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5DZ5
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Crystal structure of Dendroaspis polylepis mambalgin-1 wild-type in P41212 space group
分子名称: Mambalgin-1
著者Stura, E.A, Tepshi, L, Mourier, G, Kessler, P, Servent, D.
登録日2015-09-25
公開日2015-12-30
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mambalgin-1 Pain-relieving Peptide, Stepwise Solid-phase Synthesis, Crystal Structure, and Functional Domain for Acid-sensing Ion Channel 1a Inhibition.
J.Biol.Chem., 291, 2016
5JYN
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BU of 5jyn by Molmil
Structure of the transmembrane domain of HIV-1 gp41 in bicelle
分子名称: Envelope glycoprotein gp160
著者Dev, J, Fu, Q, Park, D, Chen, B, Chou, J.J.
登録日2016-05-14
公開日2016-06-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis for membrane anchoring of HIV-1 envelope spike.
Science, 353, 2016
4AZI
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BU of 4azi by Molmil
Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal exo-beta-D-N-acetylglucosaminidase, StrH
分子名称: 1,2-ETHANEDIOL, BETA-N-ACETYLHEXOSAMINIDASE, BICINE, ...
著者Pluvinage, B, Stubbs, K.A, Vocadlo, D.J, Boraston, A.B.
登録日2012-06-26
公開日2013-07-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Inhibition of the Family 20 Glycoside Hydrolase Catalytic Modules in the Streptococcus Pneumoniae Exo-Beta-D-N-Acetylglucosaminidase, Strh.
Org.Biomol.Chem., 11, 2013
7TCA
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BU of 7tca by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike in complex with antibody A19-46.1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of antibody A19-46.1, ...
著者Zhou, T, Kwong, P.D.
登録日2021-12-23
公開日2022-03-30
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
6BUL
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BU of 6bul by Molmil
Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 2
分子名称: Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Kandale, A, Patel, K.M, Zheng, S, You, L, Guddat, L.W, Schenk, G, Schembri, M.A, McFeary, R.P.
登録日2017-12-10
公開日2018-12-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Design, synthesis, in vitro activity and crystallisation of novel N-isopropyl-N-hydroxyoxamate derivatives as ketol-acid reductoisomerase (KARI) inhibitors
To Be Published
7YJS
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BU of 7yjs by Molmil
Crystal structure of MCR-1-S treated by sodium aurothiosulfate
分子名称: GOLD ION, Probable phosphatidylethanolamine transferase Mcr-1
著者Zhang, Q, Sun, H, Wang, M.
登録日2022-07-20
公開日2023-02-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Gold drugs as colistin adjuvants in the fight against MCR-1 producing bacteria.
J.Biol.Inorg.Chem., 28, 2023
1SZS
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BU of 1szs by Molmil
The structure of gamma-aminobutyrate aminotransferase mutant: I50Q
分子名称: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-aminobutyrate aminotransferase, ...
著者Liu, W, Peterson, P.E, Langston, J.A, Jin, X, Zhou, X, Fisher, A.J, Toney, M.D.
登録日2004-04-06
公開日2005-03-01
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Kinetic and Crystallographic Analysis of Active Site Mutants of Escherichia coligamma-Aminobutyrate Aminotransferase.
Biochemistry, 44, 2005
5AGR
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BU of 5agr by Molmil
Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
分子名称: 1,2-ETHANEDIOL, 3-AMINOMETHYL-7-(ETHOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine, LEUCINE, ...
著者Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
登録日2015-02-03
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5NN5
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BU of 5nn5 by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with 1-deoxynojirimycin
分子名称: 1,2-ETHANEDIOL, 1-DEOXYNOJIRIMYCIN, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Roig-Zamboni, V, Cobucci-Ponzano, B, Iacono, R, Ferrara, M.C, Germany, S, Parenti, G, Bourne, Y, Moracci, M.
登録日2017-04-08
公開日2017-10-25
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of human lysosomal acid alpha-glucosidase-a guide for the treatment of Pompe disease.
Nat Commun, 8, 2017
9EBO
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BU of 9ebo by Molmil
Peptide 2 (GLP-1 (ACPC18)) bound to GLP-1R/Gs complex (conformer 1)
分子名称: Glucagon-like peptide 1 receptor, Glucagon-like peptide 1(7-36), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Cary, B.P, Hager, M.V, Mariam, Z, Morris, R.K, Belousoff, M.J, Deganutti, G, Wootten, D, Sexton, P.M, Gellman, S.H.
登録日2024-11-12
公開日2025-03-26
最終更新日2025-04-16
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献Prolonged signaling of backbone-modified glucagon-like peptide- 1 analogues with diverse receptor trafficking.
Proc.Natl.Acad.Sci.USA, 122, 2025
8BCV
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BU of 8bcv by Molmil
Photosystem I assembly intermediate of Avena sativa
分子名称: (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Naschberger, A, Amunts, A, Nelson, N.
登録日2022-10-17
公開日2023-11-01
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Photosystem I assembly intermediate of Avena sativa
To Be Published
2VCE
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BU of 2vce by Molmil
Characterization and engineering of the bifunctional N- and O- glucosyltransferase involved in xenobiotic metabolism in plants
分子名称: 1,2-ETHANEDIOL, 2,4,5-trichlorophenol, HYDROQUINONE GLUCOSYLTRANSFERASE, ...
著者Brazier-Hicks, M, Offen, W.A, Gershater, M.C, Revett, T.J, Lim, E.K, Bowles, D.J, Davies, G.J, Edwards, R.
登録日2007-09-20
公開日2007-10-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterization and Engineering of the Bifunctional N- and O-Glucosyltransferase Involved in Xenobiotic Metabolism in Plants.
Proc.Natl.Acad.Sci.USA, 104, 2007
6DCW
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BU of 6dcw by Molmil
Crystal structure of human anti-tau antibody CBTAU-27.1 Fab in complex with a human tau peptide
分子名称: Heavy chain of CBTAU27.1 Fab, Light chain of CBTAU27.1 Fab, tau peptide
著者Zhu, X, Zhang, H, Wilson, I.A.
登録日2018-05-08
公開日2018-06-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities.
Acta Neuropathol Commun, 6, 2018
6DD5
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BU of 6dd5 by Molmil
Crystal Structure of the Cas6 Domain of Marinomonas mediterranea MMB-1 Cas6-RT-Cas1 Fusion Protein
分子名称: GLYCEROL, MMB-1 Cas6 Fused to Maltose Binding Protein,CRISPR-associated endonuclease Cas1, SULFATE ION, ...
著者Stamos, J.L, Mohr, G, Silas, S, Makarova, K.S, Markham, L.M, Yao, J, Lucas-Elio, P, Sanchez-Amat, A, Fire, A.Z, Koonin, E.V, Lambowitz, A.M.
登録日2018-05-09
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A Reverse Transcriptase-Cas1 Fusion Protein Contains a Cas6 Domain Required for Both CRISPR RNA Biogenesis and RNA Spacer Acquisition.
Mol. Cell, 72, 2018
7BGI
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BU of 7bgi by Molmil
Photosystem I of a temperature sensitive mutant Chlamydomonas reinhardtii
分子名称: (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, ...
著者Caspy, I, Nelson, N.
登録日2021-01-07
公開日2021-12-08
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.54 Å)
主引用文献Dimeric and high-resolution structures of Chlamydomonas Photosystem I from a temperature-sensitive Photosystem II mutant
Commun Biol, 4, 2021
7BLX
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BU of 7blx by Molmil
Photosystem I of a temperature sensitive mutant Chlamydomonas reinhardtii
分子名称: (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, ...
著者Caspy, I, Nelson, N.
登録日2021-01-19
公開日2021-12-15
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Dimeric and high-resolution structures of Chlamydomonas Photosystem I from a temperature-sensitive Photosystem II mutant
Commun Biol, 4, 2021
6RPG
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BU of 6rpg by Molmil
Structure of human Programmed cell death 1 ligand 1 (PD-L1) with inhibitor
分子名称: Programmed cell death 1 ligand 1, ~{N}-[2-[[4-[[3-[3-[[4-[(2-acetamidoethylamino)methyl]-5-[(5-cyanopyridin-3-yl)methoxy]-2-methyl-phenoxy]methyl]-2-methyl-phenyl]-2-methyl-phenyl]methoxy]-2-[(5-cyanopyridin-3-yl)methoxy]-5-methyl-phenyl]methylamino]ethyl]ethanamide
著者Magiera-Mularz, K, Basu, S, Yang, J, Xu, B, Skalniak, L, Musielak, B, Kholodovych, V, Holak, T.A, Hu, L.
登録日2019-05-14
公開日2019-07-24
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design, Synthesis, Evaluation, and Structural Studies ofC2-Symmetric Small Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein-Protein Interaction.
J.Med.Chem., 62, 2019
6U23
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BU of 6u23 by Molmil
EM structure of MPEG-1(w.t.) soluble pre-pore
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein
著者Pang, S.S, Bayly-Jones, C.
登録日2019-08-19
公開日2019-09-25
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献The cryo-EM structure of the acid activatable pore-forming immune effector Macrophage-expressed gene 1.
Nat Commun, 10, 2019
6MA8
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BU of 6ma8 by Molmil
Human CYP3A4 bound to PMSF
分子名称: 1,2-ETHANEDIOL, Cytochrome P450 3A4, DIMETHYL SULFOXIDE, ...
著者Sevrioukova, I.F.
登録日2018-08-26
公開日2019-01-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Interaction of Human Drug-Metabolizing CYP3A4 with Small Inhibitory Molecules.
Biochemistry, 58, 2019
5L6S
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BU of 5l6s by Molmil
Crystal structure of E. coli ADP-glucose pyrophosphorylase (AGPase) in complex with a positive allosteric regulator beta-fructose-1,6-diphosphate (FBP) - AGPase*FBP
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, Glucose-1-phosphate adenylyltransferase, SULFATE ION
著者Cifuente, J.O, Albesa-Jove, D, Comino, N, Madariaga-Marcos, J, Agirre, J, Lopez-Fernandez, S, Garcia-Alija, M, Guerin, M.E.
登録日2016-05-31
公開日2016-09-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Structural Basis of Glycogen Biosynthesis Regulation in Bacteria.
Structure, 24, 2016
7DV0
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BU of 7dv0 by Molmil
Crystal structure of VIM-2 MBL in complex with 1-(4-(trifluoromethyl)benzyl)-1H-imidazole-2-carboxylic acid
分子名称: 1-[[4-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, GLYCEROL, ...
著者Li, G.-B, Yan, Y.-H.
登録日2021-01-12
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DV1
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BU of 7dv1 by Molmil
Crystal structure of VIM-2 MBL in complex with 1-(4-hydroxybenzyl)-1H-imidazole-2-carboxylic acid
分子名称: 1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Li, G.-B, Yan, Y.-H.
登録日2021-01-12
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.966 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DUZ
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BU of 7duz by Molmil
Crystal structure of VIM-2 MBL in complex with 1-cyclobutyl-1H-imidazole-2-carboxylic acid
分子名称: 1-cyclobutylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Li, G.-B, Yan, Y.-H.
登録日2021-01-12
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
5ZH9
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BU of 5zh9 by Molmil
Crystal Structures of Mutant Endo-beta-1,4-xylanase II (Y88F)
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION
著者Zhang, X, Wan, Q.
登録日2018-03-12
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Crystal Structures of Mutant Endo-beta-1,4-xylanase II
To be published
4YWT
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BU of 4ywt by Molmil
Crystal structure of full-length glypican-1 core protein after controlled crystal dehydration to 87% relative humidity
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Glypican-1
著者Awad, W, Mani, K, Logan, D.T.
登録日2015-03-21
公開日2015-07-29
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structural Aspects of N-Glycosylations and the C-terminal Region in Human Glypican-1.
J.Biol.Chem., 290, 2015

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