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1OQ5
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BU of 1oq5 by Molmil
CARBONIC ANHYDRASE II IN COMPLEX WITH NANOMOLAR INHIBITOR
分子名称: 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, Carbonic anhydrase II, ZINC ION
著者Weber, A, Casini, A, Heine, A, Kuhn, D, Supuran, C.T, Scozzafava, A, Klebe, G.
登録日2003-03-07
公開日2004-03-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition.
J.Med.Chem., 47, 2004
5K1X
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BU of 5k1x by Molmil
Catalytic domain of polyspecific pyrrolysyl-tRNA synthetase mutant Y306A/N346A/C348A/Y384F in complex with AMPPNP
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Weber, A.
登録日2016-05-18
公開日2016-10-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Genetically encoded fluorophenylalanines enable insights into the recognition of lysine trimethylation by an epigenetic reader.
Chem.Commun.(Camb.), 52, 2016
5K1P
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BU of 5k1p by Molmil
Catalytic domain of polyspecific pyrrolysyl-tRNA synthetase mutant N346A/C348A in complex with AMPPNP
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Pyrrolysine--tRNA ligase
著者Weber, A.
登録日2016-05-18
公開日2016-10-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Genetically encoded fluorophenylalanines enable insights into the recognition of lysine trimethylation by an epigenetic reader.
Chem.Commun.(Camb.), 52, 2016
4CS4
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BU of 4cs4 by Molmil
Catalytic domain of Pyrrolysyl-tRNA synthetase mutant Y306A, Y384F in complex with AMPPNP
分子名称: 1,2-ETHANEDIOL, 2-{[dihydroxy(4-aminoethylphenyl)-{4}-sulfanyl]amino}-3-hydroxypropanoic acid, MAGNESIUM ION, ...
著者Schmidt, M.J, Weber, A, Pott, M, Welte, W, Summerer, D.
登録日2014-03-04
公開日2014-04-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.349 Å)
主引用文献Structural Basis of Furan-Amino Acid Recognition by a Polyspecific Aminoacyl-tRNA-Synthetase and its Genetic Encoding in Human Cells.
Chembiochem, 15, 2014
4CS2
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BU of 4cs2 by Molmil
Catalytic domain of Pyrrolysyl-tRNA synthetase mutant Y306A, Y384F in its apo form
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PYRROLYSINE--TRNA LIGASE
著者Schmidt, M.J, Weber, A, Pott, M, Welte, W, Summerer, D.
登録日2014-03-04
公開日2014-04-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis of Furan-Amino Acid Recognition by a Polyspecific Aminoacyl-tRNA-Synthetase and its Genetic Encoding in Human Cells.
Chembiochem, 15, 2014
4CS3
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BU of 4cs3 by Molmil
Catalytic domain of Pyrrolysyl-tRNA synthetase mutant Y306A, Y384F in complex with an adenylated furan-bearing noncanonical amino acid and pyrophosphate
分子名称: 1,2-ETHANEDIOL, 2-(furan-2-yl)ethyl hydrogen carbonate, ADENOSINE MONOPHOSPHATE, ...
著者Schmidt, M.J, Weber, A, Pott, M, Welte, W, Summerer, D.
登録日2014-03-04
公開日2014-04-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Structural Basis of Furan-Amino Acid Recognition by a Polyspecific Aminoacyl-tRNA-Synthetase and its Genetic Encoding in Human Cells.
Chembiochem, 15, 2014
5OE7
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BU of 5oe7 by Molmil
Structure of OTULIN bound to the Met1-linked diubiquitin activity probe
分子名称: Polyubiquitin-C, Ubiquitin thioesterase otulin
著者Elliott, P.R, Komander, D.
登録日2017-07-07
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献A Linear Diubiquitin-Based Probe for Efficient and Selective Detection of the Deubiquitinating Enzyme OTULIN.
Cell Chem Biol, 24, 2017
8OME
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BU of 8ome by Molmil
Crystal structure of hKHK-A in complex with compound-4
分子名称: Ketohexokinase, compound
著者Ebenhoch, R, Pautsch, A.
登録日2023-03-31
公開日2023-09-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design.
Acta Crystallogr D Struct Biol, 79, 2023
8OMD
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BU of 8omd by Molmil
Crystal structure of mKHK in complex with compound-4
分子名称: Ketohexokinase, compound
著者Ebenhoch, R, Pautsch, A.
登録日2023-03-31
公開日2023-09-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design.
Acta Crystallogr D Struct Biol, 79, 2023
8OMF
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BU of 8omf by Molmil
Crystal structure of hKHK-C in complex with compound-4
分子名称: Ketohexokinase, SULFATE ION, compound
著者Ebenhoch, R, Pautsch, A.
登録日2023-03-31
公開日2023-09-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design.
Acta Crystallogr D Struct Biol, 79, 2023
8OMK
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BU of 8omk by Molmil
hKHK-C in complex with ADP & fructose 1-phosphate
分子名称: 1-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, Ketohexokinase, ...
著者Ebenhoch, R, Pautsch, A.
登録日2023-03-31
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Discovery of BI-9787, a Potent Zwitterionic KHK-Inhibitor with Oral Bioavailability
To Be Published
8OMJ
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BU of 8omj by Molmil
hKHK-C in complex with compound 28
分子名称: Ketohexokinase, SULFATE ION, [3-[[6-[(3~{a}~{R},6~{a}~{S})-2,3,3~{a},4,6,6~{a}-hexahydro-1~{H}-pyrrolo[3,4-c]pyrrol-5-yl]-3-cyano-4-(trifluoromethyl)pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]methoxy-methyl-phosphinic acid
著者Pautsch, A, Ebenhoch, R.
登録日2023-03-31
公開日2024-07-10
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (1.978 Å)
主引用文献Discovery of BI-9787, a Potent Zwitterionic KHK-Inhibitor with Oral Bioavailability
To Be Published
8OMG
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BU of 8omg by Molmil
Crystal structure of mKHK (apo)
分子名称: Ketohexokinase
著者Ebenhoch, E, Pautsch, P.
登録日2023-03-31
公開日2023-09-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design.
Acta Crystallogr D Struct Biol, 79, 2023
3DEN
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BU of 3den by Molmil
Structure of E. coli DHDPS mutant Y107W
分子名称: Dihydrodipicolinate synthase, GLYCEROL, PHOSPHATE ION, ...
著者Pearce, F.G, Gerrard, J.A, Perugini, M.A, Jameson, G.B.
登録日2008-06-10
公開日2008-11-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mutating the tight-dimer interface of dihydrodipicolinate synthase disrupts the enzyme quaternary structure: toward a monomeric enzyme
Biochemistry, 47, 2008

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件を2024-08-14に公開中

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