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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
1HV2
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BU of 1hv2 by Molmil
SOLUTION STRUCTURE OF YEAST ELONGIN C IN COMPLEX WITH A VON HIPPEL-LINDAU PEPTIDE
Descriptor: ELONGIN C, VON HIPPEL-LINDAU DISEASE TUMOR SUPPRESSOR
Authors:Botuyan, M.V, Mer, G, Yi, G.-S, Koth, C.M, Case, D.A, Edwards, A.M, Chazin, W.J, Arrowsmith, C.H.
Deposit date:2001-01-05
Release date:2001-09-06
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure and dynamics of yeast elongin C in complex with a von Hippel-Lindau peptide.
J.Mol.Biol., 312, 2001
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
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
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
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
6BPP
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BU of 6bpp by Molmil
E. coli MsbA in complex with LPS and inhibitor G092
Descriptor: (2E)-3-{6-[(1S)-1-(3-amino-2,6-dichlorophenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 3-HYDROXY-TETRADECANOIC ACID, ...
Authors:Ho, H, Koth, C.M, Payandeh, J.
Deposit date:2017-11-24
Release date:2018-05-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Structural basis for dual-mode inhibition of the ABC transporter MsbA.
Nature, 557, 2018
6BPL
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BU of 6bpl by Molmil
E. coli MsbA in complex with LPS and inhibitor G907
Descriptor: (2E)-3-{6-[(1S)-1-(2-chloro-6-cyclopropylphenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 2-amino-2-deoxy-alpha-D-glucopyranose, ...
Authors:Ho, H, Koth, C.M, Payandeh, J.
Deposit date:2017-11-23
Release date:2018-05-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.908 Å)
Cite:Structural basis for dual-mode inhibition of the ABC transporter MsbA.
Nature, 557, 2018
2BBJ
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BU of 2bbj by Molmil
Crystal structure of the CorA Mg2+ transporter
Descriptor: divalent cation transport-related protein
Authors:Lunin, V.V, Dobrovetsky, E, Khutoreskaya, G, Zhang, R, Joachimiak, A, Bochkarev, A, Maguire, M.E, Edwards, A.M, Koth, C.M, Structural Genomics Consortium (SGC)
Deposit date:2005-10-17
Release date:2005-12-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Crystal structure of the CorA Mg2+ transporter
Nature, 440, 2006
2BBH
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BU of 2bbh by Molmil
X-ray structure of T.maritima CorA soluble domain
Descriptor: DECYL-BETA-D-MALTOPYRANOSIDE, MAGNESIUM ION, SODIUM ION, ...
Authors:Lunin, V.V, Dobrovetsky, E, Khutoreskaya, G, Bochkarev, A, Maguire, M.E, Edwards, A.M, Koth, C.M, Structural Genomics Consortium (SGC)
Deposit date:2005-10-17
Release date:2005-12-13
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of the CorA Mg2+ transporter.
Nature, 440, 2006
7SEL
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BU of 7sel by Molmil
E. coli MsbA in complex with LPS and inhibitor G7090 (compound 3)
Descriptor: (2E)-3-{7-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic acid, (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ATP-dependent lipid A-core flippase
Authors:Payandeh, J, Koth, C.M, Verma, V.A.
Deposit date:2021-09-30
Release date:2022-03-09
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (2.978 Å)
Cite:Discovery of Inhibitors of the Lipopolysaccharide Transporter MsbA: From a Screening Hit to Potent Wild-Type Gram-Negative Activity.
J.Med.Chem., 65, 2022
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
3N7S
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BU of 3n7s by Molmil
Crystal structure of the ectodomain complex of the CGRP receptor, a Class-B GPCR, reveals the site of drug antagonism
Descriptor: Calcitonin gene-related peptide type 1 receptor, N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide, N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)-N~2~-1H-indazol-5-yl-6-methylpyrimidine-2,4-diamine, ...
Authors:Ter Haar, E.
Deposit date:2010-05-27
Release date:2010-09-15
Last modified:2022-10-26
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the Ectodomain Complex of the CGRP Receptor, a Class-B GPCR, Reveals the Site of Drug Antagonism.
Structure, 18, 2010
3N7P
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BU of 3n7p by Molmil
Crystal structure of the ectodomain complex of the CGRP receptor, a Class-B GPCR, reveals the site of drug antagonism
Descriptor: Calcitonin gene-related peptide type 1 receptor, Receptor activity-modifying protein 1, SULFATE ION
Authors:Ter Haar, E.
Deposit date:2010-05-27
Release date:2010-09-15
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Ectodomain Complex of the CGRP Receptor, a Class-B GPCR, Reveals the Site of Drug Antagonism.
Structure, 18, 2010
3N7R
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BU of 3n7r by Molmil
Crystal structure of the ectodomain complex of the CGRP receptor, a Class-B GPCR, reveals the site of drug antagonism
Descriptor: Calcitonin gene-related peptide type 1 receptor, N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide, N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide, ...
Authors:Ter Haar, E.
Deposit date:2010-05-27
Release date:2010-09-15
Last modified:2022-10-26
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of the Ectodomain Complex of the CGRP Receptor, a Class-B GPCR, Reveals the Site of Drug Antagonism.
Structure, 18, 2010
7SI1
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BU of 7si1 by Molmil
Crystal structure of apo EGFR kinase domain
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, SULFATE ION
Authors:Kung, J.E, Wu, P, Kiefer, J.R, Sudhamsu, J.
Deposit date:2021-10-12
Release date:2022-10-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Clearing the Path to Rapid High-Quality Protein Purification
To Be Published
7SHV
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BU of 7shv by Molmil
Crystal structure of BRAF kinase domain bound to GDC0879
Descriptor: 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, CHLORIDE ION, Serine/threonine-protein kinase B-raf
Authors:Kung, J.E, Sudhamsu, J.
Deposit date:2021-10-11
Release date:2022-10-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Clearing the Path to Rapid High-Quality Protein Purification
To Be Published
4LEX
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BU of 4lex by Molmil
Unliganded crystal structure of mAb7
Descriptor: FAB HEAVY CHAIN, FAB LIGHT CHAIN
Authors:Murray, J.M, Mukund, S.
Deposit date:2013-06-26
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Inhibitory mechanism of an allosteric antibody targeting the glucagon receptor.
J.Biol.Chem., 288, 2013
4LF3
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BU of 4lf3 by Molmil
Inhibitory Mechanism of an Allosteric Antibody Targeting the Glucagon Receptor
Descriptor: Fab heavy chain, Fab light chain, Glucagon receptor
Authors:Murray, J.M, Mukund, S.
Deposit date:2013-06-26
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.735 Å)
Cite:Inhibitory mechanism of an allosteric antibody targeting the glucagon receptor.
J.Biol.Chem., 288, 2013
4LY1
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BU of 4ly1 by Molmil
Structure of Human HDAC2 in complex with inhibitor 4-(acetylamino)-N-[2-amino-5-(thiophen-2-yl)phenyl]benzamide
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-(acetylamino)-N-[2-amino-5-(thiophen-2-yl)phenyl]benzamide, CALCIUM ION, ...
Authors:Fong, R, Lupardus, P.J.
Deposit date:2013-07-30
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Histone Deacetylase (HDAC) Inhibitor Kinetic Rate Constants Correlate with Cellular Histone Acetylation but Not Transcription and Cell Viability.
J.Biol.Chem., 288, 2013
4LXZ
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BU of 4lxz by Molmil
Structure of Human HDAC2 in complex with SAHA (vorinostat)
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, Histone deacetylase 2, ...
Authors:Fong, R, Lupardus, P.J.
Deposit date:2013-07-30
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Histone Deacetylase (HDAC) Inhibitor Kinetic Rate Constants Correlate with Cellular Histone Acetylation but Not Transcription and Cell Viability.
J.Biol.Chem., 288, 2013
4NNO
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BU of 4nno by Molmil
Crystal Structure of Manganese ABC transporter substrate-binding protein MntC from Staphylococcus Aureus bound to a Zinc ion
Descriptor: Lipoprotein, ZINC ION
Authors:Rouge, L, Ahuja, S, Sudhamsu, J.
Deposit date:2013-11-18
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.174 Å)
Cite:Structural analysis of bacterial ABC transporter inhibition by an antibody fragment.
Structure, 23, 2015
4NNP
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BU of 4nnp by Molmil
Crystal Structure of Apo Manganese ABC transporter MntC from Staphylococcus aureus bound to an antagonistic fab fragment
Descriptor: Heavy chain of antagonistic fab fragment, Light chain of antagonistic fab fragment, Lipoprotein
Authors:Rouge, L, Sudhamsu, J.
Deposit date:2013-11-18
Release date:2014-12-10
Last modified:2020-05-20
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural analysis of bacterial ABC transporter inhibition by an antibody fragment.
Structure, 23, 2015

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