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8SIV
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BU of 8siv by Molmil
Structure of Compound 2 bound to the CHK1 10-point mutant
Descriptor: N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)cyclopropanecarboxamide, Serine/threonine-protein kinase Chk1
Authors:Palte, R.L.
Deposit date:2023-04-17
Release date:2023-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.759 Å)
Cite:Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease.
J.Med.Chem., 66, 2023
6LMJ
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BU of 6lmj by Molmil
ASFV pA104R in complex with double-strand DNA
Descriptor: A104R, DNA (5'-D(*TP*GP*CP*TP*TP*AP*TP*CP*AP*AP*TP*TP*TP*GP*TP*TP*GP*CP*A)-3')
Authors:Wang, H, Qi, J, Chai, Y, Gao, F, Liu, R.
Deposit date:2019-12-25
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structural basis of African swine fever virus pA104R binding to DNA and its inhibition by stilbene derivatives.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LMH
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BU of 6lmh by Molmil
Structure of an ASFV-derived histone-like protein pA104R
Descriptor: pA104R
Authors:Wang, H, Qi, J, Chai, Y, Gao, F.
Deposit date:2019-12-25
Release date:2020-05-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:The structural basis of African swine fever virus pA104R binding to DNA and its inhibition by stilbene derivatives.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ASY
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BU of 6asy by Molmil
BiP-ATP2
Descriptor: 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Liu, Q, Yang, J, Zong, Y, Columbus, L, Zhou, L.
Deposit date:2017-08-26
Release date:2017-12-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Conformation transitions of the polypeptide-binding pocket support an active substrate release from Hsp70s.
Nat Commun, 8, 2017
6UQS
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BU of 6uqs by Molmil
Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors
Descriptor: 2-hydroxyethyl hydrogen phenylboronate, Beta-lactamase, CHLORIDE ION
Authors:Scapin, G.
Deposit date:2019-10-21
Release date:2019-10-30
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6UQT
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BU of 6uqt by Molmil
Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors
Descriptor: 2-hydroxyethyl hydrogen (3-methoxyphenyl)boronate, Beta-lactamase, CHLORIDE ION
Authors:Scapin, G.
Deposit date:2019-10-21
Release date:2019-10-30
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6UQU
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BU of 6uqu by Molmil
Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors
Descriptor: Beta-lactamase, CHLORIDE ION, PHENYL BORONIC ACID
Authors:Scapin, G.
Deposit date:2019-10-21
Release date:2019-10-30
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.0902 Å)
Cite:Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6UR3
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BU of 6ur3 by Molmil
Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors
Descriptor: 1,2-ETHANEDIOL, 2-hydroxyethyl hydrogen phenylboronate, Beta-lactamase, ...
Authors:Scapin, G.
Deposit date:2019-10-22
Release date:2019-10-30
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.423 Å)
Cite:Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6A71
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BU of 6a71 by Molmil
Crystal Structure of Human ATP7B and TM Complex
Descriptor: ATP7B protein, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Chen, W.B.
Deposit date:2018-06-30
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Tetrathiomolybdate induces dimerization of the metal-binding domain of ATPase and inhibits platination of the protein.
Nat Commun, 10, 2019
5GJS
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BU of 5gjs by Molmil
Crystal structure of H1 hemagglutinin from A/California/04/2009 in complex with a neutralizing antibody 3E1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Wang, W, Zhang, T, Ding, J.
Deposit date:2016-07-01
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Human antibody 3E1 targets the HA stem region of H1N1 and H5N6 influenza A viruses
Nat Commun, 7, 2016
5GJT
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BU of 5gjt by Molmil
Crystal structure of H1 hemagglutinin from A/Washington/05/2011 in complex with a neutralizing antibody 3E1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, heavy chain of human neutralizing antibody 3E1, ...
Authors:Wang, W, Zhang, T, Ding, J.
Deposit date:2016-07-01
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Human antibody 3E1 targets the HA stem region of H1N1 and H5N6 influenza A viruses
Nat Commun, 7, 2016
8HN6
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BU of 8hn6 by Molmil
Crystal structure of monoclonal antibody complexed with SARS-CoV-2 RBD
Descriptor: Heavy chain of monoclonal antibody 3G10, Light chain of monoclonal antibody 3G10, Spike protein S1
Authors:Qi, J, Chen, Y.
Deposit date:2022-12-07
Release date:2023-05-17
Last modified:2023-06-07
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Characterization of RBD-specific cross-neutralizing antibodies responses against SARS-CoV-2 variants from COVID-19 convalescents.
Front Immunol, 14, 2023
8HN7
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BU of 8hn7 by Molmil
Crystal structure of monoclonal antibody complexed with SARS-CoV-2 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of monoclonal antibody 3C11, Light chain of monoclonal antibody 3C11, ...
Authors:Qi, J, Chen, Y.
Deposit date:2022-12-07
Release date:2023-05-17
Last modified:2023-06-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Characterization of RBD-specific cross-neutralizing antibodies responses against SARS-CoV-2 variants from COVID-19 convalescents.
Front Immunol, 14, 2023
7XXU
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BU of 7xxu by Molmil
Macaca fascicularis galectin-10/Charcot-Leyden crystal protein
Descriptor: Galectin
Authors:Su, J.Y.
Deposit date:2022-05-31
Release date:2023-04-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Glutathione disrupts galectin-10 Charcot-Leyden crystal formation to possibly ameliorate eosinophil-based diseases such as asthma.
Acta Biochim.Biophys.Sin., 55, 2023
7XXW
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BU of 7xxw by Molmil
Macaca fascicularis galectin-10/Charcot-Leyden crystal protein with glycerol
Descriptor: GLYCEROL, Galectin
Authors:Su, J.Y.
Deposit date:2022-05-31
Release date:2023-04-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Glutathione disrupts galectin-10 Charcot-Leyden crystal formation to possibly ameliorate eosinophil-based diseases such as asthma.
Acta Biochim.Biophys.Sin., 55, 2023
7XXZ
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BU of 7xxz by Molmil
Macaca mulatta galectin-10/Charcot-Leyden crystal protein with glycerol
Descriptor: GLYCEROL, Galectin-10/Charcot-Leyden crystal protein
Authors:Su, J.Y.
Deposit date:2022-05-31
Release date:2023-04-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Glutathione disrupts galectin-10 Charcot-Leyden crystal formation to possibly ameliorate eosinophil-based diseases such as asthma.
Acta Biochim.Biophys.Sin., 55, 2023
7XXX
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BU of 7xxx by Molmil
Macaca mulatta galectin-10/Charcot-Leyden crystal protein
Descriptor: Galectin-10/Charcot-Leyden crystal protein
Authors:Su, J.Y.
Deposit date:2022-05-31
Release date:2023-04-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Glutathione disrupts galectin-10 Charcot-Leyden crystal formation to possibly ameliorate eosinophil-based diseases such as asthma.
Acta Biochim.Biophys.Sin., 55, 2023
7XXY
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BU of 7xxy by Molmil
Macaca mulatta galectin-10/Charcot-Leyden crystal protein with lactose
Descriptor: Galectin-10/Charcot-Leyden crystal protein, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y.
Deposit date:2022-05-31
Release date:2023-04-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Glutathione disrupts galectin-10 Charcot-Leyden crystal formation to possibly ameliorate eosinophil-based diseases such as asthma.
Acta Biochim.Biophys.Sin., 55, 2023
7XXV
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BU of 7xxv by Molmil
Macaca fascicularis galectin-10/Charcot-Leyden crystal protein with lactose
Descriptor: Galectin, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y.
Deposit date:2022-05-31
Release date:2023-04-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Glutathione disrupts galectin-10 Charcot-Leyden crystal formation to possibly ameliorate eosinophil-based diseases such as asthma.
Acta Biochim.Biophys.Sin., 55, 2023
8E80
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BU of 8e80 by Molmil
Structure of LRRK2-CHK1 10-pt. mutant complex with heteroaryl-1H-indazole LRRK2 inhibitor 14
Descriptor: 2-[(1r,4r)-2-{(6P)-6-[(6M)-6-(1H-pyrazol-5-yl)-1H-indazol-1-yl]pyrimidin-4-yl}-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol, Serine/threonine-protein kinase Chk1
Authors:Palte, R.L.
Deposit date:2022-08-25
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Discovery and Optimization of Potent, Selective, and Brain-Penetrant 1-Heteroaryl-1 H -Indazole LRRK2 Kinase Inhibitors for the Treatment of Parkinson's Disease.
J.Med.Chem., 65, 2022
8E81
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BU of 8e81 by Molmil
Structure of LRRK2-CHK1 10-pt. mutant complex with heteroaryl-1H-indazole LRRK2 inhibitor 25
Descriptor: (1S)-1-[(1P)-1-{6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl}-1H-indazol-6-yl]spiro[2.2]pentane-1-carbonitrile, Serine/threonine-protein kinase Chk1
Authors:Palte, R.L.
Deposit date:2022-08-25
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Discovery and Optimization of Potent, Selective, and Brain-Penetrant 1-Heteroaryl-1 H -Indazole LRRK2 Kinase Inhibitors for the Treatment of Parkinson's Disease.
J.Med.Chem., 65, 2022
6A72
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BU of 6a72 by Molmil
Copper transporter protein
Descriptor: ATP7B protein, CALCIUM ION, dioxo(di-mu-sulfide)dimolybdenum
Authors:Chen, W.B.
Deposit date:2018-07-01
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Tetrathiomolybdate induces dimerization of the metal-binding domain of ATPase and inhibits platination of the protein.
Nat Commun, 10, 2019
7FGA
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BU of 7fga by Molmil
Alpha-1,2-glucosyltransferase_UDP_sucrose_tll1591
Descriptor: Glycosyl transferase, URIDINE-5'-DIPHOSPHATE, alpha-D-glucopyranose-(1-1)-alpha-D-fructofuranose
Authors:Su, J.Y.
Deposit date:2021-07-26
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for glucosylsucrose synthesis by a member of the alpha-1,2-glucosyltransferase family
Acta Biochim.Biophys.Sin., 54, 2022
7FG9
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BU of 7fg9 by Molmil
Alpha-1,2-glucosyltransferase_UDP_tll1591
Descriptor: Glycosyl transferase, URIDINE-5'-DIPHOSPHATE
Authors:Su, J.Y.
Deposit date:2021-07-26
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Structural basis for glucosylsucrose synthesis by a member of the alpha-1,2-glucosyltransferase family
Acta Biochim.Biophys.Sin., 54, 2022
7RGU
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BU of 7rgu by Molmil
The crystal structure of RocC bound to a transcriptional terminator
Descriptor: Modified SL3 of RocR, Repressor of competence, RNA Chaperone
Authors:Kim, H.J, Edwards, R.A, Glover, J.N.M.
Deposit date:2021-07-15
Release date:2022-11-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for recognition of transcriptional terminator structures by ProQ/FinO domain RNA chaperones.
Nat Commun, 13, 2022

221051

數據於2024-06-12公開中

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