日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Structural basis for antibody recognition of the proximal MUC16 ectodomain.
J Ovarian Res, 17, 2024
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8W0B
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8YYQ
 | | Structure of the HitB F328L mutant | | 分子名称: | Putative ATP-dependent b-aminoacyl-ACP synthetase, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(3-cyanophenyl)propanoyl]sulfamate | | 著者 | Wang, D, Miyanaga, A, Chisuga, T, Kudo, F, Eguchi, T. | | 登録日 | 2024-04-04 | | 公開日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Engineering the Substrate Specificity of (S)-beta-Phenylalanine Adenylation Enzyme HitB.
Chembiochem, 2024
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9F5K
 | | UP1 in complex with Z33546965 | | 分子名称: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-29 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 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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8V2N
 | | Human SIRT3 co-crystallized with ligands, including p53-AMC peptide and Carba-NAD | | 分子名称: | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLN-PRO-LYS-FDL, NAD-dependent protein deacetylase sirtuin-3, ... | | 著者 | Chakrabarti, R, Ghosh, A, Guan, X, Upadhyay, A, Dumpati, R.K, Munshi, S, Roy, S, Chall, S, Rahnamoun, A, Reverdy, C, Errasti, G, Delacroix, T. | | 登録日 | 2023-11-23 | | 公開日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Computationally Driven Discovery and Characterization of SIRT3 Activating Compounds that Fully Recover Catalytic Activity under NAD+ Depletion
biorxiv, 2023
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8TOO
 | | Crystal structure of Epstein-Barr virus gp42 in complex with antibody 4C12 | | 分子名称: | 4C12 heavy chain, 4C12 light chain, Glycoprotein 42 | | 著者 | Bu, W, Kumar, A, Board, N, Kim, J, Dowdell, K, Zhang, S, Lei, Y, Hostal, A, Krogmann, T, Wang, Y, Pittaluga, S, Marcotrigiano, J, Cohen, J.I. | | 登録日 | 2023-08-03 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Epstein-Barr virus gp42 antibodies reveal sites of vulnerability for receptor binding and fusion to B cells.
Immunity, 57, 2024
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8VEL
 | | IsPETase - ACCCC mutant | | 分子名称: | Poly(ethylene terephthalate) hydrolase, SULFATE ION | | 著者 | Joho, Y, Royan, S, Newton, S, Caputo, A.T, Ardevol Grau, A, Jackson, C. | | 登録日 | 2023-12-19 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.624 Å) | | 主引用文献 | Enhancing PET Degrading Enzymes: A Combinatory Approach.
Chembiochem, 25, 2024
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8V4O
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9F5G
 | | UP1 in complex with EN300-115958 | | 分子名称: | 1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]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 (1.8 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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8WSW
 | | The Crystal Structure of LIMK2a from Biortus | | 分子名称: | 1,2-ETHANEDIOL, LIM domain kinase 2, ~{N}-[5-[2-[2,6-bis(chloranyl)phenyl]-5-[bis(fluoranyl)methyl]pyrazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-propanamide | | 著者 | Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W. | | 登録日 | 2023-10-17 | | 公開日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The Crystal Structure of LIMK2a from Biortus.
To Be Published
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8WTF
 | | The Crystal Structure of IRAK4 from Biortus | | 分子名称: | 1,2-ETHANEDIOL, 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4, ... | | 著者 | Wang, F, Cheng, W, Lv, Z, Meng, Q, Xu, Y. | | 登録日 | 2023-10-18 | | 公開日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The Crystal Structure of IRAK4 from Biortus
To Be Published
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8UJF
 | | X-ray crystal structure of Toxoplasma gondii GalNAc-T3 in complex with UDP-GalNAc, Mn2+, and Muc5AC-3,13 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycosyl transferase, MANGANESE (II) ION, ... | | 著者 | Kumar, P, Samara, N.L. | | 登録日 | 2023-10-11 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | | 主引用文献 | A Toxoplasma gondii O-glycosyltransferase that modulates bradyzoite cyst wall rigidity is distinct from host homologues.
Nat Commun, 15, 2024
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8VFU
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8YA6
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8ZKV
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9FBY
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9F63
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8V3K
 | | F95S-F198S epi-Isozizaene Synthase: complex with 3 Mg2+, inorganic pyrophosphate, and benzyl triethyl ammonium cation | | 分子名称: | DIPHOSPHATE, Epi-isozizaene synthase, GLYCEROL, ... | | 著者 | Christianson, D.W, Eaton, S.A. | | 登録日 | 2023-11-28 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Structure-Based Engineering of a Sesquiterpene Cyclase to Generate an Alcohol Product: Conversion of epi -Isozizaene Synthase into alpha-Bisabolol Synthase.
Biochemistry, 63, 2024
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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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8WR5
 | | The Crystal Structure of Mms2 from Biortus | | 分子名称: | 1,2-ETHANEDIOL, SULFATE ION, Ubiquitin-conjugating enzyme E2 variant 2 | | 著者 | Wang, F, Cheng, W, Yuan, Z, Lin, D, Guo, S. | | 登録日 | 2023-10-13 | | 公開日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The Crystal Structure of Mms2 from Biortus.
To Be Published
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8V99
 | | GII.26 Leon 4509 norovirus protruding domain | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Capsid protein VP1, ... | | 著者 | Kher, G, Reese, T, Pancera, M, Hansman, G. | | 登録日 | 2023-12-07 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Development of a broad-spectrum therapeutic Fc-nanobody for human noroviruses.
J.Virol., 2024
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9FBF
 | | VDR complex with UG-481 | | 分子名称: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-5-methyl-1-[(1~{R},2~{R})-2-(3-methyl-3-oxidanyl-butyl)cyclopropyl]-5-oxidanyl-hexyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | 著者 | Rochel, N. | | 登録日 | 2024-05-13 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of New Type of Gemini Analogues with a Cyclopropane Moiety in Their Side Chain.
J.Med.Chem., 67, 2024
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8X1H
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8W0C
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