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8HTF
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BU of 8htf by Molmil
Crystal structure of an effector in complex with ubiquitin
Descriptor: NAD(+)--protein-threonine ADP-ribosyltransferase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Ubiquitin-40S ribosomal protein S27a (Fragment)
Authors:Tan, J, Wang, X, Zhou, Y, Zhu, Y.
Deposit date:2022-12-21
Release date:2023-11-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.151 Å)
Cite: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
Descriptor: NAD(+)--protein-threonine ADP-ribosyltransferase, Ubiquitin-40S ribosomal protein S27a (Fragment)
Authors:Tan, J, Wang, X, Zhou, Y, Zhu, Y.
Deposit date:2022-12-21
Release date:2023-11-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular basis of threonine ADP-ribosylation of ubiquitin by bacterial ARTs.
Nat.Chem.Biol., 20, 2024
1B4P
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BU of 1b4p by Molmil
CRYSTAL STRUCTURES OF CLASS MU CHIMERIC GST ISOENZYMES M1-2 AND M2-1
Descriptor: L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, PROTEIN (GLUTATHIONE S-TRANSFERASE), SULFATE ION
Authors:Xiao, G, Chen, J, Armstrong, R.N, Gilliland, G.L.
Deposit date:1998-12-26
Release date:2003-07-08
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structures of Class MU Chimeric GST Isoenzymes M1-2 and M2-1
To be Published
5XNB
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BU of 5xnb by Molmil
Crystal structure of the IcmS-IcmW-DotL complex of the Legionella type IVb secretion system
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DotL, IcmS protein, ...
Authors:Xu, J, Xu, D, Zhu, Y.
Deposit date:2017-05-19
Release date:2017-09-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.594 Å)
Cite:Crystal Structure of The IcmS-IcmW Complex in the Legionella Type IVb Secretion System
To Be Published
2MYP
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BU of 2myp by Molmil
An arsenate reductase in the phosphate binding state
Descriptor: Glutaredoxin arsenate reductase
Authors:Jin, C, Yu, C, Hu, C, Hu, Y.
Deposit date:2015-01-30
Release date:2015-08-05
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:A Hybrid Mechanism for the Synechocystis Arsenate Reductase Revealed by Structural Snapshots during Arsenate Reduction.
J.Biol.Chem., 290, 2015
2MYT
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BU of 2myt by Molmil
An arsenate reductase in the intermediate state
Descriptor: Glutaredoxin arsenate reductase
Authors:Jin, C, Yu, C, Hu, C, Hu, Y.
Deposit date:2015-01-30
Release date:2015-08-05
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:A Hybrid Mechanism for the Synechocystis Arsenate Reductase Revealed by Structural Snapshots during Arsenate Reduction.
J.Biol.Chem., 290, 2015
1MKT
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BU of 1mkt by Molmil
CARBOXYLIC ESTER HYDROLASE, 1.72 ANGSTROM TRIGONAL FORM OF THE BOVINE RECOMBINANT PLA2 ENZYME
Descriptor: CALCIUM ION, PHOSPHOLIPASE A2
Authors:Sundaralingam, M.
Deposit date:1997-09-06
Release date:1998-03-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:1.72 A resolution refinement of the trigonal form of bovine pancreatic phospholipase A2.
Acta Crystallogr.,Sect.D, 54, 1998
2MK5
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BU of 2mk5 by Molmil
Solution structure of a protein domain
Descriptor: Endolysin
Authors:Feng, Y, Gu, J.
Deposit date:2014-01-24
Release date:2014-05-28
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin.
Plos Pathog., 10, 2014
2MYU
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BU of 2myu by Molmil
An arsenate reductase in oxidized state
Descriptor: Glutaredoxin arsenate reductase
Authors:Jin, C, Hu, C, Hu, Y.
Deposit date:2015-01-30
Release date:2015-08-05
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:A Hybrid Mechanism for the Synechocystis Arsenate Reductase Revealed by Structural Snapshots during Arsenate Reduction.
J.Biol.Chem., 290, 2015
2MYN
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BU of 2myn by Molmil
An arsenate reductase in reduced state
Descriptor: Glutaredoxin arsenate reductase
Authors:Jin, C, Yu, C, Hu, C, Hu, Y.
Deposit date:2015-01-30
Release date:2015-08-05
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:A Hybrid Mechanism for the Synechocystis Arsenate Reductase Revealed by Structural Snapshots during Arsenate Reduction.
J.Biol.Chem., 290, 2015
8UP4
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BU of 8up4 by Molmil
Crystal structure of Lsd18 (a flavin-dependent monooxygenase)
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent monooxygenase Lsd18
Authors:Wang, Q, Chen, X, Kim, C.Y.
Deposit date:2023-10-20
Release date:2024-12-18
Last modified:2025-06-18
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structural Basis of Sequential Enantioselective Epoxidation by a Flavin-Dependent Monooxygenase in Lasalocid A Biosynthesis.
Angew.Chem.Int.Ed.Engl., 64, 2025
2EXX
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BU of 2exx by Molmil
Crystal structure of HSCARG from Homo sapiens in complex with NADP
Descriptor: GLYCEROL, HSCARG protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Dai, X, Chen, Q, Yao, D, Liang, Y, Dong, Y, Gu, X, Zheng, X, Luo, M.
Deposit date:2005-11-09
Release date:2006-11-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Restructuring of the dinucleotide-binding fold in an NADP(H) sensor protein.
Proc.Natl.Acad.Sci.USA, 104, 2007
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
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
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
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
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
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
1UNE
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BU of 1une by Molmil
CARBOXYLIC ESTER HYDROLASE, 1.5 ANGSTROM ORTHORHOMBIC FORM OF THE BOVINE RECOMBINANT PLA2
Descriptor: CALCIUM ION, PHOSPHOLIPASE A2
Authors:Sundaralingam, M.
Deposit date:1997-11-05
Release date:1998-05-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High-resolution refinement of orthorhombic bovine pancreatic phospholipase A2.
Acta Crystallogr.,Sect.D, 55, 1999
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
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
Descriptor: 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
Authors:Yun, C.H, Zhang, S.
Deposit date:2016-04-07
Release date:2017-04-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.59 Å)
Cite: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
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
4Q9V
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BU of 4q9v by Molmil
Crystal structure of TIPE3
Descriptor: CHLORIDE ION, SULFATE ION, Tumor necrosis factor alpha-induced protein 8-like protein 3
Authors:Wu, J, Zhang, X, Chen, Y.H, Shi, Y.
Deposit date:2014-05-02
Release date:2014-10-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:TIPE3 Is the Transfer Protein of Lipid Second Messengers that Promote Cancer.
Cancer Cell, 26, 2014

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