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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
Descriptor: Beta/omega-theraphotoxin-Tp2a, Fab heavy chain, Fab light chain, ...
Authors:Xu, H, Rohou, A, Arthur, C.P, Estevez, A, Ciferri, C, Payandeh, J, Koth, C.M.
Deposit date:2018-11-20
Release date:2019-01-23
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural Basis of Nav1.7 Inhibition by a Gating-Modifier Spider Toxin.
Cell, 176, 2019
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
Descriptor: Beta/omega-theraphotoxin-Tp2a, Fab heavy chain, Fab light chain, ...
Authors:Xu, H, Rohou, A, Arthur, C.P, Estevez, A, Ciferri, C, Payandeh, J, Koth, C.M.
Deposit date:2018-11-20
Release date:2019-01-23
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite: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
Descriptor: Fab15H6.v4 Heavy Chain, Fab15H6.v4 Light Chain, Serine protease HTRA1
Authors:Gerhardy, S, Green, E, Estevez, A, Arthur, C.P, Ultsch, M, Rohou, A, Kirchhofer, D.
Deposit date:2021-10-18
Release date:2022-09-07
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite: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
Descriptor: Fab15H6.v4 Heavy Chain, Fab15H6.v4 Light Chain, Serine protease HTRA1
Authors:Gerhardy, S, Green, E, Estevez, A, Arthur, C.P, Ultsch, M, Rohou, A, Kirchhofer, D.
Deposit date:2021-10-18
Release date:2022-09-07
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite: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
Descriptor: BENZAMIDINE, plasma kallikrein, light chain
Authors: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.
Deposit date:2005-08-11
Release date:2005-10-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: BENZAMIDINE, PHOSPHATE ION, plasma kallikrein, ...
Authors: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.
Deposit date:2005-08-11
Release date:2005-10-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Expression, crystallization, and three-dimensional structure of the catalytic domain of human plasma kallikrein.
J.Biol.Chem., 280, 2005
6WJ5
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BU of 6wj5 by Molmil
Structure of human TRPA1 in complex with inhibitor GDC-0334
Descriptor: (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
Authors:Rohou, A, Rouge, L, Arthur, C.P, Volgraf, M, Chen, H.
Deposit date:2020-04-11
Release date:2021-02-17
Last modified:2021-08-11
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A TRPA1 inhibitor suppresses neurogenic inflammation and airway contraction for asthma treatment.
J.Exp.Med., 218, 2021
4ERS
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BU of 4ers by Molmil
A Molecular Basis for Negative Regulation of the Glucagon Receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ...
Authors:Murray, J.M, Koth, C.M, Mukund, S.
Deposit date:2012-04-20
Release date:2012-08-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.637 Å)
Cite:Molecular basis for negative regulation of the glucagon receptor.
Proc.Natl.Acad.Sci.USA, 109, 2012
6N4I
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BU of 6n4i by Molmil
Structural basis of Nav1.7 inhibition by a gating-modifier spider toxin
Descriptor: 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
Authors:Xu, H, Koth, C.M, Payandeh, J.
Deposit date:2018-11-19
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.541 Å)
Cite:Structural Basis of Nav1.7 Inhibition by a Gating-Modifier Spider Toxin.
Cell, 176, 2019
5EK0
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BU of 5ek0 by Molmil
Human Nav1.7-VSD4-NavAb in complex with GX-936.
Descriptor: 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
Authors:Ahuja, S, Mukund, S, Starovasnik, M.A, Koth, C.M, Payandeh, J.
Deposit date:2015-11-03
Release date:2015-12-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.53 Å)
Cite: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)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Fong, R, Swem, L.R, Lupardus, P.J.
Deposit date:2013-05-22
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A Novel In vivo Human Plasmablast Enrichment Technique Allows Rapid Identification of Therapeutic Anti-Influenza A Antibodies
Cell Host Microbe, 14, 2013
6VJA
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BU of 6vja by Molmil
Structure of CD20 in complex with rituximab Fab
Descriptor: B-lymphocyte antigen CD20, CHOLESTEROL HEMISUCCINATE, Rituximab Fab heavy chain, ...
Authors:Rohou, A, Croll, T.I.
Deposit date:2020-01-15
Release date:2020-02-26
Last modified:2020-03-25
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of CD20 in complex with the therapeutic monoclonal antibody rituximab.
Science, 367, 2020
5KUP
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BU of 5kup by Molmil
Bruton's tyrosine kinase (BTK) with pyridazinone compound 9
Descriptor: 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, ...
Authors:Eigenbrot, C, Yu, C.
Deposit date:2016-07-13
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.389 Å)
Cite: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
Descriptor: CALCIUM ION, Fab E104.v1 heavy chain, Fab E104.v1 light chain, ...
Authors:Ultsch, M, Koerber, J.T.
Deposit date:2020-02-18
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Bivalent antibody pliers inhibit beta-tryptase by an allosteric mechanism dependent on the IgG hinge.
Nat Commun, 11, 2020
7SJP
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BU of 7sjp by Molmil
anti-HtrA1 Fab15H6.v4 bound to HtrA1-LoopA peptide
Descriptor: GLYCEROL, Heavy Chain, HtrA1-LoopA peptide, ...
Authors:Ultsch, M.H, Gerhardy, S.
Deposit date:2021-10-18
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: GLYCEROL, Heavy Chain, Light Chain, ...
Authors:Ultsch, M.H, Gerhardy, S.
Deposit date:2021-10-18
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Allosteric inhibition of HTRA1 activity by a conformational lock mechanism to treat age-related macular degeneration.
Nat Commun, 13, 2022
6E26
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BU of 6e26 by Molmil
NMR solution structure of the CARD9 CARD
Descriptor: Caspase recruitment domain-containing protein 9
Authors:Holliday, M.J, Dueber, E.C, Fairbrother, W.J.
Deposit date:2018-07-10
Release date:2018-09-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: Caspase recruitment domain-containing protein 9, ZINC ION
Authors:Holliday, M.J, Dueber, E.C, Fairbrother, W.J.
Deposit date:2018-07-10
Release date:2018-09-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: Caspase recruitment domain-containing protein 9, ZINC ION
Authors:Holliday, M.J, Ferrao, R, Boenig, G, Deuber, E.C, Fairbrother, W.J.
Deposit date:2018-07-10
Release date:2018-09-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.811 Å)
Cite: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
Descriptor: Caspase recruitment domain-containing protein 9
Authors:Holliday, M.J, Ferrao, R, Boenig, G, Deuber, E.C, Fairbrother, W.J.
Deposit date:2018-07-10
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.36 Å)
Cite: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
Descriptor: (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
Authors:Li, H, Jiang, J.
Deposit date:2018-07-13
Release date:2019-11-06
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.531 Å)
Cite:Targeted covalent inhibition of O-GlcNAc transferase in cells.
Chem.Commun.(Camb.), 55, 2019
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
Descriptor: CALCIUM ION, Low-density lipoprotein receptor-related protein 6, antibody heavy chain, ...
Authors:Wang, W, Bourhis, E, Tam, C, Zhang, Y, Rouge, L, Wu, Y, Franke, Y, Cochran, A.G.
Deposit date:2011-06-30
Release date:2011-09-21
Last modified:2014-05-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Dickkopf-related protein 1, ...
Authors:Wang, W, Bourhis, E, Zhang, Y, Rouge, L, Wu, Y, Franke, Y, Cochran, A.G.
Deposit date:2011-06-30
Release date:2011-09-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Low-density lipoprotein receptor-related protein 6, ...
Authors:Wang, W, Bourhis, E, Zhang, Y, Rouge, L, Wu, Y, Franke, Y, Cochran, A.G.
Deposit date:2011-06-30
Release date:2011-09-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Wnt antagonists bind through a short peptide to the first beta-propeller domain of LRP5/6.
Structure, 19, 2011

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