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1ZBB
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BU of 1zbb by Molmil
Structure of the 4_601_167 Tetranucleosome
分子名称: DNA STRAND 1 (ARBITRARY MODEL SEQUENCE), DNA STRAND 2 (ARBITRARY MODEL SEQUENCE), HISTONE H3, ...
著者Schalch, T, Duda, S, Sargent, D.F, Richmond, T.J.
登録日2005-04-08
公開日2005-07-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (9 Å)
主引用文献X-ray structure of a tetranucleosome and its implications for the chromatin fibre.
Nature, 436, 2005
6MY4
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BU of 6my4 by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98M,HC-G99M,LC-S30bR]
分子名称: 1,2-ETHANEDIOL, anti-VEGF-A Fab fragment bH1 heavy chain, anti-VEGF-A Fab fragment bH1 light chain
著者Shi, R, Picard, M.-E, Manenda, M.
登録日2018-11-01
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
7ZUT
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BU of 7zut by Molmil
Penicillium expansum chimera loop1
分子名称: Antifungal protein, CHLORIDE ION, SULFATE ION
著者Gallego, F, Marina, A, Manzanares, P, Marcos, J.F, Giner Llorca, M.
登録日2022-05-13
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Rationally designed antifungal protein chimeras reveal new insights into structure-activity relationship.
Int.J.Biol.Macromol., 225, 2023
7ZVH
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BU of 7zvh by Molmil
Penicillium expansum antifungal protein B
分子名称: Antifungal protein, CHLORIDE ION
著者Gallego del Sol, F, Marina, A, Manzanares, P, Marcos, J.F, Giner Llorca, M.
登録日2022-05-16
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Rationally designed antifungal protein chimeras reveal new insights into structure-activity relationship.
Int.J.Biol.Macromol., 225, 2023
7ZW2
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BU of 7zw2 by Molmil
Penicillium expansum antifungal protein B
分子名称: Antifungal protein, CHLORIDE ION
著者Gallego del Sol, F, Marina, A, Manzanares, P, Marcos, J.F, Giner Llorca, M.
登録日2022-05-18
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Rationally designed antifungal protein chimeras reveal new insights into structure-activity relationship.
Int.J.Biol.Macromol., 225, 2023
7ZTF
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BU of 7ztf by Molmil
Penicillium expansum antifungal protein B
分子名称: Antifungal protein, CHLORIDE ION, SODIUM ION
著者Gallego del Sol, F, Marina, A, Manzanares, P, Marcos, J.F, Giner Llorca, M.
登録日2022-05-10
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Rationally designed antifungal protein chimeras reveal new insights into structure-activity relationship.
Int.J.Biol.Macromol., 225, 2023
7ZTJ
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BU of 7ztj by Molmil
Penicillium expansum antifungal protein chimera C-ter
分子名称: Antifungal protein, CHLORIDE ION
著者Gallego, F, Marina, A, Manzanares, P, Marcos, J.F, Giner Llorca, M.
登録日2022-05-10
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Rationally designed antifungal protein chimeras reveal new insights into structure-activity relationship.
Int.J.Biol.Macromol., 225, 2023
6MY5
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BU of 6my5 by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98F,HC-G99M,LC-S30bR]
分子名称: 1,2-ETHANEDIOL, anti-VEGF-A Fab fragment bH1 heavy chain, anti-VEGF-A Fab fragment bH1 light chain
著者Shi, R.
登録日2018-11-01
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
7ZPT
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BU of 7zpt by Molmil
Crystal structure of MreB from Geobacillus stearothermophilus ATCC7953
分子名称: Cell shape-determining protein MreB, PENTAETHYLENE GLYCOL
著者Li de la Sierra-Gallay, I, Mao, W.
登録日2022-04-28
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献On the role of nucleotides and lipids in the polymerization of the actin homolog MreB from a Gram-positive bacterium.
Elife, 12, 2023
7ZPU
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BU of 7zpu by Molmil
Crystal structure of MreB from Geobacillus stearothermophilus ATCC7953 in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cell shape-determining protein MreB
著者Li de la Sierra-Gallay, I, Mao, W.
登録日2022-04-28
公開日2023-05-10
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献On the role of nucleotides and lipids in the polymerization of the actin homolog MreB from a Gram-positive bacterium.
Elife, 12, 2023
6MXS
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BU of 6mxs by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98F,HC-G99M]
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
著者Shi, R, Picard, M.-E, Manenda, M.S.
登録日2018-10-31
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
6NW8
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BU of 6nw8 by Molmil
SOLUTION STRUCTURE OF CN29, A TOXIN FROM CENTRUROIDES NOXIUS SCORPION VENOM
分子名称: Cn29
著者Delepierre, M, Gurrola, G.B, Possani, L.D, Guijarro, J.I.
登録日2019-02-06
公開日2019-07-03
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Cn29, a novel orphan peptide found in the venom of the scorpion Centruroides noxius: Structure and function.
Toxicon, 167, 2019
4LGV
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BU of 4lgv by Molmil
X-ray crystal structure of Glucose-6-phosphate 1-dehydrogenase from Mycobacterium avium
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-06-28
公開日2013-07-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
6NUX
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BU of 6nux by Molmil
CD1a-lipid binary complex
分子名称: (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, 1,2-ETHANEDIOL, Beta-2-microglobulin, ...
著者Wegrecki, M, Le Nours, J, Rossjohn, J.
登録日2019-02-03
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Human T cell response to CD1a and contact dermatitis allergens in botanical extracts and commercial skin care products.
Sci Immunol, 5, 2020
4O2D
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BU of 4o2d by Molmil
Crystal structure of aspartyl-tRNA synthetase from Mycobacterium smegmatis with bound aspartic acid
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ASPARTIC ACID, Aspartate--tRNA ligase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-12-17
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
6FHX
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BU of 6fhx by Molmil
Photorhabdus asymbiotica lectin (PHL) in complex with synthetic C-fucoside
分子名称: (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{R})-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol, CHLORIDE ION, Lectin PHL, ...
著者Houser, J, Jancarikova, G, Wimmerova, M.
登録日2018-01-16
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Fucosylated inhibitors of recently identified bangle lectin from Photorhabdus asymbiotica.
Sci Rep, 9, 2019
6FHY
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BU of 6fhy by Molmil
Photorhabdus asymbiotica lectin (PHL) in complex with synthetic C-fucoside
分子名称: (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{S},4~{R},6~{R})-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Houser, J, Jancarikova, G, Wimmerova, M.
登録日2018-01-16
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Fucosylated inhibitors of recently identified bangle lectin from Photorhabdus asymbiotica.
Sci Rep, 9, 2019
6FLU
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BU of 6flu by Molmil
Photorhabdus asymbiotica lectin (PHL) in complex with synthetic C-fucoside
分子名称: (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{S})-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol, CHLORIDE ION, Photorhabdus asymbitoca lectin PHL, ...
著者Houser, J, Jancarikova, G, Wimmerova, M.
登録日2018-01-28
公開日2019-02-06
最終更新日2019-10-30
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Fucosylated inhibitors of recently identified bangle lectin from Photorhabdus asymbiotica.
Sci Rep, 9, 2019
7B2U
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BU of 7b2u by Molmil
Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 1
分子名称: (5S)-5-(cyclohexylmethyl)-3-(5-fluoropyridin-3-yl)imidazolidine-2,4-dione, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Talibov, V.O.
登録日2020-11-27
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
J.Am.Chem.Soc., 144, 2022
7B5Z
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BU of 7b5z by Molmil
Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 6
分子名称: 2-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(4-methylenepiperidin-1-yl)ethan-1-one, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Talibov, V.O.
登録日2020-12-07
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
J.Am.Chem.Soc., 144, 2022
7B77
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BU of 7b77 by Molmil
Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 8
分子名称: 2-(benzotriazol-1-yl)-~{N}-ethyl-~{N}-(furan-3-ylmethyl)ethanamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Talibov, V.O.
登録日2020-12-09
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
J.Am.Chem.Soc., 144, 2022
7AU4
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BU of 7au4 by Molmil
Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 3
分子名称: (3~{S})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Talibov, V.O.
登録日2020-11-02
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
J.Am.Chem.Soc., 144, 2022
7B2J
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BU of 7b2j by Molmil
Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 5
分子名称: 2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, ...
著者Talibov, V.O.
登録日2020-11-27
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
J.Am.Chem.Soc., 144, 2022
3QUM
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BU of 3qum by Molmil
Crystal structure of human prostate specific antigen (PSA) in Fab sandwich with a high affinity and a PCa selective antibody
分子名称: Fab 5D3D11 Heavy Chain, Fab 5D3D11 Light Chain, Fab 5D5A5 Heavy Chain, ...
著者Stura, E.A, Muller, B.H, Michel, S, Ducancel, F.
登録日2011-02-24
公開日2011-11-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of human prostate-specific antigen in a sandwich antibody complex.
J.Mol.Biol., 414, 2011
2WR9
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BU of 2wr9 by Molmil
CRYSTAL STRUCTURE OF BURKHOLDERIA CENOCEPACIA LECTIN (BCLA) COMPLEXED WITH AMAN1-3MAN DISACCHARIDE
分子名称: CALCIUM ION, LECTIN, SULFATE ION, ...
著者Lameignere, E, Shiao, T.C, Roy, R, Wimmerova, M, Dubreuil, F, Varrot, A, Imberty, A.
登録日2009-09-01
公開日2009-09-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Basis of the Affinity for Oligomannosides and Analogs Displayed by Bc2L-A, a Burkholderia Cenocepacia Soluble Lectin.
Glycobiology, 20, 2010

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