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6GRJ
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BU of 6grj by Molmil
Structure of the AhlB pore of the tripartite alpha-pore forming toxin, AHL, from Aeromonas hydrophila.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, AhlB, CHLORIDE ION, ...
著者Churchill-Angus, A.M, Wilson, J.S, Baker, P.J.
登録日2018-06-11
公開日2019-07-03
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Identification and structural analysis of the tripartite alpha-pore forming toxin of Aeromonas hydrophila.
Nat Commun, 10, 2019
5L13
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BU of 5l13 by Molmil
Structure of ALDH2 in complex with 2P3
分子名称: 1,2-ETHANEDIOL, 2,3,5-trimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one, Aldehyde dehydrogenase, ...
著者Buchman, C.D, Hurley, T.D.
登録日2016-07-28
公開日2017-03-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Inhibition of the Aldehyde Dehydrogenase 1/2 Family by Psoralen and Coumarin Derivatives.
J. Med. Chem., 60, 2017
6AM7
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BU of 6am7 by Molmil
Engineered tryptophan synthase b-subunit from Pyrococcus furiosus, PfTrpB2B9
分子名称: PHOSPHATE ION, SODIUM ION, Tryptophan synthase beta chain 1
著者Buller, A.R, van Roye, P.
登録日2017-08-09
公開日2018-05-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Directed Evolution Mimics Allosteric Activation by Stepwise Tuning of the Conformational Ensemble.
J. Am. Chem. Soc., 140, 2018
6HJZ
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BU of 6hjz by Molmil
Xray structure of GLIC in complex with succinate
分子名称: CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ...
著者Fourati, Z, Delarue, M.
登録日2018-09-04
公開日2019-09-18
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural evidence for the binding of monocarboxylates and dicarboxylates at pharmacologically relevant extracellular sites of a pentameric ligand-gated ion channel.
Acta Crystallogr D Struct Biol, 76, 2020
4OQ9
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BU of 4oq9 by Molmil
Satellite Tobacco Mosaic Virus Refined to 1.4 A Resolution using non-crystallographic symmetry restraints
分子名称: Coat protein, MAGNESIUM ION, PHOSPHATE ION, ...
著者Larson, S.B, Day, J.S, McPherson, A.
登録日2014-02-07
公開日2014-09-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Satellite tobacco mosaic virus refined to 1.4 angstrom resolution.
Acta Crystallogr.,Sect.D, 70, 2014
8GAT
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BU of 8gat by Molmil
Structure of human NDS.1 Fab and 1G01 Fab in complex with influenza virus neuraminidase from A/Indiana/10/2011 (H3N2v), based on consensus cryo-EM map with only Fab 1G01 resolved
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 1G01, heavy chain, ...
著者Tsybovsky, Y, Lederhofer, J, Kwong, P.D, Kanekiyo, M.
登録日2023-02-23
公開日2024-02-28
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Protective human monoclonal antibodies target conserved sites of vulnerability on the underside of influenza virus neuraminidase.
Immunity, 57, 2024
8GAU
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BU of 8gau by Molmil
Structure of human NDS.1 Fab and 1G01 Fab in complex with influenza virus neuraminidase from A/Indiana/10/2011 (H3N2v)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 1G01, heavy chain, ...
著者Tsybovsky, Y, Lederhofer, J, Kwong, P.D, Kanekiyo, M.
登録日2023-02-23
公開日2024-02-28
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Protective human monoclonal antibodies target conserved sites of vulnerability on the underside of influenza virus neuraminidase.
Immunity, 57, 2024
8GAV
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BU of 8gav by Molmil
Structure of human NDS.3 Fab in complex with influenza virus neuraminidase from A/Darwin/09/2021 (H3N2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab NDS.3, heavy chain, ...
著者Tsybovsky, Y, Lederhofer, J, Kwong, P.D, Kanekiyo, M.
登録日2023-02-23
公開日2024-02-28
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Protective human monoclonal antibodies target conserved sites of vulnerability on the underside of influenza virus neuraminidase.
Immunity, 57, 2024
6E5B
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BU of 6e5b by Molmil
Human Immunoproteasome 20S particle in complex with compound 1
分子名称: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
著者Steinbacher, S, Augustin, M, Blaesse, M, Harris, S.F.
登録日2018-07-19
公開日2019-09-11
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Design and Evaluation of Highly Selective Human Immunoproteasome Inhibitors Reveal a Compensatory Process That Preserves Immune Cell Viability.
J.Med.Chem., 62, 2019
4GKI
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BU of 4gki by Molmil
Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor 1-NM-PP1
分子名称: 1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ...
著者Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Todorovic, N, Capretta, A, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-08-11
公開日2012-09-05
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.
Biochem.J., 454, 2013
7BTK
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BU of 7btk by Molmil
E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSA01
分子名称: 4-[[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-2H-indol-1-yl]methyl]benzoic acid, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
著者Chen, X, Hu, Y.L, Liu, Q.M, Gao, Y, Yuan, R, Guo, Y.
登録日2020-04-01
公開日2021-03-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Two-Dimensional Design Strategy to Construct Smart Fluorescent Probes for the Precise Tracking of Senescence.
Angew.Chem.Int.Ed.Engl., 60, 2021
7BRS
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BU of 7brs by Molmil
E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSA02
分子名称: 8-[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]octanoic acid, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
著者Chen, X, Hu, Y.L, Gao, Y, Yuan, R, Guo, Y.
登録日2020-03-30
公開日2021-03-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Two-Dimensional Design Strategy to Construct Smart Fluorescent Probes for the Precise Tracking of Senescence.
Angew.Chem.Int.Ed.Engl., 60, 2021
5MVM
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BU of 5mvm by Molmil
X-ray structure of the F14'A -N15'A double mutant of GLIC in complex with propofol
分子名称: 2,6-BIS(1-METHYLETHYL)PHENOL, ACETATE ION, CHLORIDE ION, ...
著者Fourati, Z, Delarue, M.
登録日2017-01-16
公開日2018-03-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献X-ray structure of the F14'A -N15'A double mutant of GLIC in complex with propofol
To Be Published
1HDA
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BU of 1hda by Molmil
A NOVEL ALLOSTERIC MECHANISM IN HAEMOGLOBIN. STRUCTURE OF BOVINE DEOXYHAEMOGLOBIN, ABSENCE OF SPECIFIC CHLORIDE-BINDING SITES AND ORIGIN OF THE CHLORIDE-LINKED BOHR EFFECT IN BOVINE AND HUMAN HAEMOGLOBIN
分子名称: HEMOGLOBIN (DEOXY) (ALPHA CHAIN), HEMOGLOBIN (DEOXY) (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE
著者Fermi, G.
登録日1993-05-06
公開日1994-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A novel allosteric mechanism in haemoglobin. Structure of bovine deoxyhaemoglobin, absence of specific chloride-binding sites and origin of the chloride-linked Bohr effect in bovine and human haemoglobin.
J.Mol.Biol., 233, 1993
6YC4
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BU of 6yc4 by Molmil
Crystal structure of the steady-state activated state of the light-driven sodium pump KR2 in the pentameric form at room temperature, pH 8.0
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, GLYCEROL, ...
著者Kovalev, K, Gushchin, I, Gordeliy, V.
登録日2020-03-18
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular mechanism of light-driven sodium pumping.
Nat Commun, 11, 2020
5UE6
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BU of 5ue6 by Molmil
Structure of nitrite reductase AniA from Neisseria gonorrhoeae, space group I4122
分子名称: COPPER (II) ION, Nitrite reductase, SODIUM ION
著者Hamza, A, Williamson, Z.A, Reed, R.W, Sikora, A.E, Korotkov, K.V.
登録日2016-12-29
公開日2017-02-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Peptide Inhibitors Targeting the Neisseria gonorrhoeae Pivotal Anaerobic Respiration Factor AniA.
Antimicrob. Agents Chemother., 61, 2017
3G6E
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BU of 3g6e by Molmil
Co-crystal structure of Homoharringtonine bound to the large ribosomal subunit
分子名称: (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine, 23S ribosomal RNA, 50S ribosomal protein L10E, ...
著者Gurel, G, Blaha, G, Moore, P.B, Steitz, T.A.
登録日2009-02-06
公開日2009-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献U2504 determines the species specificity of the A-site cleft antibiotics: the structures of tiamulin, homoharringtonine, and bruceantin bound to the ribosome.
J.Mol.Biol., 389, 2009
6ZL4
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BU of 6zl4 by Molmil
the structure of glutamate transporter homologue GltTk in complex with the photo switchable compound (cis)
分子名称: (2~{S},3~{S})-2-azanyl-3-[[4-[2-(4-methoxyphenyl)hydrazinyl]phenyl]methoxy]butanedioic acid, DECYL-BETA-D-MALTOPYRANOSIDE, DI(HYDROXYETHYL)ETHER, ...
著者Arkhipova, V, Slotboom, D.J, Guskov, A.
登録日2020-06-30
公開日2021-01-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Aspects of Photopharmacology: Insight into the Binding of Photoswitchable and Photocaged Inhibitors to the Glutamate Transporter Homologue.
J.Am.Chem.Soc., 143, 2021
4RYD
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BU of 4ryd by Molmil
X-ray structure of human furin in complex with the competitive inhibitor para-guanidinomethyl-Phac-R-Tle-R-Amba
分子名称: CALCIUM ION, FORMIC ACID, Furin, ...
著者Dahms, S.O, Than, M.E.
登録日2014-12-15
公開日2015-05-27
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Novel Furin Inhibitors with Potent Anti-infectious Activity.
Chemmedchem, 10, 2015
4TPY
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BU of 4tpy by Molmil
High throughput screening using acoustic droplet ejection to combine protein crystals and chemical libraries on crystallization plates at high density
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, ...
著者Teplitsky, E, Joshi, K, Mullen, J.D, Soares, A.S.
登録日2014-06-10
公開日2014-10-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献High throughput screening using acoustic droplet ejection to combine protein crystals and chemical libraries on crystallization plates at high density.
J.Struct.Biol., 191, 2015
6WHZ
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BU of 6whz by Molmil
Histone deacetylases complex with peptide macrocycles
分子名称: Histone deacetylase 2, SODIUM ION, TETRAETHYLENE GLYCOL, ...
著者Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
登録日2020-04-08
公開日2021-04-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
3I55
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BU of 3i55 by Molmil
Co-crystal structure of Mycalamide A Bound to the Large Ribosomal Subunit
分子名称: 23S ribosomal RNA, 50S ribosomal protein L10E, 50S ribosomal protein L10e, ...
著者Gurel, G, Blaha, G, Steitz, T.A, Moore, P.B.
登録日2009-07-03
公開日2010-03-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Structures of triacetyloleandomycin and mycalamide A bind to the large ribosomal subunit of Haloarcula marismortui.
Antimicrob.Agents Chemother., 53, 2009
6ZLH
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BU of 6zlh by Molmil
the structure of glutamate transporter homologue GltTk in complex with the photo switchable compound (trans)
分子名称: (2~{S},3~{S})-2-azanyl-3-[[4-[2-(4-methoxyphenyl)hydrazinyl]phenyl]methoxy]butanedioic acid, DECYL-BETA-D-MALTOPYRANOSIDE, DI(HYDROXYETHYL)ETHER, ...
著者Arkhipova, V, Slotboom, D.J, Guskov, A.
登録日2020-06-30
公開日2021-01-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Aspects of Photopharmacology: Insight into the Binding of Photoswitchable and Photocaged Inhibitors to the Glutamate Transporter Homologue.
J.Am.Chem.Soc., 143, 2021
3G4S
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BU of 3g4s by Molmil
Co-crystal structure of Tiamulin bound to the large ribosomal subunit
分子名称: 23S ribosomal RNA, 50S ribosomal protein L10, 50S ribosomal protein L10e, ...
著者Gurel, G, Blaha, G, Moore, P.B, Steitz, T.A.
登録日2009-02-04
公開日2009-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献U2504 determines the species specificity of the A-site cleft antibiotics: the structures of tiamulin, homoharringtonine, and bruceantin bound to the ribosome.
J.Mol.Biol., 389, 2009
6ZHV
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BU of 6zhv by Molmil
Crystal structure of OmpF porin soaked in ciprofloxacin metaloantibiotic
分子名称: 2-[2-(2-octoxyethoxy)ethoxy]ethanol, MAGNESIUM ION, Outer membrane porin F, ...
著者Sousa, C.F, Morais-Cabral, J, Gameiro, P.
登録日2020-06-23
公開日2021-05-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.945 Å)
主引用文献Crystal structure of OmpF porin soaked in ciprofloxacin metaloantibiotic
To Be Published

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件を2024-08-07に公開中

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