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7V6K
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BU of 7v6k by Molmil
Crystal structure of Sortase A from Streptococcus pyogenes in complex with ML346
Descriptor: 5-[3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione, MAGNESIUM ION, Sortase
Authors:Yang, C.G, Gan, J.
Deposit date:2021-08-20
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Covalent sortase A inhibitor ML346 prevents Staphylococcus aureus infection of Galleria mellonella.
Rsc Med Chem, 13, 2022
4QBA
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BU of 4qba by Molmil
Crystal structure of the effector-binding domain of S. aureus CcpE
Descriptor: CHLORIDE ION, LysR family regulatory protein
Authors:Liu, X, Lan, L, Yang, C.G.
Deposit date:2014-05-06
Release date:2014-11-19
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Metabolic sensor governing bacterial virulence in Staphylococcus aureus.
Proc.Natl.Acad.Sci.USA, 111, 2014
4ZS3
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BU of 4zs3 by Molmil
Structural complex of 5-aminofluorescein bound to the FTO protein
Descriptor: 2-OXOGLUTARIC ACID, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, ...
Authors:Wang, T, Hong, T, Huang, Y, Yang, C.G, Zhou, X.
Deposit date:2015-05-13
Release date:2015-11-04
Last modified:2015-11-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Fluorescein Derivatives as Bifunctional Molecules for the Simultaneous Inhibiting and Labeling of FTO Protein
J.Am.Chem.Soc., 137, 2015
4ZS2
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BU of 4zs2 by Molmil
Structural complex of FTO/fluorescein
Descriptor: 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase FTO, ...
Authors:Wang, T, Hong, T, Huang, Y, Yang, C.G, Zhou, X.
Deposit date:2015-05-13
Release date:2015-11-04
Last modified:2015-11-18
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Fluorescein Derivatives as Bifunctional Molecules for the Simultaneous Inhibiting and Labeling of FTO Protein
J.Am.Chem.Soc., 137, 2015
3OLJ
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BU of 3olj by Molmil
Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2)
Descriptor: Ribonucleoside-diphosphate reductase subunit M2, SODIUM ION
Authors:Chen, X.H, Xu, Z.J, Chen, B.E, Jiang, H.J, Yang, C.G, Zhu, W.L, Shao, J.M.
Deposit date:2010-08-26
Release date:2011-08-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:hRRM2
To be Published
5HLG
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BU of 5hlg by Molmil
Structure of reduced AbfR bound to DNA
Descriptor: DNA (5'-D(*TP*AP*AP*CP*TP*CP*AP*AP*TP*CP*GP*CP*GP*CP*GP*CP*GP*AP*TP*TP*GP*AP*GP*T)-3'), MarR family transcriptional regulator
Authors:Liu, G, Liu, X, Gan, J, Yang, C.G.
Deposit date:2016-01-15
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Insights into the Redox-Sensing Mechanism of MarR-Type Regulator AbfR.
J. Am. Chem. Soc., 139, 2017
4MGT
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BU of 4mgt by Molmil
ALKBH2 R110A cross-linked to undamaged dsDNA
Descriptor: Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, DNA1, DNA2, ...
Authors:Chen, B, Gan, J, Yang, C.G.
Deposit date:2013-08-28
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The complex structures of ALKBH2 mutants cross-linked to dsDNA reveal the conformational swing of β-hairpin
Sci China Chem, 57, 2014
4MG2
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BU of 4mg2 by Molmil
ALKBH2 F102A cross-linked to undamaged dsDNA
Descriptor: Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, DNA-1, DNA-2, ...
Authors:Chen, B, Gan, J, Yang, C.G.
Deposit date:2013-08-28
Release date:2014-02-26
Last modified:2014-06-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The complex structures of ALKBH2 mutants cross-linked to dsDNA reveal the conformational swing of β-hairpin
Sci China Chem, 57, 2014
3BI3
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BU of 3bi3 by Molmil
X-ray structure of AlkB protein bound to dsDNA containing 1meA/A with cofactors
Descriptor: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase alkB, DNA (5'-D(*DAP*DAP*DCP*DGP*DGP*DTP*DAP*DTP*DTP*DAP*DCP*DCP*DT)-3'), ...
Authors:Yi, C, Yang, C.-G.
Deposit date:2007-11-29
Release date:2008-04-22
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of DNA/RNA repair enzymes AlkB and ABH2 bound to dsDNA.
Nature, 452, 2008
3BTY
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BU of 3bty by Molmil
Crystal structure of human ABH2 bound to dsDNA containing 1meA through cross-linking away from active site
Descriptor: Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, DNA (5'-D(*DCP*DTP*DGP*DTP*DAP*DTP*(MA7)P*DAP*DCP*DTP*DGP*DCP*DG)-3'), DNA (5'-D(*DTP*DCP*DGP*DCP*DAP*DGP*DTP*DTP*DAP*DTP*DAP*DCP*DA)-3'), ...
Authors:Yang, C.-G, Yi, C, He, C.
Deposit date:2007-12-31
Release date:2008-04-22
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structures of DNA/RNA repair enzymes AlkB and ABH2 bound to dsDNA.
Nature, 452, 2008
3BTZ
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BU of 3btz by Molmil
Crystal structure of human ABH2 cross-linked to dsDNA
Descriptor: Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, DNA (5'-D(*AP*GP*GP*TP*GP*AP*(2YR)P*AP*AP*TP*GP*CP*G)-3'), DNA (5'-D(*DTP*DCP*DGP*DCP*DAP*DTP*DTP*DAP*DTP*DCP*DAP*DCP*DC)-3')
Authors:Yang, C.-G, Yi, C, He, C.
Deposit date:2007-12-31
Release date:2008-04-22
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of DNA/RNA repair enzymes AlkB and ABH2 bound to dsDNA.
Nature, 452, 2008
3BUC
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BU of 3buc by Molmil
X-ray structure of human ABH2 bound to dsDNA with Mn(II) and 2KG
Descriptor: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, DNA (5'-D(*DCP*DTP*DGP*DTP*DAP*DTP*(MA7)P*DAP*DCP*DTP*DGP*DCP*DG)-3'), ...
Authors:Yang, C.-G, Yi, C, He, C.
Deposit date:2008-01-02
Release date:2008-04-22
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structures of DNA/RNA repair enzymes AlkB and ABH2 bound to dsDNA.
Nature, 452, 2008
3BTX
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BU of 3btx by Molmil
X-ray structure of human ABH2 bound to dsDNA through active site cross-linking
Descriptor: Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, DNA (5'-D(*CP*TP*GP*TP*AP*TP*(2YR)P*AP*TP*TP*GP*CP*G)-3'), DNA (5'-D(*DTP*DCP*DGP*DCP*DAP*DAP*DTP*DAP*DAP*DTP*DAP*DCP*DA)-3'), ...
Authors:Yang, C.-G, Yi, C, He, C.
Deposit date:2007-12-31
Release date:2008-04-22
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of DNA/RNA repair enzymes AlkB and ABH2 bound to dsDNA.
Nature, 452, 2008
3BU0
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BU of 3bu0 by Molmil
crystal structure of human ABH2 cross-linked to dsDNA with cofactors
Descriptor: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, DNA (5'-D(*CP*TP*GP*TP*AP*TP*(2YR)P*AP*TP*TP*GP*CP*G)-3'), ...
Authors:Yang, C.-G, Yi, C, He, C.
Deposit date:2007-12-31
Release date:2008-04-22
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of DNA/RNA repair enzymes AlkB and ABH2 bound to dsDNA.
Nature, 452, 2008
4QKN
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BU of 4qkn by Molmil
Crystal structure of FTO bound to a selective inhibitor
Descriptor: 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, ...
Authors:Yang, C.-G, Huang, Y, Gan, J.
Deposit date:2014-06-07
Release date:2014-12-03
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Meclofenamic acid selectively inhibits FTO demethylation of m6A over ALKBH5.
Nucleic Acids Res., 43, 2015
4RFR
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BU of 4rfr by Molmil
Complex structure of AlkB/rhein
Descriptor: 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, Alpha-ketoglutarate-dependent dioxygenase AlkB, MANGANESE (II) ION
Authors:Li, Q, Huang, Y, Li, J.F, Yang, C.-G.
Deposit date:2014-09-27
Release date:2016-04-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Rhein Inhibits AlkB Repair Enzymes and Sensitizes Cells to Methylated DNA Damage.
J.Biol.Chem., 291, 2016
8I7X
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BU of 8i7x by Molmil
Crystal structure of human ClpP in complex with ZG36
Descriptor: (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial
Authors:Wang, P.Y, Gan, J.H, Yang, C.-G.
Deposit date:2023-02-02
Release date:2023-07-19
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Assessment of the structure-activity relationship and antileukemic activity of diacylpyramide compounds as human ClpP agonists.
Eur.J.Med.Chem., 258, 2023
8IT9
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BU of 8it9 by Molmil
Co-crystal structure of FTO bound to 22
Descriptor: 2-OXOGLUTARIC ACID, 2-[(2,6-diethyl-4-pyridin-4-yl-phenyl)amino]-6-(1,4-oxazepan-4-ylmethyl)benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO
Authors:Yang, C.-G, Gan, J.H.
Deposit date:2023-03-22
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Rational Design of RNA Demethylase FTO Inhibitors with Enhanced Antileukemia Drug-Like Properties.
J.Med.Chem., 66, 2023
6IHT
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BU of 6iht by Molmil
Crystal structure of bacterial serine phosphatase bound with phosphorylated peptide
Descriptor: His12, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Yang, C.-G, yang, T.
Deposit date:2018-10-02
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.569 Å)
Cite:Structural Insight into the Mechanism of Staphylococcus aureus Stp1 Phosphatase.
Acs Infect Dis., 5, 2019
6IHL
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BU of 6ihl by Molmil
Crystal structure of bacterial serine phosphatase
Descriptor: MAGNESIUM ION, Phosphorylated protein phosphatase
Authors:Yang, C.-G, yang, T.
Deposit date:2018-09-30
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.573 Å)
Cite:Structural Insight into the Mechanism of Staphylococcus aureus Stp1 Phosphatase.
Acs Infect Dis., 5, 2019
6IHW
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BU of 6ihw by Molmil
Crystal structure of bacterial serine phosphatase bearing R161K mutation
Descriptor: MAGNESIUM ION, Phosphorylated protein phosphatase
Authors:Yang, C.-G, yang, T.
Deposit date:2018-10-02
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Insight into the Mechanism of Staphylococcus aureus Stp1 Phosphatase.
Acs Infect Dis., 5, 2019
6IHU
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BU of 6ihu by Molmil
Crystal structure of bacterial serine phosphatase bearing R161A mutation
Descriptor: MAGNESIUM ION, Phosphorylated protein phosphatase
Authors:Yang, C.-G, yang, T.
Deposit date:2018-10-02
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural Insight into the Mechanism of Staphylococcus aureus Stp1 Phosphatase.
Acs Infect Dis., 5, 2019
6IHV
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BU of 6ihv by Molmil
Crystal structure of bacterial serine phosphatase bearing R161E mutation
Descriptor: MAGNESIUM ION, Phosphorylated protein phosphatase
Authors:Yang, C.-G, yang, T.
Deposit date:2018-10-02
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insight into the Mechanism of Staphylococcus aureus Stp1 Phosphatase.
Acs Infect Dis., 5, 2019
6IHR
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BU of 6ihr by Molmil
Crystal structure of bacterial serine phosphatase with His tag
Descriptor: MAGNESIUM ION, PHOSPHATE ION, Phosphorylated protein phosphatase
Authors:Yang, C.-G, yang, T.
Deposit date:2018-10-02
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.348 Å)
Cite:Structural Insight into the Mechanism of Staphylococcus aureus Stp1 Phosphatase.
Acs Infect Dis., 5, 2019
6IHS
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BU of 6ihs by Molmil
Crystal structure of bacterial serine phosphatase with His-tag mutation
Descriptor: MAGNESIUM ION, Phosphorylated protein phosphatase
Authors:Yang, C.-G, yang, T.
Deposit date:2018-10-02
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Insight into the Mechanism of Staphylococcus aureus Stp1 Phosphatase.
Acs Infect Dis., 5, 2019

 

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