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8HX3
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crystal structure of secreted coleopteran active protein (Sip)
分子名称: GLYCEROL, Secreted coleopteran active protein
著者Chen, Z, Jiang, K, Gao, X.
登録日2023-01-03
公開日2023-07-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural insight into Bacillus thuringiensis Sip1Ab reveals its similarity to ETX_MTX2 family beta-pore-forming toxin.
Pest Manag Sci, 79, 2023
8EDF
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BU of 8edf by Molmil
Bovine Fab SKD in complex with Sars COV-2 receptor binding domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SKD Fab Light chain, SKD Fab heavy chain, ...
著者Stanfield, R.L, Wilson, I.A.
登録日2022-09-04
公開日2023-09-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HUS
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Crystal structure of SARS main protease in complex with S217622
分子名称: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
著者Lin, C, Zhang, J, Li, J.
登録日2022-12-24
公開日2023-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
8EE2
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Crystal Structure of Nanobody VHH219 Bound to Its Antigen PA14 Cif
分子名称: CFTR inhibitory factor, Nanobody VHH219
著者Simard, A.R, Madden, D.R.
登録日2022-09-06
公開日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of Nanobody VHH219 Bound to Its Antigen PA14 Cif
To Be Published
8EFJ
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A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds
分子名称: (4P)-4-[5-(2-chloro-6-fluoroanilino)-6-(methoxymethyl)-1H-indazol-1-yl]-N-methylthiophene-2-carboxamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Park, H, Feng, Y.
登録日2022-09-08
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds
To Be Published
8IGV
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Hexameric Ring Complex of Engineered V1-ATPase bound to 5 ADPs: A3(De)3_(ADP-Pi)1cat(ADP)2cat,2non-cat
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Kosugi, T, Tanabe, M, Koga, N.
登録日2023-02-21
公開日2023-07-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Design of allosteric sites into rotary motor V 1 -ATPase by restoring lost function of pseudo-active sites.
Nat.Chem., 15, 2023
8HUT
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Crystal structure of MERS main protease in complex with S217622
分子名称: 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, ORF1a
著者Lin, C, Zhang, J, Li, J.
登録日2022-12-24
公開日2023-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
7BB4
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Crystal structure of perdeuterated PLL lectin in complex with L-fucose
分子名称: GLYCEROL, PLL lectin, alpha-L-fucopyranose, ...
著者Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M.
登録日2020-12-16
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
8EM5
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Mycobacterium thermoresistible MmpS5
分子名称: DODECAETHYLENE GLYCOL, GLYCEROL, IODIDE ION, ...
著者Cuthbert, B.J, Goulding, C.W.
登録日2022-09-26
公開日2023-09-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The structure of Mycobacterium thermoresistibile MmpS5 reveals a conserved disulfide bond across mycobacteria.
Metallomics, 16, 2024
8HUV
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Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with S217622
分子名称: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
著者Zeng, P, Zhang, J, Li, J.
登録日2022-12-24
公開日2023-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
8EHH
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Crystal structure of the class A extended-spectrum beta-lactamase CTX-M-96 in complex with relebactam at 1.03 Angstrom resolution
分子名称: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者Power, P, Ghiglione, B, Bonomo, R.A, Rodriguez, M.M, Gutkind, G, Klinke, S.
登録日2022-09-14
公開日2023-09-20
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Crystal structure of the class A extended-spectrum beta-lactamase CTX-M-96 in complex with relebactam at 1.03 Angstrom resolution.
Antimicrob.Agents Chemother., 68, 2024
7BBI
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BU of 7bbi by Molmil
Joint X-ray/neutron room temperature structure of H/D-exchanged PLL lectin
分子名称: PLL lectin
著者Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M.
登録日2020-12-17
公開日2021-03-17
最終更新日2024-10-09
実験手法NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION
主引用文献Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
8EIF
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BU of 8eif by Molmil
Crystal structure of unmodified Pseudomonas aeruginosa protein PA0709
分子名称: Antibiotic biosynthesis monooxygenase, CACODYLIC ACID, GLYCEROL, ...
著者Cuthbert, B.J, Goulding, C.W.
登録日2022-09-14
公開日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural characterization of PA0709
To Be Published
8HUU
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BU of 8huu by Molmil
Crystal structure of HCoV-NL63 main protease with S217622
分子名称: 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
著者Zeng, X.Y, Zhang, J, Li, J.
登録日2022-12-24
公開日2023-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
8EZR
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BU of 8ezr by Molmil
Crystal structure of the HipS(Lp)-HipT(Lp) complex from Legionella pneumophila, native protein
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, HipS(Lp), ...
著者Stogios, P.J, Skarina, T, Michalska, K, Di Leo, R, Lin, J, Ensminger, A, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2022-11-01
公開日2023-09-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of the HipS(Lp)-HipT(Lp) complex from Legionella pneumophila, native protein
To Be Published
8EJR
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Kelch domain of human KEAP1 bound to Nrf2 linear peptide, Ac-GDPETGE-NH2
分子名称: Kelch-like ECH-associated protein 1, Linear peptide from Nuclear factor erythroid 2-related factor 2
著者Muellers, S.N, Allen, K.N.
登録日2022-09-18
公開日2023-09-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献The benefit of cyclization: a comparison of cyclic and linear peptide inhibitors of the KEAP1/Nrf2 protein-protein interaction
To Be Published
8EJS
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BU of 8ejs by Molmil
Kelch domain of human KEAP1 bound to Nrf2 linear peptide, Ac-(BAla)DPETGE-NH2
分子名称: Kelch-like ECH-associated protein 1, Peptide from Nuclear factor erythroid 2-related factor 2
著者Muellers, S.N, Allen, K.N.
登録日2022-09-18
公開日2023-09-27
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献The benefit of cyclization: a comparison of cyclic and linear peptide inhibitors of the KEAP1/Nrf2 protein-protein interaction
To Be Published
8IB1
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BU of 8ib1 by Molmil
Structure of the LAH31 Fab bound to an influenza virus HA epitope peptide
分子名称: Hemagglutinin HA2 chain, LAH31 Fab heavy chain, LAH31 Fab light chain
著者Suzuki, T, Hashiguchi, T.
登録日2023-02-09
公開日2023-07-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for cross-group recognition of an influenza virus hemagglutinin antibody that targets postfusion stabilized epitope.
Plos Pathog., 19, 2023
8I60
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BU of 8i60 by Molmil
Crystal structure of GAS41 YEATS domain in complex with histone H3K27cr
分子名称: ALA-ARG-KCR-SER-ALA-PRO, GLYCEROL, SULFATE ION, ...
著者Konuma, T, Zhou, M.-M.
登録日2023-01-26
公開日2023-07-26
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Histone H3 lysine 27 crotonylation mediates gene transcriptional repression in chromatin.
Mol.Cell, 83, 2023
8I87
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BU of 8i87 by Molmil
Cryo-EM structure of TIR-APAZ/Ago-gRNA-DNA complex
分子名称: DNA (5'-D(P*TP*AP*TP*AP*CP*AP*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*A)-3'), MAGNESIUM ION, Piwi domain-containing protein, ...
著者Zhang, H, Deng, Z.Q, Yu, G.M, Li, X.Z, Wang, X.S.
登録日2023-02-03
公開日2023-07-19
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into mechanisms of Argonaute protein-associated NADase activation in bacterial immunity.
Cell Res., 33, 2023
8EZT
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Crystal structure of HipB(Lp) from Legionella pneumophila
分子名称: CHLORIDE ION, HipB(Lp)
著者Stogios, P.J, Skarina, T, Di Leo, R, Lin, J, Ensminger, A, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2022-11-01
公開日2023-09-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal structure of HipB(Lp) from Legionella pneumophila
To Be Published
7BBW
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BU of 7bbw by Molmil
Neisseria gonorrhoeae transaldolase, variant C38S
分子名称: GLYCEROL, Transaldolase
著者Rabe von Pappenheim, F, Wensien, M, Tittmann, K.
登録日2020-12-18
公開日2021-03-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A lysine-cysteine redox switch with an NOS bridge regulates enzyme function.
Nature, 593, 2021
8F22
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BU of 8f22 by Molmil
HIV-CA Disulfide linked Hexamer bound to 11l capsid inhibitor.
分子名称: Capsid protein p24, Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
著者Barnett, M.J, Goldstone, D.C.
登録日2022-11-06
公開日2023-09-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of a benzosulfonamide based inhibitor - bound to a disulfide stabilised HIV-1 capsid hexamer
Biorxiv, 2023
8EGZ
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Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate
分子名称: 1,2-ETHANEDIOL, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, POTASSIUM ION, ...
著者Porter, N.J, Almhjell, P.J, Arnold, F.H.
登録日2022-09-13
公開日2023-10-04
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 20, 2024
7BBR
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Crystal structure of the sugar acid binding protein DctPAm from Advenella mimigardefordensis strain DPN7T
分子名称: 2-KETO-3-DEOXYGLUCONATE, Putative TRAP transporter solute receptor DctP
著者Schaefer, L, Meinert, C, Kobus, S, Hoeppner, A, Smits, S.H, Steinbuechel, A.
登録日2020-12-18
公開日2021-03-24
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of the sugar acid-binding protein CxaP from a TRAP transporter in Advenella mimigardefordensis strain DPN7 T .
Febs J., 288, 2021

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