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7EA7
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crystal structure of NAP1 LIR in complex with GABARAP
分子名称: Gamma-aminobutyric acid receptor-associated protein, NAP1_LIR motif
著者Fu, T, Pan, L.
登録日2021-03-06
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Structural and biochemical advances on the recruitment of the autophagy-initiating ULK and TBK1 complexes by autophagy receptor NDP52.
Sci Adv, 7, 2021
7EA2
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crystal structure of NAP1 FIR in complex with RB1CC1 Claw domain
分子名称: 5-azacytidine-induced protein 2,RB1-inducible coiled-coil protein 1, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
著者Fu, T, Pan, L.
登録日2021-03-06
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structural and biochemical advances on the recruitment of the autophagy-initiating ULK and TBK1 complexes by autophagy receptor NDP52.
Sci Adv, 7, 2021
7EAA
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crystal structure of NDP52 SKICH domain in complex with RB1CC1 coiled-coil domain
分子名称: Calcium-binding and coiled-coil domain-containing protein 2, RB1-inducible coiled-coil protein 1
著者Fu, T, Pan, L.
登録日2021-03-06
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and biochemical advances on the recruitment of the autophagy-initiating ULK and TBK1 complexes by autophagy receptor NDP52.
Sci Adv, 7, 2021
3EAE
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PWWP domain of human hepatoma-derived growth factor 2 (HDGF2)
分子名称: Hepatoma-derived growth factor-related protein 2
著者Amaya, M.F, Zeng, H, Mackenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2008-08-25
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structural and Histone Binding Ability Characterizations of Human PWWP Domains.
Plos One, 6, 2011
7BP2
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Structural mechanism directing nucleosome reorganization by NAP1-RELATED PROTEIN 1 (NRP1)
分子名称: GLYCEROL, Histone H2A.6, Histone H2B.1, ...
著者Luo, Q, Baihui, W.
登録日2020-03-21
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献NAP1-Related Protein 1 (NRP1) has multiple interaction modes for chaperoning histones H2A-H2B.
Proc.Natl.Acad.Sci.USA, 117, 2020
7C00
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Crystal structure of the SRCR domain of human SCARA5.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Scavenger receptor class A member 5
著者Yu, B, He, Y.
登録日2020-04-29
公開日2020-09-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Interactions of ferritin with scavenger receptor class A members.
J.Biol.Chem., 295, 2020
7BP5
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Structural insights into nucleosome reorganization by NAP1-RELATED PROTEIN 1 (NRP1)
分子名称: ASN-ASP-PRO-ASP-TYR, GLYCEROL, Histone H2A.6, ...
著者Luo, Q, Baihui, W.
登録日2020-03-21
公開日2020-11-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献NAP1-Related Protein 1 (NRP1) has multiple interaction modes for chaperoning histones H2A-H2B.
Proc.Natl.Acad.Sci.USA, 117, 2020
2BDF
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BU of 2bdf by Molmil
Src kinase in complex with inhibitor AP23451
分子名称: Proto-oncogene tyrosine-protein kinase Src, {[(4-{[2-(4-AMINOCYCLOHEXYL)-9-ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID
著者Dalgarno, D, Stehle, T, Schelling, P, Sawyer, T, Narula, S.
登録日2005-10-20
公開日2006-10-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of Src tyrosine kinase inhibition with a new class of potent and selective trisubstituted purine-based compounds.
Chem.Biol.Drug Des., 67, 2006
7BZZ
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BU of 7bzz by Molmil
Crystal structure of the SRCR domain of mouse SCARA5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Scavenger receptor class A member 5
著者Yu, B, He, Y.
登録日2020-04-29
公開日2020-09-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Interactions of ferritin with scavenger receptor class A members.
J.Biol.Chem., 295, 2020
5U8A
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BU of 5u8a by Molmil
Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine
分子名称: (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine, Polycomb protein EED
著者Jakob, C.G, Zhu, H.
登録日2016-12-14
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
5U6D
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Polycomb protein EED in complex with inhibitor: 2-[4-(4-{(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1H-pyrazol-1-yl]acetamide
分子名称: 2-[4-(4-{(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1H-pyrazol-1-yl]acetamide, Polycomb protein EED
著者Jakob, C.G, Zhu, H.
登録日2016-12-07
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
5UG9
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BU of 5ug9 by Molmil
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
分子名称: 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ...
著者Gajiwala, K.S, Ferre, R.A.
登録日2017-01-07
公開日2017-03-22
最終更新日2018-10-10
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
5UGA
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BU of 5uga by Molmil
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium
分子名称: 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium, Epidermal growth factor receptor, GLYCEROL, ...
著者Gajiwala, K.S, Ferre, R.A.
登録日2017-01-07
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
5UGB
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BU of 5ugb by Molmil
Crystal structure of the EGFR kinase domain in complex with 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium
分子名称: 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium, Epidermal growth factor receptor
著者Gajiwala, K.S, Ferre, R.A.
登録日2017-01-07
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
8JWY
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BU of 8jwy by Molmil
Crystal structure of A2AR-T4L in complex with 2-118
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[2-oxidanylidene-1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]pyridin-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ...
著者Weng, Y, Chen, Y, Xu, Y, Song, G.
登録日2023-06-29
公開日2023-08-16
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors.
Sci China Life Sci, 67, 2024
8JWZ
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Crystal structure of A2AR-T4L in complex with AB928
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ...
著者Weng, Y, Chen, Y, Xu, Y, Song, G.
登録日2023-06-29
公開日2023-08-16
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors.
Sci China Life Sci, 67, 2024
3FZH
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BU of 3fzh by Molmil
Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors
分子名称: (2R,3R,4S,5R)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, BAG family molecular chaperone regulator 1, Heat shock cognate 71 kDa protein
著者Dokurno, P, Williamson, D.S, Murray, J.B, Surgenor, A.E.
登録日2009-01-26
公開日2009-03-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Novel adenosine-derived inhibitors of 70 kDa heat shock protein, discovered through structure-based design
J.Med.Chem., 52, 2009
3FZF
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Crystal Structure of Hsc70/Bag1 in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, BAG family molecular chaperone regulator 1, Heat shock cognate 71 kDa protein
著者Dokurno, P, Williamson, D.S, Murray, J.B, Surgenor, A.E.
登録日2009-01-26
公開日2009-03-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Novel adenosine-derived inhibitors of 70 kDa heat shock protein, discovered through structure-based design
J.Med.Chem., 52, 2009
8K0B
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BU of 8k0b by Molmil
Cryo-EM structure of TMEM63C
分子名称: Calcium permeable stress-gated cation channel 1
著者Qin, Y, Yu, D, Dong, J, Dang, S.
登録日2023-07-08
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (3.56 Å)
主引用文献Cryo-EM structure of TMEM63C suggests it functions as a monomer.
Nat Commun, 14, 2023
7FAW
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Structure of LW domain from Yeast
分子名称: Transcription elongation factor S-II
著者Liao, S, Gao, J, Tu, X.
登録日2021-07-07
公開日2022-07-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.438 Å)
主引用文献Structural basis for evolutionarily conserved interactions between TFIIS and Paf1C.
Int.J.Biol.Macromol., 253, 2023
3FZK
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Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors
分子名称: (2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG family molecular chaperone regulator 1, ...
著者Dokurno, P, Williamson, D.S, Murray, J.B, Surgenor, A.E.
登録日2009-01-26
公開日2009-03-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Novel adenosine-derived inhibitors of 70 kDa heat shock protein, discovered through structure-based design
J.Med.Chem., 52, 2009
5VAM
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BU of 5vam by Molmil
BRAF in Complex with RAF709
分子名称: N-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf
著者Mamo, M, Appleton, B.A.
登録日2017-03-27
公開日2017-06-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers.
J. Med. Chem., 60, 2017
7C7X
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BU of 7c7x by Molmil
Structural insights into nucleosome reorganization by NAP1-RELATED PROTEIN 1 (NRP1)
分子名称: GLYCEROL, Histone H2A.6, Histone H2B.1, ...
著者Luo, Q, Baihui, W.
登録日2020-05-27
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献NAP1-Related Protein 1 (NRP1) has multiple interaction modes for chaperoning histones H2A-H2B.
Proc.Natl.Acad.Sci.USA, 117, 2020
7BP4
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BU of 7bp4 by Molmil
Structural insights into nucleosome reorganization by NAP1-RELATED PROTEIN 1 (NRP1)
分子名称: ASP-ASP-ASP-ASP-TYR, GLYCEROL, Histone H2A.6, ...
著者Luo, Q, Baihui, W.
登録日2020-03-21
公開日2020-11-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献NAP1-Related Protein 1 (NRP1) has multiple interaction modes for chaperoning histones H2A-H2B.
Proc.Natl.Acad.Sci.USA, 117, 2020
7BP6
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Structural insights into nucleosome reorganization by NAP1-RELATED PROTEIN 1 (NRP1)
分子名称: Histone H2A.6, Histone H2B.1, NRP1-CTAD
著者Luo, Q, Baihui, W.
登録日2020-03-21
公開日2020-11-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献NAP1-Related Protein 1 (NRP1) has multiple interaction modes for chaperoning histones H2A-H2B.
Proc.Natl.Acad.Sci.USA, 117, 2020

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