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1U39
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BU of 1u39 by Molmil
Auto-inhibition Mechanism of X11s/Mints Family Scaffold Proteins Revealed by the Closed Conformation of the Tandem PDZ Domains
分子名称: amyloid beta A4 precursor protein-binding, family A, member 1
著者Feng, W, Long, J.-F, Chan, L.-N, He, C, Fu, A, Xia, J, Ip, N.Y, Zhang, M.
登録日2004-07-21
公開日2005-07-26
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Autoinhibition of X11/Mint scaffold proteins revealed by the closed conformation of the PDZ tandem
Nat.Struct.Mol.Biol., 12, 2005
7FAX
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BU of 7fax by Molmil
Complex structure of TbLeo1 and LW domain from Trypanosoma brucei
分子名称: TbLW, TbLeo1 peptide
著者Liao, S, Gao, J, Tu, X.
登録日2021-07-07
公開日2022-07-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for evolutionarily conserved interactions between TFIIS and Paf1C.
Int.J.Biol.Macromol., 253, 2023
6D8M
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BU of 6d8m by Molmil
Group I self-splicing intron P4-P6 domain mutant A125U/G126U
分子名称: Group I self-splicing intron, MAGNESIUM ION
著者Shoffner, G.M.
登録日2018-04-26
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献In Crystallo Selection to Establish New RNA Crystal Contacts.
Structure, 26, 2018
6D8O
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BU of 6d8o by Molmil
Group I self-splicing intron P4-P6 domain mutant A230U
分子名称: Group I self-splicing intron, MAGNESIUM ION
著者Shoffner, G.M.
登録日2018-04-26
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.80112481 Å)
主引用文献In Crystallo Selection to Establish New RNA Crystal Contacts.
Structure, 26, 2018
6D8N
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BU of 6d8n by Molmil
Group I self-splicing intron P4-P6 domain mutant G134A/U185AA
分子名称: Group I self-splicing intron, MAGNESIUM ION
著者Shoffner, G.M.
登録日2018-04-26
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.95427132 Å)
主引用文献In Crystallo Selection to Establish New RNA Crystal Contacts.
Structure, 26, 2018
5ICK
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BU of 5ick by Molmil
A unique binding model of FXR LBD with feroline
分子名称: (1S,2S,3Z,5S,8Z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate, Bile acid receptor, Nuclear receptor coactivator 2
著者Lu, Y, Li, Y.
登録日2016-02-23
公開日2017-03-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献A Novel Class of Natural FXR Modulators with a Unique Mode of Selective Co-regulator Assembly
Chembiochem, 18, 2017
8DYP
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BU of 8dyp by Molmil
Crystal structure of human cystine transporter cystinosin
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Cystinosin, Nanobody P10, ...
著者Guo, X, Feng, L.
登録日2022-08-04
公開日2022-11-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure and mechanism of human cystine exporter cystinosin.
Cell, 185, 2022
5IVX
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BU of 5ivx by Molmil
Crystal Structure of B4.2.3 T-Cell Receptor and H2-Dd P18-I10 Complex
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
著者Natarajan, K, Jiang, J, Margulies, D.
登録日2016-03-21
公開日2017-03-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献An allosteric site in the T-cell receptor C beta domain plays a critical signalling role.
Nat Commun, 8, 2017
5IW1
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BU of 5iw1 by Molmil
Crystal Structure of B4.2.3 T-Cell Receptor
分子名称: T-CELL RECEPTOR ALPHA CHAIN, T-CELL RECEPTOR BETA CHAIN
著者Natarajan, K, Jiang, J, Margulies, D.
登録日2016-03-21
公開日2017-03-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献An allosteric site in the T-cell receptor C beta domain plays a critical signalling role.
Nat Commun, 8, 2017
3V5J
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BU of 3v5j by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 090
分子名称: 3-[4-(2-morpholin-4-ylethoxy)-2-(1~{H}-thieno[3,2-c]pyrazol-3-yl)-1~{H}-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
著者McLean, L.R, Zhang, Y.
登録日2011-12-16
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
7E23
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BU of 7e23 by Molmil
SARS-CoV-2 spike in complex with the CA521 neutralizing antibody Fab (focused refinement on Fab-RBD)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CA521 Heavy Chain, CA521 Light Chain, ...
著者Liu, C, Song, D, Dou, C.
登録日2021-02-04
公開日2021-05-05
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure and function analysis of a potent human neutralizing antibody CA521 FALA against SARS-CoV-2.
Commun Biol, 4, 2021
3V8W
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BU of 3v8w by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 469
分子名称: 3-[2-(5-phenyl-2H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
著者McLean, L.R, Zhang, Y.
登録日2011-12-23
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3V5L
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BU of 3v5l by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 542
分子名称: 3-[3-(4-methoxyphenyl)-2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
著者McLean, L.R, Zhang, Y.
登録日2011-12-16
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
6D8L
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BU of 6d8l by Molmil
Group I self-splicing intron P4-P6 domain mutant U131A (without isopropanol soaking)
分子名称: Group I self-splicing intron, MAGNESIUM ION
著者Shoffner, G.M.
登録日2018-04-26
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.1402154 Å)
主引用文献In Crystallo Selection to Establish New RNA Crystal Contacts.
Structure, 26, 2018
5IAW
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BU of 5iaw by Molmil
Novel natural FXR modulator with a unique binding mode
分子名称: (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2
著者Lu, Y, Li, Y.
登録日2016-02-22
公開日2017-03-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献A Novel Class of Natural FXR Modulators with a Unique Mode of Selective Co-regulator Assembly
Chembiochem, 18, 2017
3VF9
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BU of 3vf9 by Molmil
Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Thienopyrazolylindole Inhibitor 027
分子名称: 3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol, Tyrosine-protein kinase SYK
著者McLean, L.R, Zhang, Y.
登録日2012-01-09
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
1U38
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BU of 1u38 by Molmil
Auto-inhibition Mechanism of X11s/Mints Family Scaffold Proteins Revealed by the Closed Conformation of the Tandem PDZ Domains
分子名称: PVYI, amyloid beta A4 precursor protein-binding, family A, ...
著者Feng, W, Long, J.-F, Chan, L.-N, He, C, Fu, A, Xia, J, Ip, N.Y, Zhang, M.
登録日2004-07-21
公開日2005-07-26
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Autoinhibition of X11/Mint scaffold proteins revealed by the closed conformation of the PDZ tandem
Nat.Struct.Mol.Biol., 12, 2005
3V8T
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BU of 3v8t by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477
分子名称: 3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
著者McLean, L.R, Zhang, Y.
登録日2011-12-23
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3VF8
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BU of 3vf8 by Molmil
Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Pyrazolylbenzimidazole Inhibitor 416
分子名称: 3-[5-(5-ethoxy-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,1-diethylurea, Tyrosine-protein kinase SYK
著者McLean, L.R, Zhang, Y.
登録日2012-01-09
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
8GU7
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BU of 8gu7 by Molmil
Selective targeting of the Beclin 2-Atg14L coiled coil complex by stapled peptides promotes autophagy and endolysosomal trafficking of GPCRs
分子名称: Beclin 1-associated autophagy-related key regulator, Beclin-2
著者Qiu, X, Zhao, Y.
登録日2022-09-11
公開日2023-07-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The potent BECN2-ATG14 coiled-coil interaction is selectively critical for endolysosomal degradation of GPRASP1/GASP1-associated GPCRs.
Autophagy, 19, 2023
8GT9
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BU of 8gt9 by Molmil
Selective targeting of the Beclin 2-Atg14L coiled coil complex by stapled peptides promotes autophagy and endolysosomal trafficking of GPCRs
分子名称: Beclin-2
著者Qiu, X, Zhao, Y.
登録日2022-09-07
公開日2023-07-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The potent BECN2-ATG14 coiled-coil interaction is selectively critical for endolysosomal degradation of GPRASP1/GASP1-associated GPCRs.
Autophagy, 19, 2023
7FAE
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BU of 7fae by Molmil
S protein of SARS-CoV-2 in complex bound with P36-5D2(state2)
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, P36-5D2 heavy chain, ...
著者Zhang, L, Wang, X, Shan, S, Zhang, S.
登録日2021-07-06
公開日2021-12-22
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献A Potent and Protective Human Neutralizing Antibody Against SARS-CoV-2 Variants.
Front Immunol, 12, 2021
7FAF
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BU of 7faf by Molmil
S protein of SARS-CoV-2 in complex bound with P36-5D2 (state1)
分子名称: P36-5D2 heavy chain, P36-5D2 light chain, Spike glycoprotein
著者Zhang, L, Wang, X, Zhang, S, Shan, S.
登録日2021-07-06
公開日2021-12-22
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献A Potent and Protective Human Neutralizing Antibody Against SARS-CoV-2 Variants.
Front Immunol, 12, 2021
4JIB
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BU of 4jib by Molmil
Crystal structure of of PDE2-inhibitor complex
分子名称: 1-(2-hydroxyethyl)-3-(2-methylbutan-2-yl)-5-[4-(2-methyl-1H-imidazol-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1H)-one, MAGNESIUM ION, ZINC ION, ...
著者Pandit, J.
登録日2013-03-05
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of potent, selective, bioavailable phosphodiesterase 2 (PDE2) inhibitors active in an osteoarthritis pain model, Part I: Transformation of selective pyrazolodiazepinone phosphodiesterase 4 (PDE4) inhibitors into selective PDE2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4YH4
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BU of 4yh4 by Molmil
Crystal structure of human BRD4(1) in complex with 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19d)
分子名称: 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4, GLYCEROL, ...
著者Lakshminarasimhan, D, White, A, Suto, R.K.
登録日2015-02-26
公開日2016-01-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.
Bioorg.Med.Chem.Lett., 25, 2015

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