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6R1N
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BU of 6r1n by Molmil
Crystal structure of S. aureus seryl-tRNA synthetase complexed to seryl sulfamoyl adenosine
分子名称: 1,2-ETHANEDIOL, 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, DI(HYDROXYETHYL)ETHER, ...
著者Salimraj, R, Cain, R, Roper, D.I.
登録日2019-03-14
公開日2020-01-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structure-Guided Enhancement of Selectivity of Chemical Probe Inhibitors Targeting Bacterial Seryl-tRNA Synthetase.
J.Med.Chem., 62, 2019
6R1O
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BU of 6r1o by Molmil
Crystal structure of E. coli seryl-tRNA synthetase complexed to a seryl sulfamoyl adenosine derivative
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Salimraj, R, Cain, R, Roper, D.I.
登録日2019-03-14
公開日2020-01-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Guided Enhancement of Selectivity of Chemical Probe Inhibitors Targeting Bacterial Seryl-tRNA Synthetase.
J.Med.Chem., 62, 2019
6R1M
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BU of 6r1m by Molmil
Crystal structure of E. coli seryl-tRNA synthetase complexed to seryl sulfamoyl adenosine
分子名称: 1,2-ETHANEDIOL, 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, PHOSPHATE ION, ...
著者Salimraj, R, Cain, R, Roper, D.I.
登録日2019-03-14
公開日2020-01-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Guided Enhancement of Selectivity of Chemical Probe Inhibitors Targeting Bacterial Seryl-tRNA Synthetase.
J.Med.Chem., 62, 2019
4NE3
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BU of 4ne3 by Molmil
Human MHF1-MHF2 complex
分子名称: Centromere protein S, Centromere protein X
著者Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y.
登録日2013-10-28
公開日2013-12-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8007 Å)
主引用文献The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
4NE6
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BU of 4ne6 by Molmil
Human MHF1-MHF2 complex
分子名称: Centromere protein S, Centromere protein X
著者Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y.
登録日2013-10-28
公開日2013-12-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1001 Å)
主引用文献The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
6SXR
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BU of 6sxr by Molmil
E221Q mutant of GH54 a-l-arabinofuranosidase soaked with 4-nitrophenyl a-l-arabinofuranoside
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者McGregor, N.G.S, Davies, G.J, Nin-Hill, A, Rovira, C.
登録日2019-09-26
公開日2020-02-26
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020
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2024-09-04
実験手法X-RAY DIFFRACTION (1.978 Å)
主引用文献Discovery of BI-9787, a potent zwitterionic ketohexokinase inhibitor with oral bioavailability.
Bioorg.Med.Chem.Lett., 112, 2024
4NDY
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BU of 4ndy by Molmil
Human MHF1-MHF2 DNA complex
分子名称: Centromere protein S, Centromere protein X, DNA (26-MER)
著者Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y.
登録日2013-10-28
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (6.999 Å)
主引用文献The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
7RXP
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BU of 7rxp by Molmil
Fab1512 in complex with the C-terminal alpha-TSR domain of P. falciparum
分子名称: Circumsporozoite protein, Fab1512 heavy chain, Fab1512 light chain
著者Pholcharee, T, Oyen, D, Wilson, I.A.
登録日2021-08-23
公開日2022-03-16
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.761 Å)
主引用文献A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
7RXI
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BU of 7rxi by Molmil
Fab234 in complex with the C-terminal alpha-TSR domain of P. falciparum
分子名称: Circumsporozoite protein, Fab234 heavy chain, Fab234 light chain
著者Pholcharee, T, Oyen, D, Wilson, I.A.
登録日2021-08-23
公開日2022-03-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
4NE1
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BU of 4ne1 by Molmil
Human MHF1 MHF2 DNA complexes
分子名称: Centromere protein S, Centromere protein X, DNA (26-MER)
著者Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y.
登録日2013-10-28
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (6.499 Å)
主引用文献The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
7RXJ
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BU of 7rxj by Molmil
Fab236 in complex with the C-terminal alpha-TSR domain of P. falciparum
分子名称: Circumsporozoite protein, Fab236 heavy chain, Fab236 light chain
著者Pholcharee, T, Oyen, D, Wilson, I.A.
登録日2021-08-23
公開日2022-03-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.345 Å)
主引用文献A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
7S0X
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BU of 7s0x by Molmil
Fab352 in complex with the C-terminal alphaTSR domain of P. falciparum
分子名称: Circumsporozoite protein, Fab352 heavy chain, Fab352 light chain
著者Pholcharee, T, Oyen, D, Wilson, I.A.
登録日2021-08-31
公開日2022-03-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
6SXS
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BU of 6sxs by Molmil
GH54 a-l-arabinofuranosidase soaked with cyclic sulfate inhibitor
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者McGregor, N.G.S, Davies, G.J, Nin-Hill, A, Rovira, C.
登録日2019-09-26
公開日2020-02-26
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.859 Å)
主引用文献Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020
6SXV
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BU of 6sxv by Molmil
GH51 a-l-arabinofuranosidase soaked with aziridine inhibitor
分子名称: 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, GH51 a-l-arabinofuranosidase, ...
著者McGregor, N.G.S, Davies, G.J.
登録日2019-09-26
公開日2020-02-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.402 Å)
主引用文献Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020
6SXT
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BU of 6sxt by Molmil
GH54 a-l-arabinofuranosidase soaked with aziridine inhibitor
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者McGregor, N.G.S, Davies, G.J, Nin-Hill, A, Rovira, C.
登録日2019-09-26
公開日2020-02-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.466 Å)
主引用文献Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020
6T6K
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BU of 6t6k by Molmil
Y201W mutant of the orange carotenoid protein from Synechocystis at pH 6.5
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCINE, ...
著者Sluchanko, N.N, Gushchin, I, Botnarevskiy, V.S, Slonimskiy, Y.B, Remeeva, A, Kovalev, K, Stepanov, A.V, Gordeliy, V, Maksimov, E.G.
登録日2019-10-18
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Role of hydrogen bond alternation and charge transfer states in photoactivation of the Orange Carotenoid Protein.
Commun Biol, 4, 2021
3BG8
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BU of 3bg8 by Molmil
Crystal structure of Factor XIa in complex with Clavatadine A
分子名称: BENZAMIDINE, Coagulation factor XIa light chain, N-(4-carbamimidamidobutyl)ethanamide, ...
著者Xue, Y, Oster, L.
登録日2007-11-26
公開日2008-12-09
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Clavatadine A, a natural product with selective recognition and irreversible inhibition of factor XIa.
J.Med.Chem., 51, 2008
6T6M
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BU of 6t6m by Molmil
Y201W mutant of the orange carotenoid protein from Synechocystis at pH 5.5
分子名称: GLYCEROL, HISTIDINE, Orange carotenoid-binding protein, ...
著者Sluchanko, N.N, Gushchin, I, Botnarevskiy, V.S, Slonimskiy, Y.B, Remeeva, A, Kovalev, K, Stepanov, A.V, Gordeliy, V, Maksimov, E.G.
登録日2019-10-18
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Role of hydrogen bond alternation and charge transfer states in photoactivation of the Orange Carotenoid Protein.
Commun Biol, 4, 2021
6HQZ
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BU of 6hqz by Molmil
Crystal structure of the type III effector protein AvrRpt2 from Erwinia amylovora, a C70 family cysteine protease
分子名称: AvrRpt2
著者Bartho, J.D, Demitri, N, Wuerges, J, Benini, S.
登録日2018-09-25
公開日2019-04-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structure of Erwinia amylovora AvrRpt2 provides insight into protein maturation and induced resistance to fire blight by Malus × robusta 5.
J.Struct.Biol., 206, 2019
1BYI
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BU of 1byi by Molmil
STRUCTURE OF APO-DETHIOBIOTIN SYNTHASE AT 0.97 ANGSTROMS RESOLUTION
分子名称: DETHIOBIOTIN SYNTHASE
著者Sandalova, T, Schneider, G, Kaeck, H, Lindqvist, Y.
登録日1998-10-15
公開日1999-06-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Structure of dethiobiotin synthetase at 0.97 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
8COO
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BU of 8coo by Molmil
Solution structure of Zipcode binding protein 1 (ZBP1) KH3(DD)KH4 domains in complex with N6-Methyladenosine containing RNA
分子名称: Insulin-like growth factor 2 mRNA-binding protein 1, RNA_(5'-R(*(UP*CP*GP*GP*(6MZ)P*CP*U)-3')
著者Nicastro, G, Abis, G, Taylor, I.A, Ramos, A.
登録日2023-02-28
公開日2024-02-07
実験手法SOLUTION NMR
主引用文献Direct m6A recognition by IMP1 underlays an alternative model of target selection for non-canonical methyl-readers.
Nucleic Acids Res., 51, 2023
4Q07
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BU of 4q07 by Molmil
Crystal structure of chimeric carbonic anhydrase IX with inhibitor
分子名称: 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2014-04-01
公開日2015-01-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014
4Q06
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BU of 4q06 by Molmil
Crystal structure of chimeric carbonic anhydrase IX with inhibitor
分子名称: 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2014-04-01
公開日2015-01-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014
1DAI
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BU of 1dai by Molmil
DETHIOBIOTIN SYNTHETASE COMPLEXED WITH 7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID
分子名称: 7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID, DETHIOBIOTIN SYNTHETASE
著者Huang, W, Jia, J, Schneider, G, Lindqvist, Y.
登録日1995-05-08
公開日1996-06-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Mechanism of an ATP-dependent carboxylase, dethiobiotin synthetase, based on crystallographic studies of complexes with substrates and a reaction intermediate.
Biochemistry, 34, 1995

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