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6KND
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BU of 6knd by Molmil
The C-terminal Domain of Translation Initiation Factor 5 at low pH
分子名称: Translation initiation factor eIF5
著者Jian, Y, YuXin, Y, Min, Y.
登録日2019-08-05
公開日2020-06-17
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The pH-dependent conformational change of eukaryotic translation initiation factor 5: Insights into partner-binding manner.
Biochem.Biophys.Res.Commun., 519, 2019
6L5Z
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BU of 6l5z by Molmil
Crystal strucutre of AF9 YEATS domain in complex with a cyclopeptide inhibitor
分子名称: Protein AF-9, SC0-ALO-ALA-SC3-SC4-NH2
著者Li, Y, Chen, G, Li, H.
登録日2019-10-25
公開日2020-10-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Selective Targeting of AF9 YEATS Domain by Cyclopeptide Inhibitors with Preorganized Conformation.
J.Am.Chem.Soc., 142, 2020
7XL5
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BU of 7xl5 by Molmil
Crystal structure of the H42T/A85G/I86A mutant of a nadp-dependent alcohol dehydrogenase
分子名称: NADP-dependent isopropanol dehydrogenase
著者Jiang, Y.Y, Qu, G, Li, X, Sun, Z.T, Han, X, Liu, W.D.
登録日2022-04-21
公開日2023-05-31
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.604 Å)
主引用文献Engineering the hydrogen transfer pathway of an alcohol dehydrogenase to increase activity by rational enzyme design
Mol Catal, 530, 2022
5ZQ8
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BU of 5zq8 by Molmil
Crystal structure of spRlmCD with U747 stemloop RNA
分子名称: NICKEL (II) ION, RNA (5'-R(*CP*CP*GP*UP*(MUM)P*GP*AP*AP*AP*AP*GP*G)-3'), S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Jiang, Y.Y, Yu, H.L.
登録日2018-04-17
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Unveiling the structural features that determine the dual methyltransferase activities of Streptococcus pneumoniae RlmCD
PLoS Pathog., 14, 2018
5ZTH
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BU of 5zth by Molmil
Crystal structure of spRlmCD with U1939loop RNA at 3.24 angstrom
分子名称: RNA (5'-R(P*AP*AP*AP*(MUM)P*UP*CP*CP*U)-3'), S-ADENOSYL-L-HOMOCYSTEINE, Uncharacterized RNA methyltransferase SP_1029
著者Jiang, Y.Y, Yu, H.L.
登録日2018-05-03
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Unveiling the structural features that determine the dual methyltransferase activities of Streptococcus pneumoniae RlmCD
PLoS Pathog., 14, 2018
5XIW
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BU of 5xiw by Molmil
Crystal structure of T2R-TTL-Colchicine complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Wang, Y, Yang, J, Wang, T, Chen, L.
登録日2017-04-27
公開日2018-04-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 2018
5XP3
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BU of 5xp3 by Molmil
Crystal structure of apo T2R-TTL
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Wang, Y, Yang, J, Wang, T, Chen, L.
登録日2017-05-31
公開日2017-10-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 2018
5YL2
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BU of 5yl2 by Molmil
Crystal structure of T2R-TTL-Y28 complex
分子名称: (E)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-en-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Yang, J.H, Yang, T, Wen, J.L, Chen, L.J.
登録日2017-10-16
公開日2018-04-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 2018
5ZQ1
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BU of 5zq1 by Molmil
Crystal structure of spRlmCD with U1939loop RNA at 3.10 angstrom
分子名称: RNA (5'-R(*AP*AP*AP*(MUM)P*UP*CP*CP*U)-3'), S-ADENOSYL-L-HOMOCYSTEINE, Uncharacterized RNA methyltransferase SP_1029
著者Yu, H.L, Jiang, Y.Y.
登録日2018-04-17
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Unveiling the structural features that determine the dual methyltransferase activities of Streptococcus pneumoniae RlmCD
PLoS Pathog., 14, 2018
5ZQ0
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BU of 5zq0 by Molmil
Crystal structure of spRlmCD with U747loop RNA
分子名称: RNA (5'-R(*GP*UP*(MUM)P*GP*AP*AP*AP*A)-3'), S-ADENOSYL-L-HOMOCYSTEINE, Uncharacterized RNA methyltransferase SP_1029
著者Jiang, Y.Y, Yu, H.L.
登録日2018-04-17
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Unveiling the structural features that determine the dual methyltransferase activities of Streptococcus pneumoniae RlmCD
PLoS Pathog., 14, 2018
4KTC
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BU of 4ktc by Molmil
NS3/NS4A protease with inhibitor
分子名称: (2R,6S,13aR,14aR,16aS)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydroisoquinoline-2(1H)-carboxylate, NS4A peptide, Serine protease NS3, ...
著者Zhang, H, Ballard, J, Vigers, G.P.A, Brandhuber, B.J.
登録日2013-05-20
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Danoprevir (ITMN-191/R7227), a Highly Selective and Potent Inhibitor of Hepatitis C Virus (HCV) NS3/4A Protease.
J.Med.Chem., 57, 2014
6AH7
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BU of 6ah7 by Molmil
D45W/H226G mutant of marine bacterial prolidase
分子名称: MANGANESE (II) ION, SODIUM ION, SULFATE ION, ...
著者Jian, Y, Yunzhu, X, Lijuan, L.
登録日2018-08-17
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Repurposing a bacterial prolidase for organophosphorus hydrolysis: Reshaped catalytic cavity switches substrate selectivity.
Biotechnol.Bioeng., 117, 2020
6AH8
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BU of 6ah8 by Molmil
Marine bacterial prolidase with promiscuous organophosphorus hydrolase activity
分子名称: MANGANESE (II) ION, SULFATE ION, Xaa-Pro dipeptidase
著者Jian, Y.
登録日2018-08-17
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Repurposing a bacterial prolidase for organophosphorus hydrolysis: Reshaped catalytic cavity switches substrate selectivity.
Biotechnol.Bioeng., 117, 2020
4OUM
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BU of 4oum by Molmil
Crystal structure of human Caprin-2 C1q domain
分子名称: CITRATE ANION, Caprin-2, ISOPROPYL ALCOHOL, ...
著者Song, X, Li, L.
登録日2014-02-18
公開日2014-10-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.491 Å)
主引用文献Structural insights into the C1q domain of Caprin-2 in canonical Wnt signaling
J.Biol.Chem., 289, 2014
6DKD
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BU of 6dkd by Molmil
Yeast Ddi2 Cyanamide Hydratase
分子名称: DNA damage-inducible protein, SULFATE ION, ZINC ION
著者Moore, S.A, Xiao, W, Li, J.
登録日2018-05-29
公開日2019-05-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of Ddi2, a highly inducible detoxifying metalloenzyme fromSaccharomyces cerevisiae.
J.Biol.Chem., 294, 2019
6DKC
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BU of 6dkc by Molmil
Yeast Ddi2 Cyanamide Hydratase, T157V mutant, apo structure
分子名称: DNA damage-inducible protein, SULFATE ION, ZINC ION
著者Moore, S.A, Xiao, W, Li, J.
登録日2018-05-29
公開日2019-05-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of Ddi2, a highly inducible detoxifying metalloenzyme fromSaccharomyces cerevisiae.
J.Biol.Chem., 294, 2019
2TIO
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BU of 2tio by Molmil
LOW PACKING DENSITY FORM OF BOVINE BETA-TRYPSIN IN CYCLOHEXANE
分子名称: BENZAMIDINE, CALCIUM ION, HEXANE, ...
著者Huang, Q, Zhu, G, Tang, Q.
登録日1998-09-23
公開日1998-09-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献X-ray studies on two forms of bovine beta-trypsin crystals in neat cyclohexane.
Biochim.Biophys.Acta, 1429, 1998
3V5Q
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BU of 3v5q by Molmil
Discovery of a selective TRK Inhibitor with efficacy in rodent cancer tumor models
分子名称: 1-(3-{[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-6-yl]amino}phenyl)-3-[3-(trifluoromethyl)phenyl]urea, CHLORIDE ION, NT-3 growth factor receptor
著者Kreusch, A.
登録日2011-12-16
公開日2012-02-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2001 Å)
主引用文献Discovery of GNF-5837, a Selective TRK Inhibitor with Efficacy in Rodent Cancer Tumor Models.
ACS Med Chem Lett, 3, 2012
3HPM
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BU of 3hpm by Molmil
Oxidized dimeric PICK1 PDZ C46G mutant in complex with the carboxyl tail peptide of GluR2
分子名称: PRKCA-binding protein,9-mer peptide of THE GLUR2 SUBUNIT
著者Yu, J, Shi, Y, Zhang, M.
登録日2009-06-04
公開日2010-06-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Redox-Regulated Lipid Membrane Binding of the PICK1 PDZ Domain.
Biochemistry, 49, 2010
3HPK
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BU of 3hpk by Molmil
Oxidized dimeric PICK1 PDZ in complex with the carboxyl tail peptide of GluR2
分子名称: GLYCEROL, PRKCA-binding protein,9-mer peptide of THE GLUR2 SUBUNIT
著者Yu, J, Shi, Y, Zhang, M.
登録日2009-06-04
公開日2010-06-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Redox-Regulated Lipid Membrane Binding of the PICK1 PDZ Domain.
Biochemistry, 49, 2010
6DKA
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BU of 6dka by Molmil
Yeast Ddi2 Cyanamide Hydratase
分子名称: CYANAMIDE, DNA damage-inducible protein, SULFATE ION, ...
著者Moore, S.A, Xiao, W, Li, J.
登録日2018-05-29
公開日2019-05-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.901 Å)
主引用文献Structure of Ddi2, a highly inducible detoxifying metalloenzyme fromSaccharomyces cerevisiae.
J.Biol.Chem., 294, 2019
6DK9
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BU of 6dk9 by Molmil
Yeast Ddi2 Cyanamide Hydratase
分子名称: DNA damage-inducible protein, SULFATE ION, ZINC ION
著者Moore, S.A, Xiao, W, Li, J.
登録日2018-05-29
公開日2019-05-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of Ddi2, a highly inducible detoxifying metalloenzyme fromSaccharomyces cerevisiae.
J.Biol.Chem., 294, 2019
7XUF
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BU of 7xuf by Molmil
Cryo-EM structure of the AKT1-AtKC1 complex from Arabidopsis thaliana
分子名称: POTASSIUM ION, Potassium channel AKT1, Potassium channel KAT3
著者Yang, G.H, Lu, Y.M, Jia, Y.T, Yang, F, Zhang, Y.M, Xu, X, Li, X.M, Lei, J.L.
登録日2022-05-18
公開日2022-11-09
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for the activity regulation of a potassium channel AKT1 from Arabidopsis.
Nat Commun, 13, 2022
6UIP
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DYRK1A Kinase Domain in Complex with a 6-azaindole Derivative, GNF2133.
分子名称: 4-ethyl-N-{4-[1-(oxan-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者DiDonato, M, Spraggon, G.
登録日2019-10-01
公開日2020-03-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133.
J.Med.Chem., 63, 2020
4YNE
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BU of 4yne by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
分子名称: 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine, GLYCEROL, High affinity nerve growth factor receptor, ...
著者Kreusch, A, Rucker, P, Molteni, V, Loren, J.
登録日2015-03-09
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.0229 Å)
主引用文献(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015

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