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6N4R
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BU of 6n4r by Molmil
CryoEM structure of Nav1.7 VSD2 (deactived state) in complex with the gating modifier toxin ProTx2
分子名称: Beta/omega-theraphotoxin-Tp2a, Fab heavy chain, Fab light chain, ...
著者Xu, H, Rohou, A, Arthur, C.P, Estevez, A, Ciferri, C, Payandeh, J, Koth, C.M.
登録日2018-11-20
公開日2019-01-23
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural Basis of Nav1.7 Inhibition by a Gating-Modifier Spider Toxin.
Cell, 176, 2019
6N4Q
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BU of 6n4q by Molmil
CryoEM structure of Nav1.7 VSD2 (actived state) in complex with the gating modifier toxin ProTx2
分子名称: Beta/omega-theraphotoxin-Tp2a, Fab heavy chain, Fab light chain, ...
著者Xu, H, Rohou, A, Arthur, C.P, Estevez, A, Ciferri, C, Payandeh, J, Koth, C.M.
登録日2018-11-20
公開日2019-01-23
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural Basis of Nav1.7 Inhibition by a Gating-Modifier Spider Toxin.
Cell, 176, 2019
7SJN
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BU of 7sjn by Molmil
HtrA1:Fab15H6.v4 complex
分子名称: Fab15H6.v4 Heavy Chain, Fab15H6.v4 Light Chain, Serine protease HTRA1
著者Gerhardy, S, Green, E, Estevez, A, Arthur, C.P, Ultsch, M, Rohou, A, Kirchhofer, D.
登録日2021-10-18
公開日2022-09-07
最終更新日2022-09-21
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Allosteric inhibition of HTRA1 activity by a conformational lock mechanism to treat age-related macular degeneration.
Nat Commun, 13, 2022
7SJO
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BU of 7sjo by Molmil
HtrA1S328A:Fab15H6.v4 complex
分子名称: Fab15H6.v4 Heavy Chain, Fab15H6.v4 Light Chain, Serine protease HTRA1
著者Gerhardy, S, Green, E, Estevez, A, Arthur, C.P, Ultsch, M, Rohou, A, Kirchhofer, D.
登録日2021-10-18
公開日2022-09-07
最終更新日2022-09-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Allosteric inhibition of HTRA1 activity by a conformational lock mechanism to treat age-related macular degeneration.
Nat Commun, 13, 2022
2ANW
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BU of 2anw by Molmil
Expression, crystallization and three-dimensional structure of the catalytic domain of human plasma kallikrein: Implications for structure-based design of protease inhibitors
分子名称: BENZAMIDINE, plasma kallikrein, light chain
著者Tang, J, Yu, C.L, Williams, S.R, Springman, E, Jeffery, D, Sprengeler, P.A, Estevez, A, Sampang, J, Shrader, W, Spencer, J.R, Young, W.B, McGrath, M.E, Katz, B.A.
登録日2005-08-11
公開日2005-10-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Expression, crystallization, and three-dimensional structure of the catalytic domain of human plasma kallikrein.
J.Biol.Chem., 280, 2005
2ANY
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BU of 2any by Molmil
Expression, Crystallization and the Three-dimensional Structure of the Catalytic Domain of Human Plasma Kallikrein: Implications for Structure-Based Design of Protease Inhibitors
分子名称: BENZAMIDINE, PHOSPHATE ION, plasma kallikrein, ...
著者Tang, J, Yu, C.L, Williams, S.R, Springman, E, Jeffery, D, Sprengeler, P.A, Estevez, A, Sampang, J, Shrader, W, Spencer, J.R, Young, W.B, McGrath, M.E, Katz, B.A.
登録日2005-08-11
公開日2005-10-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Expression, crystallization, and three-dimensional structure of the catalytic domain of human plasma kallikrein.
J.Biol.Chem., 280, 2005
4ERS
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BU of 4ers by Molmil
A Molecular Basis for Negative Regulation of the Glucagon Receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ...
著者Murray, J.M, Koth, C.M, Mukund, S.
登録日2012-04-20
公開日2012-08-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.637 Å)
主引用文献Molecular basis for negative regulation of the glucagon receptor.
Proc.Natl.Acad.Sci.USA, 109, 2012
6WJ5
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BU of 6wj5 by Molmil
Structure of human TRPA1 in complex with inhibitor GDC-0334
分子名称: (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide, Transient receptor potential cation channel subfamily A member 1
著者Rohou, A, Rouge, L, Arthur, C.P, Volgraf, M, Chen, H.
登録日2020-04-11
公開日2021-02-17
最終更新日2021-08-11
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献A TRPA1 inhibitor suppresses neurogenic inflammation and airway contraction for asthma treatment.
J.Exp.Med., 218, 2021
6VJA
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BU of 6vja by Molmil
Structure of CD20 in complex with rituximab Fab
分子名称: B-lymphocyte antigen CD20, CHOLESTEROL HEMISUCCINATE, Rituximab Fab heavy chain, ...
著者Rohou, A, Croll, T.I.
登録日2020-01-15
公開日2020-02-26
最終更新日2020-03-25
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of CD20 in complex with the therapeutic monoclonal antibody rituximab.
Science, 367, 2020
6N4I
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BU of 6n4i by Molmil
Structural basis of Nav1.7 inhibition by a gating-modifier spider toxin
分子名称: Beta/omega-theraphotoxin-Tp2a, Nav1.7 VSD2-NavAb channel chimera protein, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
著者Xu, H, Koth, C.M, Payandeh, J.
登録日2018-11-19
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.541 Å)
主引用文献Structural Basis of Nav1.7 Inhibition by a Gating-Modifier Spider Toxin.
Cell, 176, 2019
5KUP
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BU of 5kup by Molmil
Bruton's tyrosine kinase (BTK) with pyridazinone compound 9
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-6-oxidanylidene-5-(pyrimidin-4-ylamino)pyridin-3-yl]pyridin-2-yl]phthalazin-1-one, GLYCEROL, ...
著者Eigenbrot, C, Yu, C.
登録日2016-07-13
公開日2016-09-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.389 Å)
主引用文献Battling Btk Mutants With Noncovalent Inhibitors That Overcome Cys481 and Thr474 Mutations.
Acs Chem.Biol., 11, 2016
6VVU
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BU of 6vvu by Molmil
Anti-Tryptase fab E104.v1 bound to tryptase
分子名称: CALCIUM ION, Fab E104.v1 heavy chain, Fab E104.v1 light chain, ...
著者Ultsch, M, Koerber, J.T.
登録日2020-02-18
公開日2020-12-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Bivalent antibody pliers inhibit beta-tryptase by an allosteric mechanism dependent on the IgG hinge.
Nat Commun, 11, 2020
5EK0
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BU of 5ek0 by Molmil
Human Nav1.7-VSD4-NavAb in complex with GX-936.
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{N}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide, Chimera of bacterial Ion transport protein and human Sodium channel protein type 9 subunit alpha
著者Ahuja, S, Mukund, S, Starovasnik, M.A, Koth, C.M, Payandeh, J.
登録日2015-11-03
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.53 Å)
主引用文献Structural basis of Nav1.7 inhibition by an isoform-selective small-molecule antagonist.
Science, 350, 2015
4KVN
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BU of 4kvn by Molmil
Crystal structure of Fab 39.29 in complex with Influenza Hemagglutinin A/Perth/16/2009 (H3N2)
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Fong, R, Swem, L.R, Lupardus, P.J.
登録日2013-05-22
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A Novel In vivo Human Plasmablast Enrichment Technique Allows Rapid Identification of Therapeutic Anti-Influenza A Antibodies
Cell Host Microbe, 14, 2013
7SJP
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BU of 7sjp by Molmil
anti-HtrA1 Fab15H6.v4 bound to HtrA1-LoopA peptide
分子名称: GLYCEROL, Heavy Chain, HtrA1-LoopA peptide, ...
著者Ultsch, M.H, Gerhardy, S.
登録日2021-10-18
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Allosteric inhibition of HTRA1 activity by a conformational lock mechanism to treat age-related macular degeneration.
Nat Commun, 13, 2022
7SJM
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BU of 7sjm by Molmil
anti-HtrA1 Fab15H6.v4
分子名称: GLYCEROL, Heavy Chain, Light Chain, ...
著者Ultsch, M.H, Gerhardy, S.
登録日2021-10-18
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Allosteric inhibition of HTRA1 activity by a conformational lock mechanism to treat age-related macular degeneration.
Nat Commun, 13, 2022
3SOB
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BU of 3sob by Molmil
The structure of the first YWTD beta propeller domain of LRP6 in complex with a FAB
分子名称: CALCIUM ION, Low-density lipoprotein receptor-related protein 6, antibody heavy chain, ...
著者Wang, W, Bourhis, E, Tam, C, Zhang, Y, Rouge, L, Wu, Y, Franke, Y, Cochran, A.G.
登録日2011-06-30
公開日2011-09-21
最終更新日2014-05-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Wnt antagonists bind through a short peptide to the first beta-propeller domain of LRP5/6.
Structure, 19, 2011
3SOQ
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BU of 3soq by Molmil
The structure of the first YWTD beta propeller domain of LRP6 in complex with a DKK1 peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Dickkopf-related protein 1, ...
著者Wang, W, Bourhis, E, Zhang, Y, Rouge, L, Wu, Y, Franke, Y, Cochran, A.G.
登録日2011-06-30
公開日2011-09-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Wnt antagonists bind through a short peptide to the first beta-propeller domain of LRP5/6.
Structure, 19, 2011
3SOV
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BU of 3sov by Molmil
The structure of a beta propeller domain in complex with peptide S
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Low-density lipoprotein receptor-related protein 6, ...
著者Wang, W, Bourhis, E, Zhang, Y, Rouge, L, Wu, Y, Franke, Y, Cochran, A.G.
登録日2011-06-30
公開日2011-09-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Wnt antagonists bind through a short peptide to the first beta-propeller domain of LRP5/6.
Structure, 19, 2011
6E26
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BU of 6e26 by Molmil
NMR solution structure of the CARD9 CARD
分子名称: Caspase recruitment domain-containing protein 9
著者Holliday, M.J, Dueber, E.C, Fairbrother, W.J.
登録日2018-07-10
公開日2018-09-26
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Picomolar zinc binding modulates formation of Bcl10-nucleating assemblies of the caspase recruitment domain (CARD) of CARD9.
J. Biol. Chem., 293, 2018
6E25
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BU of 6e25 by Molmil
NMR solution structure of the CARD9 CARD bound to zinc
分子名称: Caspase recruitment domain-containing protein 9, ZINC ION
著者Holliday, M.J, Dueber, E.C, Fairbrother, W.J.
登録日2018-07-10
公開日2018-09-26
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Picomolar zinc binding modulates formation of Bcl10-nucleating assemblies of the caspase recruitment domain (CARD) of CARD9.
J. Biol. Chem., 293, 2018
6E27
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BU of 6e27 by Molmil
The CARD9 CARD domain-swapped dimer with a zinc ion bound to one of the two zinc binding sites
分子名称: Caspase recruitment domain-containing protein 9, ZINC ION
著者Holliday, M.J, Ferrao, R, Boenig, G, Deuber, E.C, Fairbrother, W.J.
登録日2018-07-10
公開日2018-09-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.811 Å)
主引用文献Picomolar zinc binding modulates formation of Bcl10-nucleating assemblies of the caspase recruitment domain (CARD) of CARD9.
J. Biol. Chem., 293, 2018
6E28
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BU of 6e28 by Molmil
The CARD9 CARD domain-swapped dimer
分子名称: Caspase recruitment domain-containing protein 9
著者Holliday, M.J, Ferrao, R, Boenig, G, Deuber, E.C, Fairbrother, W.J.
登録日2018-07-10
公開日2018-09-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Picomolar zinc binding modulates formation of Bcl10-nucleating assemblies of the caspase recruitment domain (CARD) of CARD9.
J. Biol. Chem., 293, 2018
6E37
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BU of 6e37 by Molmil
O-GlcNAc Transferase in complex with covalent inhibitor
分子名称: (2S,3R,4R,5S,6R)-3-[(2E)-but-2-enoylamino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name), O-GlcNAc transferase subunit p110, TYR-PRO-GLY-GLY-SER-THR-PRO-VAL-SER-SER-ALA-ASN
著者Li, H, Jiang, J.
登録日2018-07-13
公開日2019-11-06
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.531 Å)
主引用文献Targeted covalent inhibition of O-GlcNAc transferase in cells.
Chem.Commun.(Camb.), 55, 2019

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