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7EAX
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BU of 7eax by Molmil
Crystal complex of p53-V272M and antimony ion
Descriptor: ANTIMONY (III) ION, Cellular tumor antigen p53, ZINC ION
Authors:Lu, M, Tang, Y.
Deposit date:2021-03-08
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Repurposing antiparasitic antimonials to noncovalently rescue temperature-sensitive p53 mutations.
Cell Rep, 39, 2022
7XP6
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BU of 7xp6 by Molmil
Cryo-EM structure of a class T GPCR in active state
Descriptor: Endoglucanase H,Taste receptor type 2 member 46,Endoglucanase H,Taste receptor type 2 member 46,Bitter taste receptor T2R46, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Liu, Z.J, Hua, T, Xu, W.X, Wu, L.J.
Deposit date:2022-05-03
Release date:2022-10-12
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural basis for strychnine activation of human bitter taste receptor TAS2R46.
Science, 377, 2022
7XP4
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BU of 7xp4 by Molmil
Cryo-EM structure of a class T GPCR in apo state
Descriptor: Endoglucanase H,Taste receptor type 2 member 46,Endoglucanase H,Taste receptor type 2 member 46,Bitter taste receptor T2R46, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Liu, Z.J, Hua, T, Xu, W.X, Wu, L.J.
Deposit date:2022-05-03
Release date:2022-10-12
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural basis for strychnine activation of human bitter taste receptor TAS2R46.
Science, 377, 2022
7XP5
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BU of 7xp5 by Molmil
Cryo-EM structure of a class T GPCR in ligand-free state
Descriptor: Endoglucanase H,Taste receptor type 2 member 46,Bitter taste receptor T2R46, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Liu, Z.J, Hua, T, Xu, W.X, Wu, L.J.
Deposit date:2022-05-03
Release date:2022-10-12
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Structural basis for strychnine activation of human bitter taste receptor TAS2R46.
Science, 377, 2022
1O6B
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BU of 1o6b by Molmil
Crystal structure of phosphopantetheine adenylyltransferase with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Structural GenomiX
Deposit date:2003-11-03
Release date:2003-11-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
4O0S
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BU of 4o0s by Molmil
Crystal structures of human kinase Aurora A
Descriptor: ADENOSINE, Aurora kinase A
Authors:Wang, J, Zhang, L, Ding, J.
Deposit date:2013-12-14
Release date:2014-12-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Functional Role of Conserved HxD-histidine in the Catalytic Core of Protein Kinases
To be Published
4O0W
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BU of 4o0w by Molmil
Crystal structures of human kinase Aurora A
Descriptor: ADENOSINE, Aurora kinase A
Authors:Wang, J, Zhang, L, Ding, J.
Deposit date:2013-12-14
Release date:2014-12-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Functional Role of Conserved HxD-histidine in the Catalytic Core of Protein Kinase
To be Published
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)
Descriptor: 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-15
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.694 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IVC
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BU of 5ivc by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N3 (4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid)
Descriptor: 1,2-ETHANEDIOL, 4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-20
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.573 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IWF
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BU of 5iwf by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor 2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinamid
Descriptor: 2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide, Lysine-specific demethylase 5A,Lysine-specific demethylase 5A, MANGANESE (II) ION
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-22
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.289 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IVB
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BU of 5ivb by Molmil
A High Resolution Structure of a Linked KDM5A Jmj Domain with Alpha-Ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, GLYCEROL, Lysine-specific demethylase 5A,Lysine-specific demethylase 5A, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-20
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.389 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IVF
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BU of 5ivf by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N10 8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol
Descriptor: 8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol, Lysine-specific demethylase 5A, MANGANESE (II) ION
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-20
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.683 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IVV
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BU of 5ivv by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N12 [3-((1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino)isonicotinic acid]
Descriptor: 3-[(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 5A, MANGANESE (II) ION
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-21
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
8R06
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BU of 8r06 by Molmil
CRYSTAL STRUCTURE OF THERMOANAEROBACTERIUM XYLANOLYTICUM GH116 BETA-GLUCOSIDASE WITH A COVALENTLY BOUND CYCLOPHELLITOL AZIRIDINE
Descriptor: (1~{R},2~{S},3~{S},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, CALCIUM ION, CHLORIDE ION, ...
Authors:Offen, W.A, Davies, G.J, Breen, I.Z.
Deposit date:2023-10-30
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:CRYSTAL STRUCTURE OF THERMOANAEROBACTERIUM XYLOLYTICUM GH116 BETA-GLUCOSIDASE WITH A COVALENTLY BOUND CYCLOPHELLITOL AZIRIDINE
JACS, 40, 2017
5IVJ
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BU of 5ivj by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N11 [3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxylic acid]
Descriptor: 3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-21
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.569 Å)
Cite: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)
Descriptor: 5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Lysine-specific demethylase 5A, MANGANESE (II) ION
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-20
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.783 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
7UW6
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BU of 7uw6 by Molmil
The co-crystal structure of low molecular weight protein tyrosine phosphatase (LMW-PTP) with a small molecule inhibitor SPAA-2
Descriptor: 2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethane-1-sulfonic acid, Low molecular weight phosphotyrosine protein phosphatase
Authors:Wang, J, Zhang, Z.Y.
Deposit date:2022-05-02
Release date:2022-10-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Based Design of Active-Site-Directed, Highly Potent, Selective, and Orally Bioavailable Low-Molecular-Weight Protein Tyrosine Phosphatase Inhibitors.
J.Med.Chem., 65, 2022
5KQA
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BU of 5kqa by Molmil
Crystal structure of buckwheat glutaredoxin-glutathione complex
Descriptor: GLUTATHIONE, Glutaredoxin-glutathione complex
Authors:Zhang, X, Wang, W, Zhao, Y, Wang, Z, Wang, H.
Deposit date:2016-07-06
Release date:2017-07-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insights into the binding of buckwheat glutaredoxin with GSH and regulation of its catalytic activity
J. Inorg. Biochem., 173, 2017
5KQL
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BU of 5kql by Molmil
Co-crystal structure of LMW-PTP in complex with 2-oxo-1-phenyl-2-(phenylamino)ethanesulfonic acid
Descriptor: (1~{S})-2-oxidanylidene-1-phenyl-2-phenylazanyl-ethanesulfonic acid, Low molecular weight phosphotyrosine protein phosphatase
Authors:Wang, J, Zhang, Z.-Y, Yu, Z.-H.
Deposit date:2016-07-06
Release date:2016-10-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Inhibition of low molecular weight protein tyrosine phosphatase by an induced-fit mechanism.
J.Med.Chem., 2016
5KQP
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BU of 5kqp by Molmil
Crystal structure of Apo-form LMW-PTP
Descriptor: Low molecular weight phosphotyrosine protein phosphatase
Authors:Wang, J, Zhang, Z.-Y, Yu, Z.-H.
Deposit date:2016-07-06
Release date:2016-10-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.052 Å)
Cite:Inhibition of low molecular weight protein tyrosine phosphatase by an induced-fit mechanism.
J.Med.Chem., 2016
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]
Descriptor: 3-{[(4-chlorophenyl)acetyl]amino}pyridine-4-carboxylic acid, Lysine-specific demethylase 5A, MANGANESE (II) ION
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-21
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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]
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 2-{5-[(4-chloro-2-methylphenyl)methoxy]-1H-pyrazol-1-yl}pyridine-4-carboxylic acid, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-21
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5KQG
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BU of 5kqg by Molmil
Co-crystal structure of LMW-PTP in complex with 2-(benzothiazol-2-ylamino)-2-oxo-1-phenylethanesulfonic acid
Descriptor: (1~{S})-2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-1-phenyl-ethanesulfonic acid, Low molecular weight phosphotyrosine protein phosphatase
Authors:Wang, J, Zhang, Z.-Y, Yu, Z.-H.
Deposit date:2016-07-06
Release date:2016-10-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Inhibition of low molecular weight protein tyrosine phosphatase by an induced-fit mechanism.
J.Med.Chem., 2016
3BLU
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BU of 3blu by Molmil
crystal structure YopH complexed with inhibitor PVS
Descriptor: (ethenylsulfonyl)benzene, Tyrosine-protein phosphatase yopH
Authors:Liu, S, Zhang, Z.-Y.
Deposit date:2007-12-11
Release date:2008-10-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Aryl vinyl sulfonates and sulfones as active site-directed and mechanism-based probes for protein tyrosine phosphatases
J.Am.Chem.Soc., 130, 2008
5KQM
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BU of 5kqm by Molmil
Co-crystal structure of LMW-PTP in complex with MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Low molecular weight phosphotyrosine protein phosphatase
Authors:Wang, J, Zhang, Z.-Y, Yu, Z.-H.
Deposit date:2016-07-06
Release date:2016-10-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Inhibition of low molecular weight protein tyrosine phosphatase by an induced-fit mechanism.
J.Med.Chem., 2016

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