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7ZN9
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BU of 7zn9 by Molmil
Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the M state at pH 7.0 in the presence of sodium at 100K
分子名称: EICOSANE, OLEIC ACID, PHOSPHATE ION, ...
著者Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V.
登録日2022-04-20
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
5FLT
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BU of 5flt by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
分子名称: 3-phenoxybenzoic acid, GLYCEROL, HUMAN CARBONIC ANHYDRASE 2, ...
著者Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
登録日2015-10-28
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
7PVW
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BU of 7pvw by Molmil
Crystal structure of the intertwined dimer of the c-Src SH3 domain E93V-S94A-R95S-T96G-N112G-N113Y-T114N-E115H mutant
分子名称: ACETATE ION, Isoform 1 of Proto-oncogene tyrosine-protein kinase Src, TETRAETHYLENE GLYCOL
著者Camara-Artigas, A, Salinas Garcia, M.C.
登録日2021-10-05
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The effect of the hinge loops composition in the domain swapping of the SH3 domain
To be published
6YIE
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BU of 6yie by Molmil
Structure of a Borealin-INCENP-Survivin complex
分子名称: Baculoviral IAP repeat-containing protein 5, Borealin, Inner centromere protein, ...
著者Serena, M, Elliott, P.R, Barr, F.A.
登録日2020-04-01
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献Molecular basis of MKLP2-dependent Aurora B transport from chromatin to the anaphase central spindle.
J.Cell Biol., 219, 2020
6FK3
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BU of 6fk3 by Molmil
Structure and function of aldehyde dehydrogenase from Thermus thermophilus: An enzyme with an evolutionarily-distinct C-terminal arm (Recombinant full-length protein in complex with propanal)
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Aldehyde dehydrogenase, DI(HYDROXYETHYL)ETHER, ...
著者Hayes, K.A, Noor, M.R, Djeghader, A, Soulimane, T.
登録日2018-01-23
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The quaternary structure of Thermus thermophilus aldehyde dehydrogenase is stabilized by an evolutionary distinct C-terminal arm extension.
Sci Rep, 8, 2018
7ZPZ
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BU of 7zpz by Molmil
Crystal structure of Pizza6-TSR-TSH with Silicotungstic Acid (STA) polyoxometalate
分子名称: Keggin (STA), Pizza6-TSR-TSH
著者Wouters, S.M.L, Kamata, K, Takahashi, K, Vandebroek, L, Parac-Vogt, T.N, Tame, J.R.H, Voet, A.R.D.
登録日2022-04-29
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Mutational study of a symmetry matched protein-polyoxometalate interface
To be published
7L2C
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BU of 7l2c by Molmil
Crystallographic structure of neutralizing antibody 2-51 in complex with SARS-CoV-2 spike N-terminal domain (NTD)
分子名称: 2-51 heavy chain, 2-51 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cerutti, G, Reddem, E.R, Shapiro, L.
登録日2020-12-16
公開日2021-02-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies directed against spike N-terminal domain target a single supersite.
Cell Host Microbe, 29, 2021
6JIS
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BU of 6jis by Molmil
Crystal structure of the histidine racemase CntK in cobalt and nickel transporter system of staphylococcus aureus
分子名称: 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ...
著者Luo, S, Ju, Y, Zhou, H.
登録日2019-02-23
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal structure of CntK, the cofactor-independent histidine racemase in staphylopine-mediated metal acquisition of Staphylococcus aureus.
Int.J.Biol.Macromol., 135, 2019
7PW0
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BU of 7pw0 by Molmil
Crystal structure of the c-Src SH3 domain N112G-N113Y-T114N-E115H mutant
分子名称: Isoform 1 of Proto-oncogene tyrosine-protein kinase Src
著者Camara-Artigas, A, Salinas Garcia, M.C.
登録日2021-10-05
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The effect of the hinge loops composition in the domain swapping of the SH3 domain
To be published
7ZNB
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BU of 7znb by Molmil
Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the M state at pH 5.2 in the presence of sodium at 100K
分子名称: EICOSANE, OLEIC ACID, PHOSPHATE ION, ...
著者Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V.
登録日2022-04-20
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
8QIY
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BU of 8qiy by Molmil
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor
分子名称: 1-(2-aminophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
登録日2023-09-12
公開日2024-07-24
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (1.5149 Å)
主引用文献A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling.
Angew.Chem.Int.Ed.Engl., 2024
6JJ6
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BU of 6jj6 by Molmil
BRD4 in complex with 500
分子名称: 1-methyl-6-(3-(4-methylpiperazine-1-carbonyl)benzyl)-1,2a1,5a,6-tetrahydro-2H-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-2-one, Bromodomain-containing protein 4
著者Xu, J, Chen, Y, Jiang, F, Zhu, J.
登録日2019-02-25
公開日2020-02-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献BRD4 in complex with ZZM1
To Be Published
6FL1
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BU of 6fl1 by Molmil
Crystal structure of the complex between the Lactococcus lactis FPG mutant T221P and a Fapy-dG containing DNA
分子名称: DNA (5'-D(*CP*TP*CP*TP*TP*TP(FOX)P*TP*TP*TP*CP*TP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*AP*GP*AP*AP*AP*CP*AP*AP*AP*GP*A)-3'), Formamidopyrimidine-DNA glycosylase, ...
著者Coste, F, Castaing, B, Ober, M, Carell, T.
登録日2018-01-25
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of the complex between the Lactococcus lactis FPG mutant T221P and a Fapy-dG containing DNA
To Be Published
7ZTI
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BU of 7zti by Molmil
F61V Cytochrome c prime beta from Methylococcus capsulatus (Bath): CO Complex
分子名称: CARBON MONOXIDE, Cytochrome c, GLYCEROL, ...
著者Adams, H.R, Hough, M.A.
登録日2022-05-10
公開日2023-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献A heme pocket aromatic quadrupole modulates gas binding to cytochrome c'-beta : Implications for NO sensors.
J.Biol.Chem., 299, 2023
7L3L
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BU of 7l3l by Molmil
Structure of TRAF5 and TRAF6 RING Hetero dimer
分子名称: TNF receptor-associated factor 5, TNF receptor-associated factor 6, ZINC ION
著者Das, A, Middleton, A.J, Padala, P, Day, C.L.
登録日2020-12-17
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The structure and ubiquitin binding properties of TRAF RING heterodimers.
J.Mol.Biol., 2021
6BCT
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BU of 6bct by Molmil
I-LtrI E184D bound to non-cognate C4 substrate (pre-cleavage complex)
分子名称: CALCIUM ION, DNA (26-MER), DNA (27-MER), ...
著者Brown, C, Zhang, K, McMurrough, T.A, Gloor, G.B, Edgell, D.R, Junop, M.
登録日2017-10-20
公開日2018-10-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Active site residue identity regulates cleavage preference of LAGLIDADG homing endonucleases.
Nucleic Acids Res., 46, 2018
5UA5
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BU of 5ua5 by Molmil
Crystal structure of A179L:Bid BH3 complex
分子名称: 5-HL, Uncharacterized protein
著者Banjara, S, Caria, S, Kvansakul, M.
登録日2016-12-19
公開日2017-01-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Insight into African Swine Fever Virus A179L-Mediated Inhibition of Apoptosis.
J. Virol., 91, 2017
5FYR
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BU of 5fyr by Molmil
Calcium-dependent phosphoinositol-specific phospholipase C from a Gram-negative bacterium, Pseudomonas sp, apo form, myoinositol complex
分子名称: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, CALCIUM ION, PHOSPHATE ION, ...
著者Moroz, O.V, Blagova, E, Lebedev, A.A, Norgaard, A, Segura, D.R, Blicher, T.H, Wilson, K.S.
登録日2016-03-09
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The structure of a calcium-dependent phosphoinositide-specific phospholipase C from Pseudomonas sp. 62186, the first from a Gram-negative bacterium.
Acta Crystallogr D Struct Biol, 73, 2017
6YIR
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BU of 6yir by Molmil
Crystal structure of Bacillus subtilis MsmX ATPase
分子名称: Oligosaccharides import ATP-binding protein MsmX, SULFATE ION, TRIETHYLENE GLYCOL
著者Leisico, F, Santos-Silva, T, Romao, M.J.
登録日2020-04-01
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Multitask ATPases (NBDs) of bacterial ABC importers type I and their interspecies exchangeability.
Sci Rep, 10, 2020
6PMZ
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BU of 6pmz by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(5-(Aminomethyl)pyridin-3-yl)-4-methylquinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[5-(aminomethyl)pyridin-3-yl]-4-methylquinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2019-07-02
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
7ZNA
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BU of 7zna by Molmil
Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the ground state at pH 5.2 in the presence of sodium at 100K
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, OLEIC ACID, ...
著者Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V.
登録日2022-04-20
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Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
5G11
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BU of 5g11 by Molmil
Pseudomonas aeruginosa HDAH bound to PFSAHA.
分子名称: 2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)-~{N}-oxidanyl-~{N}'-phenyl-octanediamide, HDAH, POTASSIUM ION, ...
著者Kraemer, A, Meyer-Almes, F.J, Yildiz, O.
登録日2016-03-23
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Crystal Structure of a Histone Deacetylase Homologue from Pseudomonas aeruginosa.
Biochemistry, 55, 2016
7KV6
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BU of 7kv6 by Molmil
Surface glycan-binding protein B from Bacteroides fluxus in complex with mixed-linkage glucotriose
分子名称: GUANIDINE, PKD domain protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
著者Tamura, K, Brumer, H, Van Petegem, F.
登録日2020-11-26
公開日2021-02-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Distinct protein architectures mediate species-specific beta-glucan binding and metabolism in the human gut microbiota.
J.Biol.Chem., 296, 2021
6IZ4
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BU of 6iz4 by Molmil
Crystal Structure Analysis of TRIC counter-ion channels in calcium release
分子名称: Trimeric intracellular cation channel type B-B
著者Wang, X.H, Zeng, Y, Gao, F, Su, M, Hendrickson, W.A, Chen, Y.H.
登録日2018-12-18
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.098 Å)
主引用文献Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
6FL8
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BU of 6fl8 by Molmil
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with purpurogallin and ADP
分子名称: 1,2-ETHANEDIOL, 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Whitfield, H.L, Brearley, C.A, Hemmings, A.M.
登録日2018-01-25
公開日2018-09-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018

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件を2024-08-28に公開中

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