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7Y77
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BU of 7y77 by Molmil
Crystal structure of rice NAL1
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Protein NARROW LEAF 1
著者Yan, J.J, Guan, Z.Y, Yin, P, Xiong, L.Z.
登録日2022-06-21
公開日2023-07-12
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Serine protease NAL1 exerts pleiotropic functions through degradation of TOPLESS-related corepressor in rice.
Nat.Plants, 9, 2023
4ZH3
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BU of 4zh3 by Molmil
Crystal structure of Escherichia coli RNA polymerase in complex with CBRH16-Br
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Feng, Y, Ebright, R.H.
登録日2015-04-24
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (4.082 Å)
主引用文献Structural Basis of Transcription Inhibition by CBR Hydroxamidines and CBR Pyrazoles.
Structure, 23, 2015
4ZH4
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BU of 4zh4 by Molmil
Crystal structure of Escherichia coli RNA polymerase in complex with CBRP18
分子名称: 5-(4-fluorophenyl)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Feng, Y, Ebright, R.H.
登録日2015-04-24
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.993 Å)
主引用文献Structural Basis of Transcription Inhibition by CBR Hydroxamidines and CBR Pyrazoles.
Structure, 23, 2015
7RGW
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BU of 7rgw by Molmil
Crystal structure of HERC2 DOC domain
分子名称: DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase HERC2
著者Liu, J, Tencer, A.H, Kutateladze, T.G.
登録日2021-07-15
公開日2022-07-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The ZZ domain of HERC2 is a receptor of arginylated substrates.
Sci Rep, 12, 2022
4GUT
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BU of 4gut by Molmil
Crystal structure of LSD2-NPAC
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1B, ...
著者Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Fang, R, Shi, Y, Xu, Y.
登録日2012-08-29
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation
Mol.Cell, 49, 2013
8PFI
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BU of 8pfi by Molmil
Crystal structure of human TLR8 in complex with compound 34
分子名称: (3~{S})-~{N}-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]morpholine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ...
著者Faller, M, Zink, F.
登録日2023-06-16
公開日2023-08-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.785 Å)
主引用文献Discovery of the TLR7/8 Antagonist MHV370 for Treatment of Systemic Autoimmune Diseases.
Acs Med.Chem.Lett., 14, 2023
4GUS
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BU of 4gus by Molmil
Crystal structure of LSD2-NPAC with H3 in space group P3221
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Histone H3.3, ...
著者Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Fang, R, Shi, Y, Xu, Y.
登録日2012-08-29
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation
Mol.Cell, 49, 2013
4GUR
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Crystal structure of LSD2-NPAC with H3 in space group P21
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Histone H3.3, ...
著者Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Fang, R, Shi, Y, Xu, Y.
登録日2012-08-29
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.506 Å)
主引用文献LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation
Mol.Cell, 49, 2013
1YO6
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BU of 1yo6 by Molmil
Crystal Structure of the putative Carbonyl Reductase Sniffer of Caenorhabditis elegans
分子名称: Putative Carbonyl Reductase Sniffer
著者Southeast Collaboratory for Structural Genomics (SECSG)
登録日2005-01-26
公開日2005-02-15
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of the putative Carbonyl Reductase Sniffer of Caenorhabditis elegans
To be Published
1YQ1
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BU of 1yq1 by Molmil
Structural Genomics Of Caenorhabditis Elegans: glutathione S-Transferase
分子名称: glutathione S-Transferase
著者Southeast Collaboratory for Structural Genomics (SECSG)
登録日2005-01-31
公開日2005-02-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Genomics of Caenorhabditis Elegans: glutathione S-Transferase
To be Published
8QTG
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BU of 8qtg by Molmil
Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 9)
分子名称: 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)-1~{H}-pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-10-12
公開日2024-01-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.419 Å)
主引用文献Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
8QTH
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BU of 8qth by Molmil
Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 8)
分子名称: 1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7H-pyrrolo[2,3-b]pyridin-6-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-10-12
公開日2024-01-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
8QTJ
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BU of 8qtj by Molmil
Crystal structure of Cbl-b in complex with an allosteric inhibitor (compound 30)
分子名称: 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1~{R})-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-10-12
公開日2024-01-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.523 Å)
主引用文献Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
8QTK
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BU of 8qtk by Molmil
Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 31)
分子名称: 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-10-12
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.873 Å)
主引用文献Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
4GU1
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BU of 4gu1 by Molmil
Crystal structure of LSD2
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1B, ...
著者Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Fang, R, Shi, Y, Xu, Y.
登録日2012-08-29
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.939 Å)
主引用文献LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation
Mol.Cell, 49, 2013
7MFL
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BU of 7mfl by Molmil
Structure of the Clostridium perfringens GH89 in complex with beta-HNJNAc
分子名称: 1,2-ETHANEDIOL, Alpha-N-acetylglucosaminidase family protein, CALCIUM ION, ...
著者Boraston, A.B.
登録日2021-04-09
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Iminosugar C-Glycosides Work as Pharmacological Chaperones of NAGLU, a Glycosidase Involved in MPS IIIB Rare Disease*.
Chemistry, 27, 2021
7MFK
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BU of 7mfk by Molmil
Structure of the Clostridium perfringens GH89 in complex with alpha-HNJNAc
分子名称: 1,2-ETHANEDIOL, Alpha-N-acetylglucosaminidase family protein, CALCIUM ION, ...
著者Boraston, A.B.
登録日2021-04-09
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Iminosugar C-Glycosides Work as Pharmacological Chaperones of NAGLU, a Glycosidase Involved in MPS IIIB Rare Disease*.
Chemistry, 27, 2021
3NB6
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BU of 3nb6 by Molmil
Crystal structure of Aquifex aeolicus peptidoglycan glycosyltransferase in complex with Methylphosphoryl Neryl Moenomycin
分子名称: Penicillin-binding protein 1A
著者Sliz, P, Yuan, Y, Walker, S, Kahne, D.
登録日2010-06-02
公開日2011-05-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Functional and structural analysis of a key region of the cell wall inhibitor moenomycin.
Acs Chem.Biol., 5, 2010
4KQE
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BU of 4kqe by Molmil
The mutant structure of the human glycyl-tRNA synthetase E71G
分子名称: GLYCEROL, Glycine--tRNA ligase
著者Qin, X, Hao, Z, Tian, Q, Zhang, Z, Zhou, C, Xie, W.
登録日2013-05-15
公開日2014-05-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.739 Å)
主引用文献Large Conformational Changes of Insertion 3 in Human Glycyl-tRNA Synthetase (hGlyRS) during Catalysis
J.Biol.Chem., 291, 2016
3OY7
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BU of 3oy7 by Molmil
Crystal structure of a virus encoded glycosyltransferase in complex with GDP-mannose
分子名称: GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, Glycosyltransferase B736L
著者Xiang, Y, Rossmann, M.G.
登録日2010-09-23
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Crystal structure of a virus-encoded putative glycosyltransferase.
J.Virol., 84, 2010
2GP4
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BU of 2gp4 by Molmil
Structure of [FeS]cluster-free Apo Form of 6-Phosphogluconate Dehydratase from Shewanella oneidensis
分子名称: 6-phosphogluconate dehydratase
著者Schormann, N, Symersky, J, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2006-04-16
公開日2006-05-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structure of [FeS]cluster-free Apo Form of 6-Phosphogluconate Dehydratase from Shewanella oneidensis
To be Published
3OY2
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Crystal structure of a putative glycosyltransferase from Paramecium bursaria Chlorella virus NY2A
分子名称: Glycosyltransferase B736L
著者Xiang, Y, Rossmann, M.G.
登録日2010-09-22
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Crystal structure of a virus-encoded putative glycosyltransferase
J.Virol., 84, 2010
2L0K
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BU of 2l0k by Molmil
NMR solution structure of a transcription factor SpoIIID in complex with DNA
分子名称: Stage III sporulation protein D
著者Chen, B, Himes, P, Lu, Z, Liu, A, Yan, H, Kroos, L.
登録日2010-07-08
公開日2011-08-17
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Novel Mode of DNA Binding by Bacterial Transcription Factor SpoIIID
To be Published
7SEL
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BU of 7sel by Molmil
E. coli MsbA in complex with LPS and inhibitor G7090 (compound 3)
分子名称: (2E)-3-{7-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic acid, (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ATP-dependent lipid A-core flippase
著者Payandeh, J, Koth, C.M, Verma, V.A.
登録日2021-09-30
公開日2022-03-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.978 Å)
主引用文献Discovery of Inhibitors of the Lipopolysaccharide Transporter MsbA: From a Screening Hit to Potent Wild-Type Gram-Negative Activity.
J.Med.Chem., 65, 2022
5X5O
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BU of 5x5o by Molmil
Crystal structure of ZAK in complex with compound D2829
分子名称: Mitogen-activated protein kinase kinase kinase MLT, N-[2,4-bis(fluoranyl)-3-[2-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]-3-bromanyl-benzenesulfonamide
著者Dai, Y.B, Zhao, P, Yun, C.H.
登録日2017-02-17
公開日2017-12-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.868 Å)
主引用文献Structure Based Design of N-(3-((1H-Pyrazolo[3,4-b]pyridin-5-yl)ethynyl)benzenesulfonamides as Selective Leucine-Zipper and Sterile-alpha Motif Kinase (ZAK) Inhibitors.
J. Med. Chem., 60, 2017

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件を2024-09-04に公開中

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