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5JZE
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BU of 5jze by Molmil
Erve virus viral OTU domain protease in complex with mouse ISG15
分子名称: CITRATE ANION, RNA-dependent RNA polymerase, Ubiquitin-like protein ISG15, ...
著者Deaton, M.K, Dzimianski, J.V, Pegan, S.D.
登録日2016-05-16
公開日2016-10-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Biochemical and Structural Insights into the Preference of Nairoviral DeISGylases for Interferon-Stimulated Gene Product 15 Originating from Certain Species.
J.Virol., 90, 2016
5YU9
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BU of 5yu9 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib
分子名称: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, CHLORIDE ION, Epidermal growth factor receptor
著者Yan, X.E, Yun, C.H.
登録日2017-11-21
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Ibrutinib targets mutant-EGFR kinase with a distinct binding conformation.
Oncotarget, 7, 2016
5ZCH
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BU of 5zch by Molmil
Crystal structure of OsPP2C50 I267W:OsPYL/RCAR3 with (+)-ABA
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL3, MAGNESIUM ION, ...
著者Lee, S, Han, S.
登録日2018-02-17
公開日2019-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.474 Å)
主引用文献Comprehensive survey of the VxG Phi L motif of PP2Cs from Oryza sativa reveals the critical role of the fourth position in regulation of ABA responsiveness.
Plant Mol.Biol., 101, 2019
5YXB
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A ligand binding to FXR
分子名称: 2-methoxyethyl (2E)-3-phenylprop-2-en-1-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2
著者Yi, L, Yong, L.
登録日2017-12-04
公開日2019-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献A ligand binding to FXR
To Be Published
5K2O
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Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase in complex with a pyrimidinyl-benzoate herbicide, pyrithiobac
分子名称: (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoic acid, Acetolactate synthase, ...
著者Garcia, M.D, Lonhienne, T, Guddat, L.W.
登録日2016-05-19
公開日2017-02-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.873 Å)
主引用文献Comprehensive understanding of acetohydroxyacid synthase inhibition by different herbicide families.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3R5M
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BU of 3r5m by Molmil
Crystal structure of RXRalphaLBD complexed with the agonist magnolol
分子名称: 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Zhang, H, Chen, L, Chen, J, Hu, L, Jiang, H, Shen, X.
登録日2011-03-18
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Molecular determinants of magnolol targeting both RXR(alpha) and PPAR(gamma).
Plos One, 6, 2011
3R8V
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CDK2 in complex with inhibitor RC-1-135
分子名称: Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-24
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
5ZCG
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Crystal structure of OsPP2C50 S265L/I267V:OsPYL/RCAR3 with (+)-ABA
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABA receptor RCAR3, MAGNESIUM ION, ...
著者Lee, S, Han, S.
登録日2018-02-17
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Comprehensive survey of the VxG Phi L motif of PP2Cs from Oryza sativa reveals the critical role of the fourth position in regulation of ABA responsiveness.
Plant Mol.Biol., 101, 2019
6KJZ
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BU of 6kjz by Molmil
Crystal structure of PDE4D catalytic domain complexed with compound 1
分子名称: 5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one, MAGNESIUM ION, ZINC ION, ...
著者Huang, Y.-Y, He, X, Luo, H.-B.
登録日2019-07-23
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.200001 Å)
主引用文献Discovery and Optimization of alpha-Mangostin Derivatives as Novel PDE4 Inhibitors for the Treatment of Vascular Dementia.
J.Med.Chem., 63, 2020
6KLI
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BU of 6kli by Molmil
Crystal Structure of the Zea Mays laccase 3 complexed with sinapyl
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol, ...
著者Xie, T, Liu, Z.C, Wang, G.G.
登録日2019-07-30
公開日2020-01-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for monolignol oxidation by a maize laccase.
Nat.Plants, 6, 2020
3T0G
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BU of 3t0g by Molmil
IspH:HMBPP (substrate) structure of the T167C mutant
分子名称: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER
著者Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M.
登録日2011-07-20
公開日2011-11-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis.
J.Mol.Biol., 416, 2012
3T0F
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BU of 3t0f by Molmil
IspH:HMBPP (substrate) structure of the E126D mutant
分子名称: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER
著者Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M.
登録日2011-07-20
公開日2011-11-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis.
J.Mol.Biol., 416, 2012
3T4L
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BU of 3t4l by Molmil
Arabidopsis histidine kinase 4 sensor domain in complex with trans-zeatin
分子名称: (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, Histidine kinase 4, MALONATE ION
著者Hothorn, M.
登録日2011-07-26
公開日2011-10-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structural basis for cytokinin recognition by Arabidopsis thaliana histidine kinase 4.
Nat.Chem.Biol., 7, 2011
3T4J
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BU of 3t4j by Molmil
Arabidopsis histidine kinase 4 sensor domain in complex with N-isopentenyl adenine
分子名称: Histidine kinase 4, MALONATE ION, N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE
著者Hothorn, M.
登録日2011-07-26
公開日2011-10-05
最終更新日2011-12-14
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis for cytokinin recognition by Arabidopsis thaliana histidine kinase 4.
Nat.Chem.Biol., 7, 2011
3T7R
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BU of 3t7r by Molmil
Crystal structure of apo BVU_3255, a methyltransferase from Bacteroides vulgatus ATCC 8482
分子名称: 3-[(2Z)-3-methylpent-2-en-1-yl]benzene-1,2-diol, Putative methyltransferase
著者Kumar, V, Sivaraman, J.
登録日2011-07-31
公開日2011-10-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural characterization of BVU_3255, a methyltransferase from human intestine antibiotic resistant pathogen Bacteroides vulgatus
J.Struct.Biol., 2011
3STW
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BU of 3stw by Molmil
Crystal Structure of tomato Methylketone Synthase I complexed with 2-tridecanone
分子名称: Methylketone synthase 1, tridec-12-en-2-one
著者Auldridge, M.E, Austin, M.B, Noel, J.P.
登録日2011-07-11
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Emergent Decarboxylase Activity and Attenuation of alpha/beta-Hydrolase Activity during the Evolution of Methylketone Biosynthesis in Tomato.
Plant Cell, 24, 2012
3SZL
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BU of 3szl by Molmil
IspH:Ligand Mutants - wt 70sec
分子名称: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER
著者Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M.
登録日2011-07-19
公開日2011-11-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis.
J.Mol.Biol., 416, 2012
3SZO
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BU of 3szo by Molmil
IspH:HMBPP complex after 3 minutes X-ray pre-exposure
分子名称: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER
著者Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M.
登録日2011-07-19
公開日2011-11-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis.
J.Mol.Biol., 416, 2012
5ZGG
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BU of 5zgg by Molmil
NMR structure of p75NTR transmembrane domain in complex with NSC49652
分子名称: (2E)-1-(2-hydroxyphenyl)-3-(pyridin-3-yl)prop-2-en-1-one, Tumor necrosis factor receptor superfamily member 16
著者Lin, Z, Ibanez, C.
登録日2018-03-08
公開日2019-03-13
最終更新日2019-09-25
実験手法SOLUTION NMR
主引用文献A Small Molecule Targeting the Transmembrane Domain of Death Receptor p75NTRInduces Melanoma Cell Death and Reduces Tumor Growth.
Cell Chem Biol, 25, 2018
3TZV
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BU of 3tzv by Molmil
Crystal structure of an iNKT TCR in complex with CD1d-lysophosphatidylcholine
分子名称: (4R,7R,18E)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide, Antigen-presenting glycoprotein CD1d, Beta-2-microglobulin, ...
著者Lopez-Sagaseta, J, Adams, E.J.
登録日2011-09-27
公開日2012-04-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.056 Å)
主引用文献Lysophospholipid presentation by CD1d and recognition by a human Natural Killer T-cell receptor.
Embo J., 31, 2012
3TKY
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BU of 3tky by Molmil
Monolignol o-methyltransferase (momt)
分子名称: (Iso)eugenol O-methyltransferase, 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol, S-ADENOSYL-L-HOMOCYSTEINE
著者Bhuiya, M.W, Liu, C.J.
登録日2011-08-29
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献An engineered monolignol 4-o-methyltransferase depresses lignin biosynthesis and confers novel metabolic capability in Arabidopsis.
Plant Cell, 24, 2012
3U0P
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BU of 3u0p by Molmil
Crystal structure of human CD1d-lysophosphatidylcholine
分子名称: (4R,7R,18E)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide, Antigen-presenting glycoprotein CD1d, Beta-2-microglobulin, ...
著者Lopez-Sagaseta, J, Sibener, L.V, Adams, E.J.
登録日2011-09-28
公開日2012-04-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Lysophospholipid presentation by CD1d and recognition by a human Natural Killer T-cell receptor.
Embo J., 31, 2012
5ZCL
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BU of 5zcl by Molmil
Crystal structure of OsPP2C50 I267L:OsPYL/RCAR3 with (+)-ABA
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABA receptor RCAR3, MAGNESIUM ION, ...
著者Lee, S, Han, S.
登録日2018-02-19
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.661 Å)
主引用文献Comprehensive survey of the VxG Phi L motif of PP2Cs from Oryza sativa reveals the critical role of the fourth position in regulation of ABA responsiveness.
Plant Mol.Biol., 101, 2019
3R5O
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BU of 3r5o by Molmil
Crystal structure of the complex of bovine lactoperoxidase with 4-allyl-2-methoxyphenol at 2.6 A resolution
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Pandey, N, Singh, A.K, Singh, R.P, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2011-03-19
公開日2011-08-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the complex of bovine lactoperoxidase with 4-allyl-2-methoxyphenol at 2.6 A resolution
To be Published
3R6T
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Rat catechol o-methyltransferase in complex with the bisubstrate inhibitor 4'-fluoro-4,5-dihydroxy-biphenyl-3-carboxylic acid {(E)-3-[(2S,4R,5R)-4-hydroxy-5-(6-methyl-purin-9-yl)-tetrahydro-furan-2-yl]-allyl}-amide
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4'-fluoro-4,5-dihydroxy-N-{(2E)-3-[(2S,4R,5R)-4-hydroxy-5-(6-methyl-9H-purin-9-yl)tetrahydrofuran-2-yl]prop-2-en-1-yl}biphenyl-3-carboxamide, CHLORIDE ION, ...
著者Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G.
登録日2011-03-22
公開日2012-02-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors.
Acta Crystallogr.,Sect.D, 68, 2012

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