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6QQE
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BU of 6qqe by Molmil
Room temperature structure of Hen Egg White Lysozyme recorded after an accumulated dose of 20 kGy
分子名称: CHLORIDE ION, Lysozyme C
著者Gotthard, G, Aumonier, S, Royant, A.
登録日2019-02-18
公開日2019-06-19
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Specific radiation damage is a lesser concern at room temperature.
Iucrj, 6, 2019
6QPE
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BU of 6qpe by Molmil
Engineered beta-lactoglobulin: variant L58F
分子名称: ACETATE ION, Beta-lactoglobulin
著者Loch, J.I, Kaczor, K, Leiwnski, K.
登録日2019-02-13
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-based design approach to rational site-directed mutagenesis of beta-lactoglobulin.
J.Struct.Biol., 210, 2020
6QUI
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BU of 6qui by Molmil
GHK tagged GFP variant at 17Kev
分子名称: COPPER (II) ION, GLYCEROL, Green fluorescent protein, ...
著者Huyton, T, Gorlich, D.
登録日2019-02-27
公開日2020-05-27
最終更新日2022-12-07
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献The copper(II)-binding tripeptide GHK, a valuable crystallization and phasing tag for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 76, 2020
6QM7
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BU of 6qm7 by Molmil
Leishmania tarentolae proteasome 20S subunit complexed with GSK3494245
分子名称: Proteasome alpha1 chain, Proteasome alpha2 chain, Proteasome alpha3 chain, ...
著者Rowland, P, Goswami, P.
登録日2019-02-01
公開日2019-04-17
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Preclinical candidate for the treatment of visceral leishmaniasis that acts through proteasome inhibition.
Proc.Natl.Acad.Sci.USA, 116, 2019
6QWA
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BU of 6qwa by Molmil
Crystal structure of KPC-3 complexed with relebactam (16 hour soak)
分子名称: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid, Beta-lactamase, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2019-03-05
公開日2019-08-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
4OGY
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BU of 4ogy by Molmil
Crystal structure of Fab DX-2930 in complex with human plasma kallikrein at 2.1 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, DX-2930 HEAVY CHAIN, DX-2930 LIGHT CHAIN, ...
著者Edwards, T.E, Clifton, M.C, Abendroth, J, Nixon, A, Ladner, R.
登録日2014-01-16
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibition of plasma kallikrein by a highly specific active site blocking antibody.
J.Biol.Chem., 289, 2014
6QMU
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BU of 6qmu by Molmil
A tetrahedral boronic acid diester formed by a non-natural amino acid in the ligand pocket of an engineered lipocalin
分子名称: 3-nitrophenol, Neutrophil gelatinase-associated lipocalin
著者Skerra, A, Eichinger, A.
登録日2019-02-08
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献A Tetrahedral Boronic Acid Diester Formed by an Unnatural Amino Acid in the Ligand Pocket of an Engineered Lipocalin.
Chembiochem, 21, 2020
7N8C
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BU of 7n8c by Molmil
Joint X-ray/neutron structure of SARS-CoV-2 main protease (Mpro) in complex with Mcule5948770040
分子名称: 3C-like proteinase, 6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-06-14
公開日2021-06-23
最終更新日2023-10-25
実験手法NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION
主引用文献Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
6QMS
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BU of 6qms by Molmil
NF-YB/C Heterodimer in Complex with NF-YA-derived Peptide Stabilized with C11-Hydrocarbon Linker
分子名称: Nuclear transcription factor Y subunit alpha, Nuclear transcription factor Y subunit beta, Nuclear transcription factor Y subunit gamma
著者Kiehstaller, S, Jeganathan, S, Pearce, N.M, Wendt, M, Grossmann, T.N, Hennig, S.
登録日2019-02-08
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Constrained Peptides with Fine-Tuned Flexibility Inhibit NF-Y Transcription Factor Assembly.
Angew.Chem.Int.Ed.Engl., 58, 2019
2ZO6
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BU of 2zo6 by Molmil
Crystal Structure of Kusabira-Cyan (KCY), a Cyan-Emitting GFP-Like Protein
分子名称: CYAN-EMITTING GFP-LIKE PROTEIN, KUSABIRA-CYAN (KCY)
著者Kikuchi, A, Fukumura, E, Karasawa, S, Miyawaki, A, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2008-05-06
公開日2009-05-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of a new cyan fluorescent protein and its hue-shifted variants
Biochemistry, 48, 2009
6QPO
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BU of 6qpo by Molmil
Adenovirus species D serotype 49 Fiber-Knob KO1 mutant
分子名称: Fiber, SULFATE ION
著者Baker, A.T, Rizkallah, P.J.
登録日2019-02-14
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The Fiber Knob Protein of Human Adenovirus Type 49 Mediates Highly Efficient and Promiscuous Infection of Cancer Cell Lines Using a Novel Cell Entry Mechanism.
J.Virol., 95, 2021
6QPV
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BU of 6qpv by Molmil
Crystal structure of as isolated Y323A mutant of haem-Cu containing nitrite reductase from Ralstonia pickettii
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, HEME C
著者Antonyuk, S.V, Shenoy, R.T, Hedison, T.M, Eady, R.R, Hasnain, S.S, Scrutton, N.S.
登録日2019-02-15
公開日2019-11-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis.
Acs Catalysis, 9, 2019
6QW8
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BU of 6qw8 by Molmil
Crystal structure of CTX-M-15 complexed with relebactam (16 hour soak)
分子名称: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, GLYCEROL, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2019-03-05
公開日2019-08-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
6QWE
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BU of 6qwe by Molmil
Crystal structure of KPC-4
分子名称: Beta-lactamase, GLYCEROL, SULFATE ION
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2019-03-05
公開日2019-08-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
6QP2
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BU of 6qp2 by Molmil
Crystal structure of the PLP-bound C-S lyase from Staphylococcus hominis
分子名称: Aminotransferase, PYRIDOXAL-5'-PHOSPHATE, Polyhistidine tag
著者Herman, R, Rudden, M, Wilkinson, A.J, Hanai, S, Thomas, G.H.
登録日2019-02-13
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The molecular basis of thioalcohol production in human body odour.
Sci Rep, 10, 2020
6QWC
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BU of 6qwc by Molmil
Crystal structure of KPC-4 complexed with relebactam (1 hour soak)
分子名称: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, GLYCEROL, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2019-03-05
公開日2019-08-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
6QWI
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BU of 6qwi by Molmil
Structure of beta-glucosidase A from Paenibacillus polymyxa complexed with multivalent inhibitors.
分子名称: (2~{S},3~{S},4~{R})-2-[[4-[4-(2-ethoxyethoxy)phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol, Beta-glucosidase A
著者Jimenez-Ortega, E, Sanz-Aparicio, J.
登録日2019-03-05
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural basis of the inhibition of GH1 beta-glucosidases by multivalent pyrrolidine iminosugars.
Bioorg.Chem., 89, 2019
6QUH
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BU of 6quh by Molmil
GHK tagged GFP variant crystal form II at 1.34A wavelength
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, COPPER (II) ION, ...
著者Huyton, T, Gorlich, D.
登録日2019-02-27
公開日2020-05-27
最終更新日2022-12-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The copper(II)-binding tripeptide GHK, a valuable crystallization and phasing tag for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 76, 2020
6R0L
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BU of 6r0l by Molmil
Histone fold domain of OsGhd8/NF-YC7 in I2
分子名称: GLYCEROL, OsGhd8, OsNF-YC7
著者Chaves-Sanjuan, A, Gobbini, A, Nardini, M.
登録日2019-03-13
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural determinants for NF-Y subunit organization and NF-Y/DNA association in plants.
Plant J., 105, 2021
4LU1
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BU of 4lu1 by Molmil
Crystal structure of the uncharacterized Maf protein YceF from E. coli, mutant D69A
分子名称: Maf-like protein YceF, UNKNOWN ATOM OR ION
著者Dong, A, Xu, X, Cui, H, Tchigvintsev, A, Flick, R, Brown, G, Popovic, A, Yakunin, A.F, Savchenko, A, Structural Genomics Consortium (SGC)
登録日2013-07-24
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Biochemical and structural studies of conserved maf proteins revealed nucleotide pyrophosphatases with a preference for modified nucleotides.
Chem.Biol., 20, 2013
7KA1
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BU of 7ka1 by Molmil
1.60 Angstrom resolution crystal structure of the beta-Q114A mutant Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and cesium ion at the metal coordination site
分子名称: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2020-09-29
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献1.60 Angstrom resolution crystal structure of the beta-Q114A mutant Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and cesium ion at the metal coordination site.
To be Published
7KBN
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BU of 7kbn by Molmil
1.60 Angstrom resolution crystal structure of the beta-Q114A mutant of Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site, and 2-aminophenol quinonoid at the enzyme beta site
分子名称: (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2020-10-02
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献1.60 Angstrom resolution crystal structure of the beta-Q114A mutant of Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site, and 2-aminophenol quinonoid at the enzyme beta site.
To be Published
4MB9
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BU of 4mb9 by Molmil
Structure of Streptococcus pneumonia ParE in complex with AZ13102335
分子名称: 1-ethyl-3-{6-(pyrimidin-5-yl)-5-[(3R)-tetrahydrofuran-3-ylmethoxy][1,3]thiazolo[5,4-b]pyridin-2-yl}urea, DNA topoisomerase IV, B subunit, ...
著者Ogg, D, Tucker, J.
登録日2013-08-19
公開日2013-10-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Thiazolopyridine Ureas as Novel Antitubercular Agents Acting through Inhibition of DNA Gyrase B.
J.Med.Chem., 56, 2013
4MBC
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BU of 4mbc by Molmil
Structure of Streptococcus pneumonia ParE in complex with AZ13053807
分子名称: 1-{5-[2-(morpholin-4-yl)ethoxy]-6-(pyridin-3-yl)[1,3]thiazolo[5,4-b]pyridin-2-yl}-3-prop-2-en-1-ylurea, DNA topoisomerase IV, B subunit
著者Ogg, D, Tucker, J.
登録日2013-08-19
公開日2013-10-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Thiazolopyridine Ureas as Novel Antitubercular Agents Acting through Inhibition of DNA Gyrase B.
J.Med.Chem., 56, 2013
3O0K
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BU of 3o0k by Molmil
Crystal structure of ALDO/KETO reductase from brucella melitensis
分子名称: 1,2-ETHANEDIOL, Aldo/keto reductase, GLYCEROL
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-07-19
公開日2010-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of ALDO/KETO reductase from brucella melitensis
TO BE PUBLISHED

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件を2024-08-14に公開中

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