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2P6B
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BU of 2p6b by Molmil
Crystal Structure of Human Calcineurin in Complex with PVIVIT Peptide
分子名称: CALCIUM ION, Calcineurin subunit B isoform 1, Calmodulin-dependent calcineurin A subunit alpha isoform, ...
著者Li, H, Zhang, L, Rao, A, Harrison, S.C, Hogan, P.G.
登録日2007-03-16
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of calcineurin in complex with PVIVIT peptide: Portrait of a low-affinity signalling interaction
J.Mol.Biol., 369, 2007
7VNI
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BU of 7vni by Molmil
AHR-ARNT PAS-B heterodimer
分子名称: Ahr homolog spineless, Aryl hydrocarbon receptor nuclear translocator, SULFATE ION
著者Dai, S.Y.
登録日2021-10-11
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Structural insight into the ligand binding mechanism of aryl hydrocarbon receptor.
Nat Commun, 13, 2022
7VNA
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BU of 7vna by Molmil
drosophlia AHR PAS-B domain
分子名称: Ahr homolog spineless
著者Dai, S.Y.
登録日2021-10-10
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.597 Å)
主引用文献Structural insight into the ligand binding mechanism of aryl hydrocarbon receptor.
Nat Commun, 13, 2022
7VNH
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BU of 7vnh by Molmil
drosophlia AHR PAS-B domain bound by the antagonist alpha-naphthoflavone
分子名称: 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE, Ahr homolog spineless
著者Dai, S.Y.
登録日2021-10-11
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献Structural insight into the ligand binding mechanism of aryl hydrocarbon receptor.
Nat Commun, 13, 2022
7WCT
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BU of 7wct by Molmil
Crystal structure of FGFR4 kinase domain with 7v
分子名称: Fibroblast growth factor receptor 4, GLYCEROL, SULFATE ION, ...
著者Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H.
登録日2021-12-20
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.106 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4.
J.Med.Chem., 65, 2022
7WCW
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BU of 7wcw by Molmil
Crystal structure of FGFR4(V550L) kinase domain with 7v
分子名称: Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide
著者Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H.
登録日2021-12-20
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.317 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4.
J.Med.Chem., 65, 2022
7WCX
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BU of 7wcx by Molmil
Crystal structure of FGFR4(V550M) kinase domain with 7v
分子名称: Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide
著者Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H.
登録日2021-12-20
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.175 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4.
J.Med.Chem., 65, 2022
7YBO
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BU of 7ybo by Molmil
Crystal structure of FGFR4 kinase domain with 10z
分子名称: Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
著者Chen, X.J, Lin, Q.M, Chen, Y.H.
登録日2022-06-29
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.307 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
7YC3
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BU of 7yc3 by Molmil
Crystal structure of FGFR4 kinase domain with 10t
分子名称: 6-bromanyl-~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide, Fibroblast growth factor receptor 4, GLYCEROL, ...
著者Chen, X.J, Lin, Q.M, Chen, Y.H.
登録日2022-06-30
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.987 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
7YC1
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BU of 7yc1 by Molmil
Crystal structure of FGFR4 kinase domain with 10d
分子名称: Fibroblast growth factor receptor 4, GLYCEROL, SULFATE ION, ...
著者Chen, X.J, Lin, Q.M, Chen, Y.H.
登録日2022-06-30
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.535 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
7YBP
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BU of 7ybp by Molmil
Crystal structure of FGFR4(V550L) kinase domain with 10z
分子名称: Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
著者Chen, X.J, Lin, Q.M, Chen, Y.H.
登録日2022-06-29
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.243 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
7YBX
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BU of 7ybx by Molmil
Crystal structure of FGFR4(V550M) kinase domain with 10z
分子名称: Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
著者Chen, X.J, Lin, Q.M, Chen, Y.H.
登録日2022-06-30
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.233 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
7F46
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BU of 7f46 by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab (state1, local refinement of the RBD, NTD and 35B5 Fab)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
著者Wang, X.F, Zhu, Y.Q.
登録日2021-06-17
公開日2022-03-23
最終更新日2022-09-21
実験手法ELECTRON MICROSCOPY (4.79 Å)
主引用文献A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
6NI2
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BU of 6ni2 by Molmil
Stabilized beta-arrestin 1-V2T subcomplex of a GPCR-G protein-beta-arrestin mega-complex
分子名称: Beta-arrestin-1, Fab30 Heavy Chain, Fab30 Light Chain, ...
著者Nguyen, A.H, Thomsen, A.R.B, Cahill, T.J, des Georges, A, Lefkowitz, R.J.
登録日2018-12-26
公開日2019-11-20
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structure of an endosomal signaling GPCR-G protein-beta-arrestin megacomplex.
Nat.Struct.Mol.Biol., 26, 2019
6NI3
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BU of 6ni3 by Molmil
B2V2R-Gs protein subcomplex of a GPCR-G protein-beta-arrestin mega-complex
分子名称: 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Endolysin,Beta-2 adrenergic receptor chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Nguyen, A.H, Thomsen, A.R.B, Cahill, T.J, des Georges, A, Lefkowitz, R.J.
登録日2018-12-26
公開日2019-11-20
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of an endosomal signaling GPCR-G protein-beta-arrestin megacomplex.
Nat.Struct.Mol.Biol., 26, 2019
6NNJ
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BU of 6nnj by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to CH31 scFv in Complex with Crystallization Chaperones 3H109L Fab and 35O22 scFv at 3.1 Angstrom
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, 35O22 scFv heavy chain, ...
著者Lai, Y.-T, Kwong, P.D.
登録日2019-01-15
公開日2019-02-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Improvement of antibody functionality by structure-guided paratope engraftment.
Nat Commun, 10, 2019
6NNF
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BU of 6nnf by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to VRC01 FR3-03 scFv in Complex with Crystallization Chaperones 3H109L Fab and 35O22 scFv at 3.5 Angstrom
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, 35O22 scFv heavy chain, ...
著者Lai, Y.-T, Kwong, P.D.
登録日2019-01-14
公開日2019-02-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.762 Å)
主引用文献Improvement of antibody functionality by structure-guided paratope engraftment.
Nat Commun, 10, 2019
6NM6
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BU of 6nm6 by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to N6 FR3-03 scFv in Complex with Crystallization Chaperones 3H109L Fab and 35O22 scFv at 3.2 Angstrom
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, 35O22 scFv heavy chain, ...
著者Lai, Y.-T, Kwong, P.D.
登録日2019-01-10
公開日2019-02-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.739 Å)
主引用文献Improvement of antibody functionality by structure-guided paratope engraftment.
Nat Commun, 10, 2019
5ZQZ
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BU of 5zqz by Molmil
Structure of human mitochondrial trifunctional protein, tetramer
分子名称: Trifunctional enzyme subunit alpha, mitochondrial, Trifunctional enzyme subunit beta
著者Liang, K, Li, N, Dai, J, Wang, X, Liu, P, Chen, X, Wang, C, Gao, N, Xiao, J.
登録日2018-04-20
公開日2018-06-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Cryo-EM structure of human mitochondrial trifunctional protein
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5ZRV
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BU of 5zrv by Molmil
Structure of human mitochondrial trifunctional protein, octamer
分子名称: Trifunctional enzyme subunit alpha, mitochondrial, Trifunctional enzyme subunit beta
著者Liang, K, Li, N, Dai, J, Wang, X, Liu, P, Chen, X, Wang, C, Gao, N, Xiao, J.
登録日2018-04-25
公開日2018-06-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (7.7 Å)
主引用文献Cryo-EM structure of human mitochondrial trifunctional protein
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
2F4B
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BU of 2f4b by Molmil
Crystal structure of the ligand binding domain of human PPAR-gamma in complex with an agonist
分子名称: (5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}-1H-INDOL-1-YL)ACETIC ACID, Peroxisome proliferator-activated receptor gamma
著者Lu, I.L, Peng, Y.H, Mahindroo, N, Hsieh, H.P, Wu, S.Y.
登録日2005-11-23
公開日2006-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Indol-1-yl Acetic Acids as Peroxisome Proliferator-Activated Receptor Agonists: Design, Synthesis, Structural Biology, and Molecular Docking Studies
J.Med.Chem., 49, 2006
6NOX
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BU of 6nox by Molmil
Solution structure of SFTI-KLK5 inhibitor
分子名称: SFTI-KLK5 Peptide
著者White, A.M.
登録日2019-01-16
公開日2019-04-03
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Amino Acid Scanning at P5' within the Bowman-Birk Inhibitory Loop Reveals Specificity Trends for Diverse Serine Proteases.
J. Med. Chem., 62, 2019
6M6I
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BU of 6m6i by Molmil
Structure of HSV2 B-capsid portal vertex
分子名称: Coiled coils chain 1, Coiled coils chain 2, Major capsid protein, ...
著者Wang, X.X, Wang, N.
登録日2020-03-14
公開日2021-03-10
実験手法ELECTRON MICROSCOPY (4.05 Å)
主引用文献Structures of the portal vertex reveal essential protein-protein interactions for Herpesvirus assembly and maturation.
Protein Cell, 11, 2020
6M6H
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BU of 6m6h by Molmil
Structure of HSV2 C-capsid portal vertex
分子名称: Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ...
著者Wang, X.X, Wang, N.
登録日2020-03-14
公開日2021-03-24
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structures of the portal vertex reveal essential protein-protein interactions for Herpesvirus assembly and maturation.
Protein Cell, 11, 2020
6M6G
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BU of 6m6g by Molmil
Structure of HSV2 viron capsid portal vertex
分子名称: Capsid vertex component 1, Capsid vertex component 2, Coiled coils, ...
著者Wang, X.X, Wang, N.
登録日2020-03-14
公開日2021-03-24
実験手法ELECTRON MICROSCOPY (5.39 Å)
主引用文献Structures of the portal vertex reveal essential protein-protein interactions for Herpesvirus assembly and maturation.
Protein Cell, 11, 2020

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