Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
3RTM
DownloadVisualize
BU of 3rtm by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide
Descriptor: 3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2011-05-03
Release date:2011-08-31
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3RU1
DownloadVisualize
BU of 3ru1 by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide
Descriptor: 3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2011-05-04
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3RVI
DownloadVisualize
BU of 3rvi by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 2-((2-Amino-6-o-tolylquinolin-3-yl)methyl)-N-(cyclohexylmethyl)pentanamide
Descriptor: (2R)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-N-(cyclohexylmethyl)pentanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2011-05-06
Release date:2011-08-31
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
6OHO
DownloadVisualize
BU of 6oho by Molmil
Structure of human Phospholipase D2 catalytic domain
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, Phospholipase D2, ...
Authors:Metrick, C.M, Chodaparambil, J.V.
Deposit date:2019-04-06
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human PLD structures enable drug design and characterization of isoenzyme selectivity.
Nat.Chem.Biol., 16, 2020
6OHR
DownloadVisualize
BU of 6ohr by Molmil
Structure of compound 5 bound human Phospholipase D1 catalytic domain
Descriptor: 4-fluoro-N-{(2S)-1-[(5R)-5-(3-fluorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl]propan-2-yl}benzamide, Phospholipase D1, chimeric constuct
Authors:Metrick, C.M, Chodaparambil, J.V.
Deposit date:2019-04-06
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Human PLD structures enable drug design and characterization of isoenzyme selectivity.
Nat.Chem.Biol., 16, 2020
6OHQ
DownloadVisualize
BU of 6ohq by Molmil
Structure of compound 4 bound human Phospholipase D2 catalytic domain
Descriptor: 4-fluoro-N-{(2S)-1-[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl}benzamide, Phospholipase D2, SULFATE ION
Authors:Metrick, C.M, Chodaparambil, J.V.
Deposit date:2019-04-06
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.694 Å)
Cite:Human PLD structures enable drug design and characterization of isoenzyme selectivity.
Nat.Chem.Biol., 16, 2020
6OHP
DownloadVisualize
BU of 6ohp by Molmil
Structure of compound 1 (halopemide) bound human Phospholipase D2 catalytic domain
Descriptor: GLYCEROL, N-{2-[4-(5-chloro-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]ethyl}-4-fluorobenzamide, Phospholipase D2, ...
Authors:Metrick, C.M, Chodaparambil, J.V.
Deposit date:2019-04-06
Release date:2020-02-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Human PLD structures enable drug design and characterization of isoenzyme selectivity.
Nat.Chem.Biol., 16, 2020
6OHM
DownloadVisualize
BU of 6ohm by Molmil
Structure of tungstate bound human Phospholipase D2 catalytic domain
Descriptor: GLYCEROL, Phospholipase D2, SULFATE ION, ...
Authors:Metrick, C.M, Chodaparambil, J.V.
Deposit date:2019-04-06
Release date:2020-02-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:Human PLD structures enable drug design and characterization of isoenzyme selectivity.
Nat.Chem.Biol., 16, 2020
6OHS
DownloadVisualize
BU of 6ohs by Molmil
Structure of compound 3 (ML299) bound human Phospholipase D2 catalytic domain
Descriptor: 4-bromo-N-{(2S)-1-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl}benzamide, Phospholipase D2
Authors:Metrick, C.M, Chodaparambil, J.V.
Deposit date:2019-04-06
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Human PLD structures enable drug design and characterization of isoenzyme selectivity.
Nat.Chem.Biol., 16, 2020
3JZK
DownloadVisualize
BU of 3jzk by Molmil
crystal structure of MDM2 with chromenotriazolopyrimidine 1
Descriptor: (6R,7S)-6,7-bis(4-bromophenyl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine, E3 ubiquitin-protein ligase Mdm2
Authors:Huang, X.
Deposit date:2009-09-23
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery and optimization of chromenotriazolopyrimidines as potent inhibitors of the mouse double minute 2-tumor protein 53 protein-protein interaction.
J.Med.Chem., 52, 2009
5KO1
DownloadVisualize
BU of 5ko1 by Molmil
Pseudokinase Domain of MLKL bound to Compound 4.
Descriptor: Mixed lineage kinase domain-like protein, [(1~{R})-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate
Authors:Marcotte, D.J.
Deposit date:2016-06-29
Release date:2016-11-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:ATP-Competitive MLKL Binders Have No Functional Impact on Necroptosis.
Plos One, 11, 2016
5KNJ
DownloadVisualize
BU of 5knj by Molmil
Pseudokinase Domain of MLKL bound to Compound 1.
Descriptor: 1-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethyloxy)phenyl]urea, Mixed lineage kinase domain-like protein
Authors:Marcotte, D.J.
Deposit date:2016-06-28
Release date:2016-11-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:ATP-Competitive MLKL Binders Have No Functional Impact on Necroptosis.
Plos One, 11, 2016
5CFB
DownloadVisualize
BU of 5cfb by Molmil
Crystal Structure of Human Glycine Receptor alpha-3 Bound to Strychnine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alpha-3,Glycine receptor subunit alpha-3, ...
Authors:Shaffer, P.L, Huang, X, Chen, H.
Deposit date:2015-07-08
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Crystal structure of human glycine receptor-alpha 3 bound to antagonist strychnine.
Nature, 526, 2015
4ERF
DownloadVisualize
BU of 4erf by Molmil
crystal structure of MDM2 (17-111) in complex with compound 29 (AM-8553)
Descriptor: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
Authors:Huang, X.
Deposit date:2012-04-20
Release date:2012-05-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
4ERE
DownloadVisualize
BU of 4ere by Molmil
crystal structure of MDM2 (17-111) in complex with compound 23
Descriptor: E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid
Authors:Huang, X.
Deposit date:2012-04-20
Release date:2012-05-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
5SX5
DownloadVisualize
BU of 5sx5 by Molmil
Crystal Structure of panitumumab in complex with epidermal growth factor receptor domain 3 mutant S468R.
Descriptor: 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2016-08-09
Release date:2016-10-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Panitumumab EGFR Complex Reveals a Binding Mechanism That Overcomes Cetuximab Induced Resistance.
Plos One, 11, 2016
5TIO
DownloadVisualize
BU of 5tio by Molmil
Crystal Structure of Human Glycine Receptor alpha-3 Bound to AM-3607
Descriptor: (3S,3aS,9bS)-2-[(2H-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c][1,6]naphthyridin-4-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ...
Authors:Shaffer, P.L, Huang, X, Chen, H.
Deposit date:2016-10-03
Release date:2017-01-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Crystal Structures of Human GlyRa3 Bound to a Novel Class of Potentiators with Efficacy in a Mouse Model of Neuropathic Pain
To Be Published
5TIN
DownloadVisualize
BU of 5tin by Molmil
Crystal Structure of Human Glycine Receptor alpha-3 Mutant N38Q Bound to AM-3607
Descriptor: (3S,3aS,9bS)-2-[(2H-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c][1,6]naphthyridin-4-one, CHLORIDE ION, GLYCINE, ...
Authors:Shaffer, P.L, Huang, X, Chen, H.
Deposit date:2016-10-03
Release date:2017-01-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal Structures of Human GlyRa3 Bound to a Novel Class of Potentiators with Efficacy in a Mouse Model of Neuropathic Pain
To Be Published
<12

 

221716

건을2024-06-26부터공개중

PDB statisticsPDBj update infoContact PDBjnumon