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7SUF
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BU of 7suf by Molmil
Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 06
分子名称: 1,2-ETHANEDIOL, 8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]quinazolin-2-amine, Serine/threonine-protein kinase Chk1
著者Palte, R.L.
登録日2021-11-17
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors.
J.Med.Chem., 65, 2022
7SUG
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BU of 7sug by Molmil
Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 09
分子名称: 1,2-ETHANEDIOL, 1-(2-{[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile, Serine/threonine-protein kinase Chk1
著者Palte, R.L.
登録日2021-11-17
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors.
J.Med.Chem., 65, 2022
7SUH
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BU of 7suh by Molmil
Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 15
分子名称: 1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1H-pyrazol-1-yl]-2-methylpropan-2-ol, Serine/threonine-protein kinase Chk1
著者Palte, R.L.
登録日2021-11-17
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors.
J.Med.Chem., 65, 2022
7SUJ
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BU of 7suj by Molmil
Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 24
分子名称: (3R,4R)-4-{4-[6-chloro-2-({1-[(1R)-2,2-difluorocyclopropyl]-5-methyl-1H-pyrazol-4-yl}amino)quinazolin-7-yl]piperidin-1-yl}-4-methyloxolan-3-ol, Serine/threonine-protein kinase Chk1
著者Palte, R.L.
登録日2021-11-17
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors.
J.Med.Chem., 65, 2022
6H3R
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BU of 6h3r by Molmil
Crystal structure of Smad2 without exon -MH1 bound to the CAGAC site.
分子名称: DNA (5'-D(P*GP*AP*GP*TP*GP*TP*CP*TP*GP*CP*AP*GP*AP*CP*AP*CP*TP*C)-3'), Mothers against decapentaplegic homolog, ZINC ION
著者Kaczmarska, Z, Marquez, J.A, Macias, M.J.
登録日2018-07-19
公開日2019-09-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural basis for distinct roles of SMAD2 and SMAD3 in FOXH1 pioneer-directed TGF-beta signaling
Genes Dev., 2020
7FGA
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BU of 7fga by Molmil
Alpha-1,2-glucosyltransferase_UDP_sucrose_tll1591
分子名称: Glycosyl transferase, URIDINE-5'-DIPHOSPHATE, alpha-D-glucopyranose-(1-1)-alpha-D-fructofuranose
著者Su, J.Y.
登録日2021-07-26
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献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
分子名称: Glycosyl transferase, URIDINE-5'-DIPHOSPHATE
著者Su, J.Y.
登録日2021-07-26
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Structural basis for glucosylsucrose synthesis by a member of the alpha-1,2-glucosyltransferase family
Acta Biochim.Biophys.Sin., 54, 2022
5FDP
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BU of 5fdp by Molmil
Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 Angstroms resolution.
分子名称: (4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
著者Bartual, S.G, Pinkas, D.M, Wang, Z, Ding, K, Mahajan, P, Kupinska, K, Mukhopadhyay, S, Strain-Damerell, C, Borkowska, O, Talon, R, Kopec, J, Williams, E, Tallant, C, Chaikuad, A, Sorell, F, Newman, J, Burgess-Brown, N, Arrowsmith, C.H, von Delft, F, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2015-12-16
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-Based Design of Tetrahydroisoquinoline-7-carboxamides as Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors.
J.Med.Chem., 59, 2016
7XXU
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BU of 7xxu by Molmil
Macaca fascicularis galectin-10/Charcot-Leyden crystal protein
分子名称: Galectin
著者Su, J.Y.
登録日2022-05-31
公開日2023-04-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: GLYCEROL, Galectin
著者Su, J.Y.
登録日2022-05-31
公開日2023-04-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献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
分子名称: GLYCEROL, Galectin-10/Charcot-Leyden crystal protein
著者Su, J.Y.
登録日2022-05-31
公開日2023-04-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献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
分子名称: Galectin-10/Charcot-Leyden crystal protein
著者Su, J.Y.
登録日2022-05-31
公開日2023-04-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献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
分子名称: Galectin-10/Charcot-Leyden crystal protein, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Su, J.Y.
登録日2022-05-31
公開日2023-04-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献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
分子名称: Galectin, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Su, J.Y.
登録日2022-05-31
公開日2023-04-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
分子名称: 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
著者Palte, R.L.
登録日2022-08-25
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献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
分子名称: (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
著者Palte, R.L.
登録日2022-08-25
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献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
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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, heavy chain of human neutralizing antibody 3E1, ...
著者Wang, W, Zhang, T, Ding, J.
登録日2016-07-01
公開日2016-12-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Human antibody 3E1 targets the HA stem region of H1N1 and H5N6 influenza A viruses
Nat Commun, 7, 2016
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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
著者Wang, W, Zhang, T, Ding, J.
登録日2016-07-01
公開日2016-12-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Human antibody 3E1 targets the HA stem region of H1N1 and H5N6 influenza A viruses
Nat Commun, 7, 2016
6LMJ
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BU of 6lmj by Molmil
ASFV pA104R in complex with double-strand DNA
分子名称: A104R, DNA (5'-D(*TP*GP*CP*TP*TP*AP*TP*CP*AP*AP*TP*TP*TP*GP*TP*TP*GP*CP*A)-3')
著者Wang, H, Qi, J, Chai, Y, Gao, F, Liu, R.
登録日2019-12-25
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
分子名称: pA104R
著者Wang, H, Qi, J, Chai, Y, Gao, F.
登録日2019-12-25
公開日2020-05-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.805 Å)
主引用文献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
7RGT
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BU of 7rgt by Molmil
The crystal structure of RocC, containing FinO domain, 1-126
分子名称: Repressor of competence, RNA Chaperone, SULFATE ION
著者Kim, H.J, Edwards, R.A, Glover, J.N.M.
登録日2021-07-15
公開日2022-11-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural basis for recognition of transcriptional terminator structures by ProQ/FinO domain RNA chaperones.
Nat Commun, 13, 2022
7RGU
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BU of 7rgu by Molmil
The crystal structure of RocC bound to a transcriptional terminator
分子名称: Modified SL3 of RocR, Repressor of competence, RNA Chaperone
著者Kim, H.J, Edwards, R.A, Glover, J.N.M.
登録日2021-07-15
公開日2022-11-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for recognition of transcriptional terminator structures by ProQ/FinO domain RNA chaperones.
Nat Commun, 13, 2022
7RGS
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BU of 7rgs by Molmil
The crystal structure of RocC, containing FinO domain, 24-126
分子名称: Repressor of competence, RNA Chaperone
著者Kim, H.J, Edwards, R.A, Glover, J.N.M.
登録日2021-07-15
公開日2022-11-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for recognition of transcriptional terminator structures by ProQ/FinO domain RNA chaperones.
Nat Commun, 13, 2022
2KEC
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BU of 2kec by Molmil
Structure of SDF-1/CXCL12
分子名称: Stromal cell-derived factor 1-alpha
著者Volkman, B.F, Veldkamp, C.T, Peterson, F.C.
登録日2009-01-28
公開日2009-09-29
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Monomeric structure of the cardioprotective chemokine SDF-1/CXCL12
Protein Sci., 18, 2009
2KED
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BU of 2ked by Molmil
Structure of SDF-1/CXCL12
分子名称: Stromal cell-derived factor 1-alpha
著者Volkman, B.F, Veldkamp, C.T, Peterson, F.C.
登録日2009-01-28
公開日2009-09-29
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Monomeric structure of the cardioprotective chemokine SDF-1/CXCL12
Protein Sci., 18, 2009

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