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3S2V
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BU of 3s2v by Molmil
Crystal Structure of the Ligand Binding Domain of GluK1 in Complex with an Antagonist (S)-1-(2'-Amino-2'-carboxyethyl)-3-[(2-carboxythien-3-yl)methyl]thieno[3,4-d]pyrimidin-2,4-dione at 2.5 A Resolution
分子名称: (S)-1-(2'-AMINO-2'-CARBOXYETHYL)-3-[(2-CARBOXYTHIEN-3-YL)METHYL]THIENO[3,4-D]PYRIMIDIN-2,4-DIONE, CHLORIDE ION, GLYCEROL, ...
著者Venskutonyte, R, Frydenvang, K, Kastrup, J.S.
登録日2011-05-17
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Selective kainate receptor (GluK1) ligands structurally based upon 1H-cyclopentapyrimidin-2,4(1H,3H)-dione: synthesis, molecular modeling, and pharmacological and biostructural characterization.
J.Med.Chem., 54, 2011
4BB4
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BU of 4bb4 by Molmil
ephB4 kinase domain inhibitor complex
分子名称: EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
著者Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L.
登録日2012-09-19
公開日2013-02-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery and Optimization of a Novel Series of Potent Mutant B-Raf V600E Selective Kinase Inhibitors.
J.Med.Chem., 56, 2013
4FGW
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BU of 4fgw by Molmil
Structure of Glycerol-3-Phosphate Dehydrogenase, GPD1, from Sacharomyces Cerevisiae
分子名称: Glycerol-3-phosphate dehydrogenase [NAD(+)] 1
著者Aparicio, D, Munmun, N, Carpena, X, Fita, I, Loewen, P.
登録日2012-06-05
公開日2012-11-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure of glycerol-3-phosphate dehydrogenase (GPD1) from Saccharomyces cerevisiae at 2.45A resolution
Acta Crystallogr.,Sect.F, 68, 2012
3S0R
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BU of 3s0r by Molmil
Crystal Structure of De novo Designed helical assembly protein
分子名称: De novo designed Helical Assembly
著者Acharya, R, Grigoryan, G, Kim, Y.H, DeGrado, W.F.
登録日2011-05-13
公開日2011-06-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.453 Å)
主引用文献Computational design of virus-like protein assemblies on carbon nanotube surfaces.
Science, 332, 2011
3SZD
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BU of 3szd by Molmil
Crystal structure of Pseudomonas aeruginosa OccK2 (OpdF)
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, SULFATE ION, ...
著者van den Berg, B, Eren, E.
登録日2011-07-18
公開日2012-02-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.311 Å)
主引用文献Substrate Specificity within a Family of Outer Membrane Carboxylate Channels.
Plos Biol., 10, 2012
3SYB
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BU of 3syb by Molmil
Crystal structure of Pseudomonas aeruginosa OccD3 (OpdP)
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Glycine-glutamate dipeptide porin OpdP, SULFATE ION
著者van den Berg, B, Eren, E.
登録日2011-07-16
公開日2012-02-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Substrate Specificity within a Family of Outer Membrane Carboxylate Channels.
Plos Biol., 10, 2012
3T24
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BU of 3t24 by Molmil
Crystal structure of Pseudomonas aeruginosa OpdQ
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, SULFATE ION, porin
著者van den Berg, B, Eren, E.
登録日2011-07-22
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Substrate Specificity within a Family of Outer Membrane Carboxylate Channels.
Plos Biol., 10, 2012
3SZV
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BU of 3szv by Molmil
Crystal structure of Pseudomonas aeruginosa OccK3 (OpdO)
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Pyroglutatmate porin OpdO
著者Bert van den, B, Elif, E.
登録日2011-07-19
公開日2012-02-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Substrate Specificity within a Family of Outer Membrane Carboxylate Channels.
Plos Biol., 10, 2012
3SY9
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BU of 3sy9 by Molmil
Crystal structure of Pseudomonas aeruginosa OccD2 (OpdC)
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Histidine porin OpdC, octyl beta-D-glucopyranoside
著者van den Berg, B, Eren, E.
登録日2011-07-16
公開日2012-02-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Substrate Specificity within a Family of Outer Membrane Carboxylate Channels.
Plos Biol., 10, 2012
3T0S
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BU of 3t0s by Molmil
Crystal structure of Pseudomonas aeruginosa OccK4 (OpdL)
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, porin
著者van den Berg, B, Eren, E.
登録日2011-07-20
公開日2012-02-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Substrate Specificity within a Family of Outer Membrane Carboxylate Channels.
Plos Biol., 10, 2012
3SY7
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BU of 3sy7 by Molmil
Improved crystal structure of Pseudomonas aeruginosa OprD
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Porin D
著者van den Berg, B, Eren, E.
登録日2011-07-15
公開日2012-02-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Substrate Specificity within a Family of Outer Membrane Carboxylate Channels.
Plos Biol., 10, 2012
3SYS
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BU of 3sys by Molmil
Improved crystal structure of Pseudomonas aeruginosa OccK1 (OpdK)
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, 4-HYDROXY-3-METHOXYBENZOATE, ...
著者van den Berg, B, Eren, E.
登録日2011-07-18
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Substrate Specificity within a Family of Outer Membrane Carboxylate Channels.
Plos Biol., 10, 2012
3T20
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BU of 3t20 by Molmil
Crystal structure of Pseudomonas aeruginosa OccK5 (OpdH)
分子名称: Cis-aconitate porin OpdH
著者van den Berg, B, Eren, E.
登録日2011-07-22
公開日2012-02-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Substrate Specificity within a Family of Outer Membrane Carboxylate Channels.
Plos Biol., 10, 2012
4AYB
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BU of 4ayb by Molmil
RNAP at 3.2Ang
分子名称: DNA-DIRECTED RNA POLYMERASE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
著者Wojtas, M.N, Mogni, M, Millet, O, Bell, S.D, Abrescia, N.G.A.
登録日2012-06-19
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.202 Å)
主引用文献Structural and Functional Analyses of the Interaction of Archaeal RNA Polymerase with DNA.
Nucleic Acids Res., 40, 2012
2QE2
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BU of 2qe2 by Molmil
Structure of HCV NS5B Bound to an Anthranilic Acid Inhibitor
分子名称: 2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACID, RNA-directed RNA polymerase
著者Chopra, R, Svenson, K, Bard, J.
登録日2007-06-22
公開日2007-10-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of Anthranilic Acid Derivatives as a Novel Class of Allosteric Inhibitors of Hepatitis C NS5B Polymerase
J.Med.Chem., 50, 2007
2YDI
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BU of 2ydi by Molmil
Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas
分子名称: 5-[4-(2-DIMETHYLAMINOETHYLOXY)PHENYL]-2-UREIDO-THIOPHENE-3-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION
著者Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A.
登録日2011-03-21
公開日2012-04-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
2QE5
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BU of 2qe5 by Molmil
Structure of HCV NS5B Bound to an Anthranilic Acid Inhibitor
分子名称: 2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID, RNA-directed RNA polymerase
著者Chopra, R, Svenson, K, Bard, J.
登録日2007-06-22
公開日2007-10-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification of Anthranilic Acid Derivatives as a Novel Class of Allosteric Inhibitors of Hepatitis C NS5B Polymerase
J.Med.Chem., 50, 2007
2MD0
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BU of 2md0 by Molmil
Solution structure of ShK-like immunomodulatory peptide from Ancylostoma caninum (hookworm)
分子名称: AcK1
著者Chhabra, S, Swarbrick, J.D, Mohanty, B, Chang, S.C, Chandy, G.K, Pennington, M.W, Norton, R.S.
登録日2013-08-28
公開日2014-07-02
最終更新日2024-10-16
実験手法SOLUTION NMR
主引用文献Kv1.3 channel-blocking immunomodulatory peptides from parasitic worms: implications for autoimmune diseases.
Faseb J., 28, 2014
2YEX
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BU of 2yex by Molmil
Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors
分子名称: 5-METHYL-8-(1H-PYRROL-2-YL)[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ...
著者Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A.
登録日2011-03-31
公開日2012-03-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
2YDJ
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BU of 2ydj by Molmil
Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas
分子名称: 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, PHOSPHATE ION, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A.
登録日2011-03-22
公開日2012-01-25
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
2YER
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BU of 2yer by Molmil
Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors
分子名称: 1,2-ETHANEDIOL, 5-(HYDROXYMETHYL)-8-(1H-PYRROL-2-YL)-2H-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, ...
著者Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A, Otterbein, L.
登録日2011-03-30
公開日2012-03-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
2YDK
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BU of 2ydk by Molmil
Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas
分子名称: 2-(CARBAMOYLAMINO)-5-PHENYL-N-[(3S)-PIPERIDIN-3-YL]THIOPHENE-3-CARBOXAMIDE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ...
著者Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A.
登録日2011-03-22
公開日2012-04-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
2JAI
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BU of 2jai by Molmil
DDAH1 complexed with citrulline
分子名称: CITRULLINE, NG, NG-DIMETHYLARGININE DIMETHYLAMINOHYDROLASE 1
著者Murray-Rust, J, O'Hara, B.P, Rossiter, S, Leiper, J.M, Vallance, P, McDonald, N.Q.
登録日2006-11-29
公開日2007-02-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Disruption of methylarginine metabolism impairs vascular homeostasis.
Nat. Med., 13, 2007
2JAJ
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DDAH1 complexed with L-257
分子名称: NG, NG-DIMETHYLARGININE DIMETHYLAMINOHYDROLASE 1, N~5~-{IMINO[(2-METHOXYETHYL)AMINO]METHYL}-L-ORNITHINE
著者Murray-Rust, J, O'Hara, B.P, Rossiter, S, Leiper, J.M, Vallance, P, McDonald, N.Q.
登録日2006-11-29
公開日2007-02-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Disruption of methylarginine metabolism impairs vascular homeostasis.
Nat. Med., 13, 2007
2GN8
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BU of 2gn8 by Molmil
Crystal structure of UDP-GlcNAc inverting 4,6-dehydratase in complex with NADP and UDP
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, UDP-GlcNAc C6 dehydratase, ...
著者Ishiyama, N, Creuzenet, C, Lam, J.S, Berghuis, A.M.
登録日2006-04-09
公開日2006-05-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Studies of FlaA1 from Helicobacter pylori Reveal the Mechanism for Inverting 4,6-Dehydratase Activity.
J.Biol.Chem., 281, 2006

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