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5QJ3
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BU of 5qj3 by Molmil
CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-24 AKA 7-({4-CHLORO-3'-FLUORO-[1,1'- BIPHENYL]-3-YL}METHOXY)-3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN- 5-AMINE
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, 7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ...
著者Khan, J.A.
登録日2018-09-26
公開日2019-02-06
最終更新日2021-05-12
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Potent Triazolopyridine Myeloperoxidase Inhibitors.
ACS Med Chem Lett, 9, 2018
5IVY
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BU of 5ivy by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N16 [3-(2-(4-chlorophenyl)acetamido)isonicotinic acid]
分子名称: 3-{[(4-chlorophenyl)acetyl]amino}pyridine-4-carboxylic acid, Lysine-specific demethylase 5A, MANGANESE (II) ION
著者Horton, J.R, Cheng, X.
登録日2016-03-21
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IW0
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BU of 5iw0 by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N19 [2-(5-((4-chloro-2-methylbenzyl)oxy)-1H-pyrazol-1-yl)isonicotinic acid]
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 2-{5-[(4-chloro-2-methylphenyl)methoxy]-1H-pyrazol-1-yl}pyridine-4-carboxylic acid, ...
著者Horton, J.R, Cheng, X.
登録日2016-03-21
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
6R9G
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BU of 6r9g by Molmil
Structural basis of transcription inhibition by the DNA mimic Ocr protein of bacteriophage T7
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Ye, F.Z, Zhang, X.D.
登録日2019-04-03
公開日2020-02-26
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural basis of transcription inhibition by the DNA mimic protein Ocr of bacteriophage T7.
Elife, 9, 2020
5ISL
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BU of 5isl by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor C49 (2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid)
分子名称: 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2016-03-15
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.694 Å)
主引用文献Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IVE
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BU of 5ive by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N8 ( 5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile)
分子名称: 5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Lysine-specific demethylase 5A, MANGANESE (II) ION
著者Horton, J.R, Cheng, X.
登録日2016-03-20
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.783 Å)
主引用文献Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
1CC0
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BU of 1cc0 by Molmil
CRYSTAL STRUCTURE OF THE RHOA.GDP-RHOGDI COMPLEX
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, rho GDP dissociation inhibitor alpha, ...
著者Longenecker, K.L, Read, P, Derewenda, U, Dauter, Z, Garrard, S, Walker, L, Somlyo, A.V, Somlyo, A.P, Nakamoto, R.K, Derewenda, Z.S.
登録日1999-03-03
公開日2000-01-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (5 Å)
主引用文献How RhoGDI binds Rho.
Acta Crystallogr.,Sect.D, 55, 1999
6IMA
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BU of 6ima by Molmil
Crystal Structure of ALKBH1 without alpha-1 (N37-C369)
分子名称: CITRIC ACID, Nucleic acid dioxygenase ALKBH1
著者Zhang, M, Yang, S, Zhao, W, Li, H.
登録日2018-10-22
公開日2020-01-22
最終更新日2020-04-08
実験手法X-RAY DIFFRACTION (2.593 Å)
主引用文献Mammalian ALKBH1 serves as an N6-mA demethylase of unpairing DNA.
Cell Res., 30, 2020
6IP0
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BU of 6ip0 by Molmil
Crystal structure of Arabidopsis thaliana JMJ13 catalytic domain in complex with AKG
分子名称: 2-OXOGLUTARIC ACID, NICKEL (II) ION, SULFATE ION, ...
著者Hu, H, Du, J.
登録日2018-11-01
公開日2019-04-10
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Arabidopsis H3K27me3 demethylase JUMONJI 13 is a temperature and photoperiod dependent flowering repressor.
Nat Commun, 10, 2019
8HTD
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BU of 8htd by Molmil
Crystal structure of an effector from Chromobacterium violaceum in complex with ubiquitin
分子名称: NAD(+)--protein-threonine ADP-ribosyltransferase, Ubiquitin
著者Tan, J, Wang, X, Zhou, Y, Zhu, Y.
登録日2022-12-21
公開日2023-11-22
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.848 Å)
主引用文献Molecular basis of threonine ADP-ribosylation of ubiquitin by bacterial ARTs.
Nat.Chem.Biol., 20, 2024
8HTC
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BU of 8htc by Molmil
Crystal structure of a SeMet-labeled effector from Chromobacterium violaceum in complex with Ubiquitin
分子名称: NAD(+)--protein-threonine ADP-ribosyltransferase, Ubiquitin-40S ribosomal protein S27a (Fragment)
著者Tan, J, Wang, X, Zhou, Y, Zhu, Y.
登録日2022-12-21
公開日2023-11-22
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular basis of threonine ADP-ribosylation of ubiquitin by bacterial ARTs.
Nat.Chem.Biol., 20, 2024
8HTE
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BU of 8hte by Molmil
Crystal structure of an effector mutant in complex with ubiquitin
分子名称: GLYCEROL, NAD(+)--protein-threonine ADP-ribosyltransferase, NICOTINAMIDE, ...
著者Tan, J, Wang, X, Zhou, Y, Zhu, Y.
登録日2022-12-21
公開日2023-11-22
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.307 Å)
主引用文献Molecular basis of threonine ADP-ribosylation of ubiquitin by bacterial ARTs.
Nat.Chem.Biol., 20, 2024
8HTF
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BU of 8htf by Molmil
Crystal structure of an effector in complex with ubiquitin
分子名称: NAD(+)--protein-threonine ADP-ribosyltransferase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Ubiquitin-40S ribosomal protein S27a (Fragment)
著者Tan, J, Wang, X, Zhou, Y, Zhu, Y.
登録日2022-12-21
公開日2023-11-22
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献Molecular basis of threonine ADP-ribosylation of ubiquitin by bacterial ARTs.
Nat.Chem.Biol., 20, 2024
5J87
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BU of 5j87 by Molmil
Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a Highly Selective Irreversible BTK Kinase Inhibitor
分子名称: N-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide, Tyrosine-protein kinase BTK
著者Yun, C.H, Zhang, S.
登録日2016-04-07
公開日2017-04-19
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a highly selective irreversible Bruton's tyrosine kinase (BTK) inhibitor.
Eur J Med Chem, 131, 2017
1MKU
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BU of 1mku by Molmil
CARBOXYLIC ESTER HYDROLASE, ORTHORHOMBIC FORM OF THE TRIPLE MUTANT
分子名称: CALCIUM ION, PHOSPHOLIPASE A2
著者Sundaralingam, M.
登録日1997-09-10
公開日1997-12-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Phospholipase A2 engineering. Structural and functional roles of the highly conserved active site residue aspartate-99.
Biochemistry, 36, 1997
6IJ7
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BU of 6ij7 by Molmil
Crystal Structure of Arabidopsis thaliana UGT89C1
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Rhamnosyltransferase protein
著者Zong, G, Wang, X.
登録日2018-10-09
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Crystal structures of rhamnosyltransferase UGT89C1 from Arabidopsis thaliana reveal the molecular basis of sugar donor specificity for UDP-beta-l-rhamnose and rhamnosylation mechanism.
Plant J., 99, 2019
5H19
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BU of 5h19 by Molmil
EED in complex with PRC2 allosteric inhibitor EED162
分子名称: 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-08
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
6IJD
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BU of 6ijd by Molmil
Crystal Structure of Arabidopsis thaliana UGT89C1 complexed with quercetin
分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, UDP-glycosyltransferase 89C1
著者Zong, G, Wang, X.
登録日2018-10-09
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.206 Å)
主引用文献Crystal structures of rhamnosyltransferase UGT89C1 from Arabidopsis thaliana reveal the molecular basis of sugar donor specificity for UDP-beta-l-rhamnose and rhamnosylation mechanism.
Plant J., 99, 2019
1MKS
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BU of 1mks by Molmil
CARBOXYLIC ESTER HYDROLASE, TRIGONAL FORM OF THE TRIPLE MUTANT
分子名称: CALCIUM ION, PHOSPHOLIPASE A2
著者Sundaralingam, M.
登録日1997-08-27
公開日1997-12-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Phospholipase A2 engineering. Structural and functional roles of the highly conserved active site residue aspartate-99.
Biochemistry, 36, 1997
2XTJ
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BU of 2xtj by Molmil
The crystal structure of PCSK9 in complex with 1D05 Fab
分子名称: CALCIUM ION, FAB FROM A HUMAN MONOCLONAL ANTIBODY, 1D05, ...
著者Di Marco, S, Volpari, C, Carfi, A.
登録日2010-10-10
公開日2010-11-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A Pcsk9-Binding Antibody that Structurally Mimics the Egf(A) Domain of Ldl-Receptor Reduces Ldl Cholesterol in Vivo.
J.Lipid Res., 52, 2011
3L82
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BU of 3l82 by Molmil
X-ray Crystal structure of TRF1 and Fbx4 complex
分子名称: F-box only protein 4, Telomeric repeat-binding factor 1
著者Zeng, Z.X, Wang, W, Yang, Y.T, Chen, Y, Yang, X.M, Diehl, J.A, Liu, X.D, Lei, M.
登録日2009-12-29
公開日2010-03-09
最終更新日2013-09-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis of Selective Ubiquitination of TRF1 by SCF(Fbx4)
Dev.Cell, 18, 2010
8XKN
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BU of 8xkn by Molmil
Cryo-EM structure of tail tube protein
分子名称: a protein
著者Zhang, H, Li, Z, Li, X.Z.
登録日2023-12-23
公開日2024-05-01
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献Insights into the modulation of bacterial NADase activity by phage proteins.
Nat Commun, 15, 2024
8YJY
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BU of 8yjy by Molmil
Cryo-EM Structure of CdnG-E2 complex from Serratia marcescens
分子名称: SmCdnG, Type VI secretion protein
著者Xiao, J, Wang, L.
登録日2024-03-03
公開日2024-05-01
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Phage defence system CBASS is regulated by a prokaryotic E2 enzyme that imitates the ubiquitin pathway.
Nat Microbiol, 9, 2024
5XSG
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BU of 5xsg by Molmil
Ultrahigh resolution structure of FUS (37-42) SYSGYS determined by MicroED
分子名称: RNA-binding protein FUS
著者Luo, F, Gui, X, Zhou, H, Li, D, Li, X, Liu, C.
登録日2017-06-14
公開日2018-04-04
最終更新日2024-03-27
実験手法ELECTRON CRYSTALLOGRAPHY (0.73 Å)
主引用文献Atomic structures of FUS LC domain segments reveal bases for reversible amyloid fibril formation.
Nat. Struct. Mol. Biol., 25, 2018
5XRR
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BU of 5xrr by Molmil
Crystal structure of FUS (54-59) SYSSYG
分子名称: RNA-binding protein FUS, ZINC ION
著者Zhao, M, Gui, X, Li, D, Liu, C.
登録日2017-06-09
公開日2018-04-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.503 Å)
主引用文献Atomic structures of FUS LC domain segments reveal bases for reversible amyloid fibril formation.
Nat. Struct. Mol. Biol., 25, 2018

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