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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
Descriptor: 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, ...
Authors:Khan, J.A.
Deposit date:2018-09-26
Release date:2019-02-06
Last modified:2021-05-12
Method:X-RAY DIFFRACTION (2.76 Å)
Cite: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]
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
6R9G
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BU of 6r9g by Molmil
Structural basis of transcription inhibition by the DNA mimic Ocr protein of bacteriophage T7
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Ye, F.Z, Zhang, X.D.
Deposit date:2019-04-03
Release date:2020-02-26
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite: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)
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
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
1CC0
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BU of 1cc0 by Molmil
CRYSTAL STRUCTURE OF THE RHOA.GDP-RHOGDI COMPLEX
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, rho GDP dissociation inhibitor alpha, ...
Authors: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.
Deposit date:1999-03-03
Release date:2000-01-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (5 Å)
Cite: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)
Descriptor: CITRIC ACID, Nucleic acid dioxygenase ALKBH1
Authors:Zhang, M, Yang, S, Zhao, W, Li, H.
Deposit date:2018-10-22
Release date:2020-01-22
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (2.593 Å)
Cite: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
Descriptor: 2-OXOGLUTARIC ACID, NICKEL (II) ION, SULFATE ION, ...
Authors:Hu, H, Du, J.
Deposit date:2018-11-01
Release date:2019-04-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: NAD(+)--protein-threonine ADP-ribosyltransferase, Ubiquitin
Authors:Tan, J, Wang, X, Zhou, Y, Zhu, Y.
Deposit date:2022-12-21
Release date:2023-11-22
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.848 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:2024-04-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: GLYCEROL, NAD(+)--protein-threonine ADP-ribosyltransferase, NICOTINAMIDE, ...
Authors:Tan, J, Wang, X, Zhou, Y, Zhu, Y.
Deposit date:2022-12-21
Release date:2023-11-22
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.307 Å)
Cite: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
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:2024-04-10
Method:X-RAY DIFFRACTION (2.151 Å)
Cite: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
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:2017-10-04
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
1MKU
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BU of 1mku by Molmil
CARBOXYLIC ESTER HYDROLASE, ORTHORHOMBIC FORM OF THE TRIPLE MUTANT
Descriptor: CALCIUM ION, PHOSPHOLIPASE A2
Authors:Sundaralingam, M.
Deposit date:1997-09-10
Release date:1997-12-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Rhamnosyltransferase protein
Authors:Zong, G, Wang, X.
Deposit date:2018-10-09
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.701 Å)
Cite: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
Descriptor: 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
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H.
Deposit date:2016-10-08
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, UDP-glycosyltransferase 89C1
Authors:Zong, G, Wang, X.
Deposit date:2018-10-09
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.206 Å)
Cite: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
Descriptor: CALCIUM ION, PHOSPHOLIPASE A2
Authors:Sundaralingam, M.
Deposit date:1997-08-27
Release date:1997-12-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: CALCIUM ION, FAB FROM A HUMAN MONOCLONAL ANTIBODY, 1D05, ...
Authors:Di Marco, S, Volpari, C, Carfi, A.
Deposit date:2010-10-10
Release date:2010-11-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: F-box only protein 4, Telomeric repeat-binding factor 1
Authors:Zeng, Z.X, Wang, W, Yang, Y.T, Chen, Y, Yang, X.M, Diehl, J.A, Liu, X.D, Lei, M.
Deposit date:2009-12-29
Release date:2010-03-09
Last modified:2013-09-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: a protein
Authors:Zhang, H, Li, Z, Li, X.Z.
Deposit date:2023-12-23
Release date:2024-05-01
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite: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
Descriptor: SmCdnG, Type VI secretion protein
Authors:Xiao, J, Wang, L.
Deposit date:2024-03-03
Release date:2024-05-01
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite: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
Descriptor: RNA-binding protein FUS
Authors:Luo, F, Gui, X, Zhou, H, Li, D, Li, X, Liu, C.
Deposit date:2017-06-14
Release date:2018-04-04
Last modified:2024-03-27
Method:ELECTRON CRYSTALLOGRAPHY (0.73 Å)
Cite: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
Descriptor: RNA-binding protein FUS, ZINC ION
Authors:Zhao, M, Gui, X, Li, D, Liu, C.
Deposit date:2017-06-09
Release date:2018-04-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.503 Å)
Cite:Atomic structures of FUS LC domain segments reveal bases for reversible amyloid fibril formation.
Nat. Struct. Mol. Biol., 25, 2018

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