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6JGX
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BU of 6jgx by Molmil
Crystal structure of the transcriptional regulator CadR from P. putida in complex with Cadmium(II) and DNA
Descriptor: CADMIUM ION, CadR, DNA (5'-D(*CP*AP*CP*CP*CP*TP*AP*TP*AP*GP*TP*GP*GP*CP*TP*AP*CP*AP*GP*GP*GP*T)-3'), ...
Authors:Liu, X.C, Gan, J.H, Chen, H.
Deposit date:2019-02-15
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Selective cadmium regulation mediated by a cooperative binding mechanism in CadR.
Proc.Natl.Acad.Sci.USA, 116, 2019
6K1H
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BU of 6k1h by Molmil
Structure of membrane protein
Descriptor: PTS mannose transporter subunit IID, PTS system mannose-specific EIIC component, alpha-D-mannopyranose
Authors:Wang, J.W, Zeng, J.W.
Deposit date:2019-05-10
Release date:2019-07-10
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Structure of the mannose transporter of the bacterial phosphotransferase system.
Cell Res., 29, 2019
7W26
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BU of 7w26 by Molmil
monolignol ferulate transferase
Descriptor: Ferulate monolignol transferase
Authors:Xi, L, Shuliu, D, Yue, F, Yi, Z.
Deposit date:2021-11-22
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Crystal structure of the plant feruloyl-coenzyme A monolignol transferase provides insights into the formation of monolignol ferulate conjugates.
Biochem.Biophys.Res.Commun., 594, 2022
7WUA
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BU of 7wua by Molmil
Crystal structures of FadD32 from Corynebacterium diphtheriae
Descriptor: Acyl-CoA synthase, MAGNESIUM ION, MYRISTIC ACID, ...
Authors:Liu, X.
Deposit date:2022-02-07
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Crystal structures of FadD32 and pks13-ACP domain from Corynebacterium diphtheriae
Biochem Biophys Res Commun, 590, 2022
7ECV
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BU of 7ecv by Molmil
The Csy-AcrIF14 complex
Descriptor: AcrIF14, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR-associated protein Csy3, ...
Authors:Zhang, L.X, Feng, Y.
Deposit date:2021-03-13
Release date:2021-11-17
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Insights into the dual functions of AcrIF14 during the inhibition of type I-F CRISPR-Cas surveillance complex.
Nucleic Acids Res., 49, 2021
7DU0
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BU of 7du0 by Molmil
Structure of an type I-F anti-crispr protein
Descriptor: AcrIF14
Authors:Teng, G, Yue, F.
Deposit date:2021-01-07
Release date:2021-11-17
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Insights into the dual functions of AcrIF14 during the inhibition of type I-F CRISPR-Cas surveillance complex.
Nucleic Acids Res., 49, 2021
7ECW
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BU of 7ecw by Molmil
The Csy-AcrIF14-dsDNA complex
Descriptor: 54-MER DNA, AcrIF14, CRISPR type I-F/YPEST-associated protein Csy2, ...
Authors:Zhang, L.X, Feng, Y.
Deposit date:2021-03-13
Release date:2021-11-17
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Insights into the dual functions of AcrIF14 during the inhibition of type I-F CRISPR-Cas surveillance complex.
Nucleic Acids Res., 49, 2021
7XSQ
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BU of 7xsq by Molmil
Structure of the Craspase
Descriptor: CHAT domain protein, RAMP superfamily protein, RNA (34-MER), ...
Authors:Feng, Y, Zhang, L.
Deposit date:2022-05-15
Release date:2022-11-09
Last modified:2022-12-14
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Target RNA activates the protease activity of Craspase to confer antiviral defense.
Mol.Cell, 82, 2022
7XSP
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BU of 7xsp by Molmil
Structure of gRAMP-target RNA
Descriptor: RAMP superfamily protein, RNA (35-MER), RNA (5'-R(P*GP*GP*GP*GP*CP*AP*GP*AP*AP*AP*AP*UP*UP*GP*G)-3'), ...
Authors:Feng, Y, Zhang, L.X.
Deposit date:2022-05-15
Release date:2022-11-09
Last modified:2022-12-14
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Target RNA activates the protease activity of Craspase to confer antiviral defense.
Mol.Cell, 82, 2022
7XT4
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BU of 7xt4 by Molmil
Structure of Craspase-NTR
Descriptor: CHAT domain protein, RAMP superfamily protein, RNA (34-MER), ...
Authors:Feng, Y, Zhang, L.
Deposit date:2022-05-16
Release date:2022-11-09
Last modified:2022-12-14
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Target RNA activates the protease activity of Craspase to confer antiviral defense.
Mol.Cell, 82, 2022
7XSR
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BU of 7xsr by Molmil
Structure of Craspase-target RNA
Descriptor: CHAT domain protein, RAMP superfamily protein, RNA (34-MER), ...
Authors:Feng, Y, Zhang, L.
Deposit date:2022-05-15
Release date:2022-11-09
Last modified:2022-12-14
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Target RNA activates the protease activity of Craspase to confer antiviral defense.
Mol.Cell, 82, 2022
7XSS
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BU of 7xss by Molmil
Structure of Craspase-CTR
Descriptor: CHAT domain protein, RAMP superfamily protein, RNA (34-MER), ...
Authors:Feng, Y, Zang, L.X.
Deposit date:2022-05-15
Release date:2022-11-09
Last modified:2022-12-14
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Target RNA activates the protease activity of Craspase to confer antiviral defense.
Mol.Cell, 82, 2022
7XSO
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BU of 7xso by Molmil
Structure of the type III-E CRISPR-Cas effector gRAMP
Descriptor: RAMP superfamily protein, RNA (35-MER), ZINC ION
Authors:Feng, Y, Zhang, L.
Deposit date:2022-05-15
Release date:2023-03-22
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Target RNA activates the protease activity of Craspase to confer antiviral defense.
Mol.Cell, 82, 2022
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
6DQ4
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BU of 6dq4 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR GSK-J1
Descriptor: 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.392 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQ9
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BU of 6dq9 by Molmil
Linked KDM5A JMJ Domain Bound to the Covalent Inhibitor N69 i.e. [2-((3-acrylamidophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid]
Descriptor: 1,2-ETHANEDIOL, 2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.748 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQ5
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BU of 6dq5 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N43 i.e. 3-((6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
Descriptor: Linked KDM5A Jmj Domain, MANGANESE (II) ION, N-[6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-beta-alanine
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQ7
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BU of 6dq7 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE POTENTIAL HYDROLYSIS PRODUCT OF INHIBITOR N45 i.e. 3-((6-(4-(2-cyano-3-methylbut-2-enoyl)-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Linked KDM5A Jmj Domain, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Structure-based Engineering of Reversible Covalent Inhibitors Against Histone Lysine Demethylase 5A
To Be Published
6DQE
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BU of 6dqe by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N67 i.e. 2-(5-phenyl-4-(phenyl(2-(piperidin-1-yl)ethoxy)methyl)-1H-pyrazol-1-yl)isonicotinic acid
Descriptor: 2-(5-phenyl-4-{(R)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrazol-1-yl)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.689 Å)
Cite:To be determined
To Be Published
6DQD
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BU of 6dqd by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N53 i.e. 2-(5-([1,1'-biphenyl]-3-yl)-4-(1-(2-(piperidin-1-yl)ethoxy)ethyl)-1H-pyrazol-1-yl)isonicotinic acid
Descriptor: 2-[5-([1,1'-biphenyl]-3-yl)-4-{(1S)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.987 Å)
Cite:To be determined
To Be Published
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
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
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
7YW5
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BU of 7yw5 by Molmil
Crystal Structure of the ITS1 processing by human ribonuclease ISG20L2 with mutation D327A
Descriptor: Interferon-stimulated 20 kDa exonuclease-like 2
Authors:Yang, X.Y, Liu, X.H.
Deposit date:2022-08-21
Release date:2024-01-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Molecular mechanism of human ISG20L2 for the ITS1 cleavage in the processing of 18S precursor ribosomal RNA.
Nucleic Acids Res., 52, 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

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數據於2024-06-12公開中

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