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6QAU
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Crystal structure of ULK2 in complexed with MRT67307
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2018-12-19
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2).
Biochem.J., 476, 2019
6HI1
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BU of 6hi1 by Molmil
PI3 Kinase Delta in complex with 3[6(morpholin4yl)pyridin2yl]phenol
分子名称: 3-(6-morpholin-4-ylpyridin-2-yl)phenol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Convery, M.A, Summers, D, Peace, S.
登録日2018-08-29
公開日2019-09-11
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献A theoretical and experimental investigation into the conformational bias of aryl cyclopropylpyrans, novel bioisosteres for N-aryl morpholines.
To be published
8U5G
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BU of 8u5g by Molmil
Crystal structure of the co-expressed SDS22:PP1:I3 complex
分子名称: E3 ubiquitin-protein ligase PPP1R11, FE (III) ION, PHOSPHATE ION, ...
著者Choy, M.S, Peti, W, Page, R.
登録日2023-09-12
公開日2023-12-06
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The SDS22:PP1:I3 complex: SDS22 binding to PP1 loosens the active site metal to prime metal exchange.
J.Biol.Chem., 300, 2023
6HX9
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Putrescine transaminase from Pseudomonas putida
分子名称: Aspartate aminotransferase family protein
著者Gahloth, D.
登録日2018-10-16
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Characterization of a Putrescine Transaminase FromPseudomonas putidaand its Application to the Synthesis of Benzylamine Derivatives.
Front Bioeng Biotechnol, 6, 2018
6HXH
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BU of 6hxh by Molmil
Structure of the human ATP citrate lyase holoenzyme in complex with citrate, coenzyme A and Mg.ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase,Human ATP citrate lyase, CITRATE ANION, ...
著者Verstraete, K, Verschueren, K.
登録日2018-10-17
公開日2019-04-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.
Nature, 568, 2019
7A8X
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Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikC with the HMA domain of Pikh-1 from rice (Oryza sativa)
分子名称: AVR-Pik protein, NBS-LRR class disease resistance protein
著者Maidment, J.H.R, Xiao, G, Franceschetti, M, Banfield, M.J.
登録日2020-08-31
公開日2021-02-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The allelic rice immune receptor Pikh confers extended resistance to strains of the blast fungus through a single polymorphism in the effector binding interface.
Plos Pathog., 17, 2021
7ZJT
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BU of 7zjt by Molmil
Crystal structure of HsaD from Mycobacterium tuberculosis at 1.96 A resolution
分子名称: 1,2-ETHANEDIOL, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, CHLORIDE ION
著者Barelier, S, Roig-Zamboni, V, Cavalier, J.F, Sulzenbacher, G.
登録日2022-04-11
公開日2022-09-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis.
Febs J., 290, 2023
6HZF
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BU of 6hzf by Molmil
BP0997, GH138 enzyme targeting pectin rhamnogalacturonan II
分子名称: BPa0997, SERINE, SODIUM ION
著者Basle, A, Cartmell, A, Labourel, A, Gilbert, H.
登録日2018-10-23
公開日2019-03-20
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and functional analyses of glycoside hydrolase 138 enzymes targeting chain A galacturonic acid in the complex pectin rhamnogalacturonan II.
J.Biol.Chem., 294, 2019
6GE8
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BU of 6ge8 by Molmil
Crystal structure of Mycobacterium tuberculosis BioA
分子名称: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, MAGNESIUM ION, [(2~{S})-3-(1~{H}-indol-3-yl)-1-[(2~{E})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene]hydrazinyl]-1-oxidanylidene-propan-2-yl]azanium
著者Ekstrom, A, Campopiano, D.J, Marles-Wright, J.
登録日2018-04-25
公開日2019-05-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.869 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis BioA
To Be Published
6BV6
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BU of 6bv6 by Molmil
Structure of proteinaceous RNase P 1 (PRORP1) from A. thaliana after 3-hour soak with juglone
分子名称: 5-hydroxynaphthalene-1,4-dione, Proteinaceous RNase P 1, chloroplastic/mitochondrial, ...
著者Karasik, A, Wu, N, Fierke, C.A, Koutmos, M.
登録日2017-12-12
公開日2019-06-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibition of protein-only RNase P with Gambogic acid and Juglone
To Be Published
7TCS
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BU of 7tcs by Molmil
M379A mutant tyrosine phenol-lyase complexed with L-methionine
分子名称: (4Z)-4-({[(1E)-1-carboxy-3-(methylsulfanyl)propylidene]azaniumyl}methylidene)-2-methyl-5-[(phosphonooxy)methyl]-1,4-dihydropyridin-3-olate, CESIUM ION, DIMETHYL SULFOXIDE, ...
著者Phillips, R.S.
登録日2021-12-28
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献M379A Mutant Tyrosine Phenol-lyase from Citrobacter freundii Has Altered Conformational Dynamics.
Chembiochem, 23, 2022
7ZS6
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BU of 7zs6 by Molmil
Crystal structure of Apis mellifera RidA
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Reactive intermediate deaminase A, ...
著者Visentin, C, Rizzi, G, Ricagno, S.
登録日2022-05-06
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Apis mellifera RidA, a novel member of the canonical YigF/YER057c/UK114 imine deiminase superfamily of enzymes pre-empting metabolic damage.
Biochem.Biophys.Res.Commun., 616, 2022
6Y0L
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BU of 6y0l by Molmil
Crystal structure of human CD23 lectin domain N225D, K229E, S252N, T251N, R253G, S254G mutant
分子名称: GLYCEROL, Low affinity immunoglobulin epsilon Fc receptor membrane-bound form, SULFATE ION
著者Ilkow, V.F, Davies, A.M, Sutton, B.J, McDonnell, J.M.
登録日2020-02-09
公開日2021-06-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Reviving lost binding sites: Exploring calcium-binding site transitions between human and murine CD23.
Febs Open Bio, 11, 2021
6BVC
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BU of 6bvc by Molmil
Crystal structure of AAC(3)-Ia in complex with coenzyme A
分子名称: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Aminoglycoside-(3)-N-acetyltransferase, CHLORIDE ION, ...
著者Stogios, P.J, Evdokimova, E, Wawrzak, Z, Savchenko, A, Joachimiak, A, Satchell, K, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-12-12
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.808 Å)
主引用文献To be published
To Be Published
7ZM2
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BU of 7zm2 by Molmil
Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclophostin-like inhibitor CyC8b
分子名称: 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, SULFATE ION, methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid
著者Barelier, S, Roig-Zamboni, V, Cavalier, J.F, Sulzenbacher, G.
登録日2022-04-19
公開日2022-09-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis.
Febs J., 290, 2023
6Y1I
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BU of 6y1i by Molmil
Human Eg5 motor domain mutant R234C
分子名称: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, MAGNESIUM ION
著者Garcia-Saez, I, Skoufias, D.A.
登録日2020-02-12
公開日2021-06-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Human Eg5 motor domain mutant R234C
To Be Published
7ZOF
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BU of 7zof by Molmil
Streptavidin Iron-Porphyrin
分子名称: (2R)-2-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3-[[(5Z,10Z,14Z,19Z)-15-[[[(2R)-2-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3-sulfo-propanoyl]amino]methyl]-1,4,21,23-tetrahydroporphyrin-5-yl]methylamino]-3-oxidanylidene-propane-1-sulfonic acid, FE (III) ION, IMIDAZOLE, ...
著者Igareta, N.V, Ward, T.R.
登録日2022-04-25
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Streptavidin Iron-Porphyrin
To Be Published
6Y0M
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BU of 6y0m by Molmil
Crystal structure of human CD23 lectin domain N225D, K229E, S252N, T251N mutant
分子名称: Low affinity immunoglobulin epsilon Fc receptor membrane-bound form
著者Ilkow, V.F, Davies, A.M, Sutton, B.J, McDonnell, J.M.
登録日2020-02-09
公開日2021-06-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Reviving lost binding sites: Exploring calcium-binding site transitions between human and murine CD23.
Febs Open Bio, 11, 2021
6QF2
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BU of 6qf2 by Molmil
X-Ray structure of Thermolysin crystallized on a silicon chip
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CALCIUM ION, ...
著者Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A.
登録日2019-01-09
公開日2019-07-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.733 Å)
主引用文献On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies.
Iucrj, 6, 2019
6HSO
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BU of 6hso by Molmil
Crystal structure of the ternary complex of GephE-ADP-Glycine receptor derived peptide
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,1'-benzene-1,4-diylbis(1H-pyrrole-2,5-dione), ACETATE ION, ...
著者Kasaragod, V.B, Schindelin, H.
登録日2018-10-01
公開日2019-01-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Elucidating the Molecular Basis for Inhibitory Neurotransmission Regulation by Artemisinins.
Neuron, 101, 2019
6FTA
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BU of 6fta by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-3098
分子名称: (4~{a}~{S},8~{a}~{S})-4-[4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl]-2-[1-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperidin-4-yl]-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-one, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Singh, A.K, Brown, D.G.
登録日2018-02-20
公開日2019-03-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献hPDE4D2 structure with inhibitor NPD-3098
To be published
6BWA
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BU of 6bwa by Molmil
Hendra virus W protein C-terminus in complex with Importin alpha 3 crystal form 2
分子名称: Importin subunit alpha-3, Protein W
著者Tsimbalyuk, S, Smith, K.M, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K.
登録日2017-12-14
公開日2018-07-04
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses.
Nat Commun, 9, 2018
7T7N
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BU of 7t7n by Molmil
Structure of SPCC1393.13 protein from fission yeast
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Damage-control phosphatase SPCC1393.13, PHOSPHATE ION
著者Jacewicz, A, Sanchez, A.M, Shuman, S.
登録日2021-12-15
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate.
J.Biol.Chem., 298, 2022
7ACI
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BU of 7aci by Molmil
In meso structure of apolipoprotein N-acyltransferase, Lnt, from Escherichia coli in 9.8 monoacylglycerol
分子名称: Apolipoprotein N-acyltransferase, GLYCEROL, [(2~{S})-2,3-bis(oxidanyl)propyl] heptadec-9-enoate
著者Smithers, L, van Dalsen, L, Boland, C, Caffrey, M.
登録日2020-09-10
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献9.8 MAG. A new host lipid for in meso (lipid cubic phase) crystallization of integral membrane proteins
Cryst.Growth Des., 2020
6QFB
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BU of 6qfb by Molmil
Structure of the human ATP citrate lyase holoenzyme in complex with citrate, coenzyme A and Mg.ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase, CITRATE ANION, ...
著者Verstraete, K, Verschueren, K.
登録日2019-01-09
公開日2019-04-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.
Nature, 568, 2019

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