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6SEJ
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BU of 6sej by Molmil
Structure of a functional monomeric properdin lacking TSR3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Properdin, alpha-D-mannopyranose, ...
著者Pedersen, D.V, Andersen, G.R.
登録日2019-07-30
公開日2019-08-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.501 Å)
主引用文献Structural Basis for Properdin Oligomerization and Convertase Stimulation in the Human Complement System.
Front Immunol, 10, 2019
6RUR
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BU of 6rur by Molmil
Structure of the SCIN stabilized C3bBb convertase bound to properdin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3, ...
著者Pedersen, D.V, Gadeberg, T.A.F, Andersen, G.R.
登録日2019-05-29
公開日2019-08-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (6 Å)
主引用文献Structural Basis for Properdin Oligomerization and Convertase Stimulation in the Human Complement System.
Front Immunol, 10, 2019
6RUS
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BU of 6rus by Molmil
Structure of a functional properdin monomer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Properdin, SULFATE ION, ...
著者Pedersen, D.V, Andersen, G.R.
登録日2019-05-29
公開日2019-08-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis for Properdin Oligomerization and Convertase Stimulation in the Human Complement System.
Front Immunol, 10, 2019
6RUV
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BU of 6ruv by Molmil
Structure of the SCIN stabilized C3bBb convertase bound to Properdin and a the non-inhibitory nanobody hFPNb1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3, ...
著者Pedersen, D.V, Andersen, G.R.
登録日2019-05-29
公開日2019-08-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (6.15 Å)
主引用文献Structural Basis for Properdin Oligomerization and Convertase Stimulation in the Human Complement System.
Front Immunol, 10, 2019
8CRB
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BU of 8crb by Molmil
Cryo-EM structure of PcrV/Fab(11-E5)
分子名称: Heavy chain, Light chain, Maltose/maltodextrin-binding periplasmic protein,Type III secretion protein PcrV
著者Yuan, B, Simonis, A, Marlovits, T.C.
登録日2023-03-08
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Discovery of highly neutralizing human antibodies targeting Pseudomonas aeruginosa.
Cell, 186, 2023
8CR9
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BU of 8cr9 by Molmil
Cryo-EM structure of PcrV/Fab(30-B8)
分子名称: Heavy chain, Maltose/maltodextrin-binding periplasmic protein,Type III secretion protein PcrV, light chain
著者Yuan, B, Simonis, A, Marlovits, T.C.
登録日2023-03-08
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Discovery of highly neutralizing human antibodies targeting Pseudomonas aeruginosa.
Cell, 186, 2023
7P4U
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BU of 7p4u by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
分子名称: Transcriptional regulator MvfR, ~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
著者Schmelz, S, Blankenfeldt, W.
登録日2021-07-13
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Towards Translation of PqsR Inverse Agonists: From In Vitro Efficacy Optimization to In Vivo Proof-of-Principle.
Adv Sci, 10, 2023
6TCH
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BU of 6tch by Molmil
Binary complex of 14-3-3 sigma and a high-affinity non-canonical 9-mer peptide binder
分子名称: 14-3-3 protein sigma, CHLORIDE ION, DLY-NVA-PPN-KCJ-SEP-PPN-B3S-BAL-PPN-LYS, ...
著者Somsen, B.A, Ottmann, C.
登録日2019-11-06
公開日2020-07-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Ultra-large chemical libraries for the discovery of high-affinity peptide binders.
Nat Commun, 11, 2020
4AIL
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BU of 4ail by Molmil
Crystal Structure of an Evolved Replicating DNA Polymerase
分子名称: 5'-D(*AP*CP*GP*GP*GP*TP*AP*AP*GP*CP*AP)-3', 5'-D(*TP*GP*CP*TP*TP*AP*CP*DOCP)-3', DNA POLYMERASE
著者Wynne, S.A, Holliger, P, Leslie, A.G.W.
登録日2012-02-10
公開日2012-03-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structures of an Apo and a Binary Complex of an Evolved Archeal B Family DNA Polymerase Capable of Synthesising Highly Cy-Dye Labelled DNA.
Plos One, 8, 2013
7OKU
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BU of 7oku by Molmil
X-ray structure of soluble EPCR in P3121 space group
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Erausquin, E, Dichiara, M.G, Lopez-Sagaseta, J.
登録日2021-05-18
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Identification of a broad lipid repertoire associated to the endothelial cell protein C receptor (EPCR).
Sci Rep, 12, 2022
2EXF
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BU of 2exf by Molmil
Solution structure of the HIV-1 nucleocapsid (NCp7(12-55)) complexed with the DNA (-) Primer Binding Site
分子名称: 5'-D(*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*C)-3', Nucleocapsid protein* (NC*), ZINC ION
著者Bourbigot, S, Bouaziz, S, Morellet, N.
登録日2005-11-08
公開日2007-04-24
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献How the HIV-1 nucleocapsid protein binds and destabilises the (-)primer binding site during reverse transcription.
J.Mol.Biol., 383, 2008
4AHC
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BU of 4ahc by Molmil
Crystal Structure of an Evolved Replicating DNA Polymerase
分子名称: DNA POLYMERASE, GLYCEROL
著者Wynne, S.A, Holliger, P, Leslie, A.G.W.
登録日2012-02-06
公開日2012-03-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of an Apo and a Binary Complex of an Evolved Archeal B Family DNA Polymerase Capable of Synthesising Highly Cy-Dye Labelled DNA.
Plos One, 8, 2013
7EL2
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BU of 7el2 by Molmil
Crystal structure of apo-HpaR from Acinetobacter baumannii
分子名称: Homoprotocatechuate degradation operon regulator HpaR
著者Permsirivisarn, P, Pakotiprapha, D.
登録日2021-04-07
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mechanism of transcription regulation by Acinetobacter baumannii HpaR in the catabolism of p-hydroxyphenylacetate.
Febs J., 289, 2022
7EL3
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BU of 7el3 by Molmil
Crystal structure of HpaR-DNA complex from Acinetobacter baumannii
分子名称: Chains: C, Chains: D, GLYCEROL, ...
著者Permsirivisarn, P, Pakotiprapha, D.
登録日2021-04-07
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanism of transcription regulation by Acinetobacter baumannii HpaR in the catabolism of p-hydroxyphenylacetate.
Febs J., 289, 2022
4P65
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BU of 4p65 by Molmil
Crystal structure of an cyclohexylalanine substituted insulin analog.
分子名称: CHLORIDE ION, Insulin, PHENOL, ...
著者Pandyarajan, V, Wan, Z, Weiss, M.A.
登録日2014-03-21
公開日2014-10-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Aromatic Anchor at an Invariant Hormone-Receptor Interface: FUNCTION OF INSULIN RESIDUE B24 WITH APPLICATION TO PROTEIN DESIGN.
J.Biol.Chem., 289, 2014
2HL7
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BU of 2hl7 by Molmil
Crystal structure of the periplasmic domain of CcmH from Pseudomonas aeruginosa
分子名称: Cytochrome C-type biogenesis protein CcmH, TETRAETHYLENE GLYCOL
著者Di Matteo, A, Travaglini-Allocatelli, C, Gianni, S, Brunori, M.
登録日2006-07-06
公開日2007-07-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A strategic protein in cytochrome c maturation: three-dimensional structure of CcmH and binding to apocytochrome c
J.Biol.Chem., 282, 2007
2GDO
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BU of 2gdo by Molmil
4-(Aminoalkylamino)-3-Benzimidazole-Quinolinones As Potent CHK1 Inhibitors
分子名称: 4-[(3S)-1-AZABICYCLO[2.2.2]OCT-3-YLAMINO]-3-(1H-BENZIMIDAZOL-2-YL)-6-CHLOROQUINOLIN-2(1H)-ONE, SULFATE ION, Serine/threonine-protein kinase Chk1
著者Le, V, Dove, J, Fang, E, Bussiere, D.E.
登録日2006-03-16
公開日2007-03-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献4-(Aminoalkylamino)-3-benzimidazole-quinolinones as potent CHK-1 inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
4GLX
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BU of 4glx by Molmil
DNA ligase A in complex with inhibitor
分子名称: 2-amino-6-bromo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide, DNA (26-MER), DNA (5'-D(*AP*CP*AP*AP*TP*TP*GP*CP*GP*AP*CP*CP*C)-3'), ...
著者Prade, L, Lange, R, Tidten-Luksch, N, Chambovey, A.
登録日2012-08-15
公開日2012-10-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-guided design, synthesis and biological evaluation of novel DNA ligase inhibitors with in vitro and in vivo anti-staphylococcal activity.
Bioorg.Med.Chem.Lett., 22, 2012
4GLW
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BU of 4glw by Molmil
DNA ligase A in complex with inhibitor
分子名称: 7-methoxy-6-methylpteridine-2,4-diamine, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase, ...
著者Prade, L, Lange, R, Tidten-Luksch, N, Chambovey, A.
登録日2012-08-15
公開日2012-10-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-guided design, synthesis and biological evaluation of novel DNA ligase inhibitors with in vitro and in vivo anti-staphylococcal activity.
Bioorg.Med.Chem.Lett., 22, 2012
3A9E
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BU of 3a9e by Molmil
Crystal structure of a mixed agonist-bound RAR-alpha and antagonist-bound RXR-alpha heterodimer ligand binding domains
分子名称: (2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)octa-2,4,6-trienoic acid, 13-mer (LXXLL motif) from Nuclear receptor coactivator 2, RETINOIC ACID, ...
著者Sato, Y, Duclaud, S, Peluso-Iltis, C, Poussin, P, Moras, D, Rochel, N, Structural Proteomics in Europe (SPINE)
登録日2009-10-24
公開日2010-10-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献The Phantom Effect of the Rexinoid LG100754: structural and functional insights
Plos One, 5, 2010
3A3Z
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BU of 3a3z by Molmil
Crystal structure of the human VDR ligand binding domain bound to the synthetic agonist compound 2alpha-methyl-AMCR277A(C23S)
分子名称: (1S,2S,3R,5Z,7E,14beta,17alpha)-17-[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-2-methyl-9,10-secoandrosta-5,7,10-triene-1,3-diol, SULFATE ION, Vitamin D3 receptor
著者Sato, Y, Antony, P, Huet, T, Sigueiro, R, Rochel, N, Moras, D, Structural Proteomics in Europe 2 (SPINE-2)
登録日2009-06-25
公開日2010-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structure-function relationships and crystal structures of the vitamin D receptor bound 2 alpha-methyl-(20S,23S)- and 2 alpha-methyl-(20S,23R)-epoxymethano-1 alpha,25-dihydroxyvitamin D3
J.Med.Chem., 53, 2010
3A40
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BU of 3a40 by Molmil
Crystal structure of the human VDR ligand binding domain bound to the synthetic agonist compound 2alpha-methyl-AMCR277B(C23R)
分子名称: (1S,2S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-2-methyl-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol, SULFATE ION, Vitamin D3 receptor
著者Sato, Y, Antony, P, Huet, T, Sigueiro, R, Rochel, N, Moras, D, Structural Proteomics in Europe 2 (SPINE-2)
登録日2009-06-25
公開日2010-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure-function relationships and crystal structures of the vitamin D receptor bound 2 alpha-methyl-(20S,23S)- and 2 alpha-methyl-(20S,23R)-epoxymethano-1 alpha,25-dihydroxyvitamin D3
J.Med.Chem., 53, 2010
3DHP
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BU of 3dhp by Molmil
Probing the role of aromatic residues at the secondary saccharide binding sites of human salivary alpha-amylase in substrate hydrolysis and bacterial binding
分子名称: 4-amino-4,6-dideoxy-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 5-HYDROXYMETHYL-CHONDURITOL, Alpha-amylase 1, ...
著者Ragunath, C, Manuel, S.G.A, Sait, H.M, Kasinathan, C.
登録日2008-06-18
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Probing the role of aromatic residues
To be Published
3K3B
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BU of 3k3b by Molmil
Co-crystal structure of the human kinesin Eg5 with a novel tetrahydro-beta-carboline
分子名称: 3-[(1R)-2-acetyl-6-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl]phenol, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Bussiere, D.E, Bellamacina, C, Le, V.
登録日2009-10-02
公開日2009-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The discovery of tetrahydro-beta-carbolines as inhibitors of the kinesin Eg5.
Bioorg.Med.Chem.Lett., 20, 2010

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