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4POL
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BU of 4pol by Molmil
Crystal structures of thioredoxin with mesna at 2.8A resolution
分子名称: 1-THIOETHANESULFONIC ACID, Thioredoxin
著者Sridhar, V, Chie-Leon, B, Badger, J, Nienaber, V.L, Hausheer, F.H.
登録日2014-02-26
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献BNP7787 Forms Novel Covalent Adducts on Human Thioredoxin and Modulates Thioredoxin Activity
J Pharmacol Clin Toxicol, 2, 2014
8D7I
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BU of 8d7i by Molmil
Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap1 from S. aureus
分子名称: Cathepsin G, C-terminal truncated form, Extracellular Adherence Protein, ...
著者Gido, C.D, Herdendorf, T.J, Geisbrecht, B.V.
登録日2022-06-07
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.63 Å)
主引用文献Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap1 from S. aureus
To Be Published
4WVP
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Crystal structure of an activity-based probe HNE complex
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BTN-3V3-NLB-OMT-OIC-3V2, ...
著者Lechtenberg, B.C, Kasperkiewicz, P, Robinson, H.R, Drag, M, Riedl, S.J.
登録日2014-11-06
公開日2015-02-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献The Elastase-PK101 Structure: Mechanism of an Ultrasensitive Activity-based Probe Revealed.
Acs Chem.Biol., 10, 2015
8DYG
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BU of 8dyg by Molmil
IL17A homodimer bound to Compound 7
分子名称: (5P)-2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid, Interleukin-17A
著者Argiriadi, M.A, Goedken, E.R.
登録日2022-08-04
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Sci Rep, 12, 2022
8DYH
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BU of 8dyh by Molmil
IL17A homodimer bound to Compound 6
分子名称: (5P)-N-benzyl-6-chloro-5-(quinolin-5-yl)pyridin-3-amine, GLYCEROL, Interleukin-17A
著者Argiriadi, M.A, Goedken, E.R.
登録日2022-08-04
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Sci Rep, 12, 2022
8DYF
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IL17A homodimer bound to Compound 10
分子名称: (5M)-3-[({2-[2-(2-{2-[2-({[(5M)-3-carboxy-5-(5,8-dihydroquinolin-4-yl)phenyl]amino}methyl)phenoxy]ethoxy}ethoxy)ethoxy]phenyl}methyl)amino]-5-(quinolin-4-yl)benzoic acid, Interleukin-17A
著者Argiriadi, M.A, Goedken, E.R.
登録日2022-08-04
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Sci Rep, 12, 2022
8DYI
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BU of 8dyi by Molmil
IL17A homodimer bound to Compound 5
分子名称: (5P)-5-[5-(benzylamino)pyridin-3-yl]-N-[2-(morpholin-4-yl)ethyl]-1H-indazol-3-amine, Interleukin-17A
著者Argiriadi, M.A, Goedken, E.R.
登録日2022-08-04
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Sci Rep, 12, 2022
8DY5
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Crystal Structure of spFv CAT2200 LH in complex with IL-17A
分子名称: CALCIUM ION, CHLORIDE ION, Interleukin-17A, ...
著者Luo, J, Boucher, L.E.
登録日2022-08-03
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY1
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BU of 8dy1 by Molmil
Crystal Structure of scFv CAT2200 LH in complex with IL-17A
分子名称: Interleukin-17A, SULFATE ION, scFv CAT2200 LH
著者Luo, J, Armstrong, A.A.
登録日2022-08-03
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8E3R
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BU of 8e3r by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAAAGGAAGTGGG)
分子名称: DNA (5'-D(*AP*AP*TP*AP*AP*AP*AP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*TP*TP*TP*TP*AP*T)-3'), Transcription factor PU.1
著者Terrell, J.R, Poon, G.M.K.
登録日2022-08-17
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
4OO5
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BU of 4oo5 by Molmil
Crystal Structure of S-nitrosated Human Thioredoxin Mutant
分子名称: Thioredoxin
著者The, J, Weichsel, A, Montfort, W.R.
登録日2014-01-30
公開日2014-02-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Crystal Structure of a Thioredoxin Mutant Displays a Dynamic N-terminal Loop Surrounding an S-nitrosation Site
To be Published
1MDM
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BU of 1mdm by Molmil
INHIBITED FRAGMENT OF ETS-1 AND PAIRED DOMAIN OF PAX5 BOUND TO DNA
分子名称: C-ETS-1 PROTEIN, PAIRED BOX PROTEIN PAX-5, PAX5/ETS BINDING SITE ON THE MB-1 PROMOTER
著者Garvie, C.W, Pufall, M.A, Graves, B.J, Wolberger, C.
登録日2002-08-07
公開日2002-12-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献STRUCTURAL ANALYSIS OF THE AUTOINHIBITION OF ETS-1 AND ITS ROLE IN PROTEIN PARTNERSHIPS
J.Biol.Chem., 277, 2002
5LGD
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BU of 5lgd by Molmil
The CIDRa domain from MCvar1 PfEMP1 bound to CD36
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Hsieh, F.L, Higgins, M.K.
登録日2016-07-06
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The structural basis for CD36 binding by the malaria parasite.
Nat Commun, 7, 2016
4POK
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BU of 4pok by Molmil
Crystal structures of thioredoxin with mesna at 2.5A resolution
分子名称: 1-THIOETHANESULFONIC ACID, Thioredoxin
著者Sridhar, V, Chie-Leon, B, Badger, J, Nienaber, V.L, Hausheer, F.H.
登録日2014-02-25
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献BNP7787 Forms Novel Covalent Adducts on Human Thioredoxin and Modulates Thioredoxin Activity
J Pharmacol Clin Toxicol, 2, 2014
4POM
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BU of 4pom by Molmil
Crystal structures of thioredoxin with mesna at 1.85A resolution
分子名称: 1-THIOETHANESULFONIC ACID, Thioredoxin
著者Sridhar, V, Chie-Leon, B, Badger, J, Nienaber, V.L, Hausheer, F.H.
登録日2014-02-26
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献BNP7787 Forms Novel Covalent Adducts on Human Thioredoxin and Modulates Thioredoxin Activity
J Pharmacol Clin Toxicol, 2, 2014
2ERE
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BU of 2ere by Molmil
Crystal Structure of a Leu3 DNA-binding domain complexed with a 15mer DNA duplex
分子名称: 5'-D(*TP*TP*GP*CP*CP*GP*GP*TP*AP*CP*CP*GP*GP*CP*A)-3', Regulatory protein LEU3, ZINC ION
著者Fitzgerald, M.X, Marmorstein, R.
登録日2005-10-24
公開日2006-04-04
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of a Leu3-DNA complex: recognition of everted CGG half-sites by a Zn2Cys6 binuclear cluster protein.
Structure, 14, 2006
2ERG
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BU of 2erg by Molmil
Crystal Structure of Leu3 DNA-binding domain with a single H50C mutation complexed with a 15mer DNA duplex
分子名称: 5'-D(*TP*TP*GP*CP*CP*GP*GP*TP*AP*CP*CP*GP*GP*CP*A)-3', Regulatory protein LEU3, ZINC ION
著者Fitzgerald, M.X, Marmorstein, R.
登録日2005-10-24
公開日2006-04-04
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structure of a Leu3-DNA complex: recognition of everted CGG half-sites by a Zn2Cys6 binuclear cluster protein.
Structure, 14, 2006
2ER8
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BU of 2er8 by Molmil
Crystal Structure of Leu3 DNA-binding domain complexed with a 12mer DNA duplex
分子名称: 5'-D(*CP*CP*CP*GP*GP*TP*AP*CP*CP*GP*GP*G)-3', Regulatory protein LEU3, ZINC ION
著者Fitzgerald, M.X, Marmorstein, R.
登録日2005-10-24
公開日2006-04-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure of a Leu3-DNA complex: recognition of everted CGG half-sites by a Zn2Cys6 binuclear cluster protein.
Structure, 14, 2006
3X2W
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BU of 3x2w by Molmil
Michaelis complex of cAMP-dependent Protein Kinase Catalytic Subunit
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, MAGNESIUM ION, ...
著者Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T.
登録日2015-01-02
公開日2015-12-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation.
Structure, 23, 2015
3KC0
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BU of 3kc0 by Molmil
Crystal structure of human liver FBPase in complex with tricyclic inhibitor 10b
分子名称: Fructose-1,6-bisphosphatase 1, [(8H-indeno[1,2-d][1,3]thiazol-4-yloxy)methyl]phosphonic acid
著者Takahashi, M, Sone, J, Hanzawa, H.
登録日2009-10-20
公開日2010-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based drug design of tricyclic 8H-indeno[1,2-d][1,3]thiazoles as potent FBPase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3KBZ
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BU of 3kbz by Molmil
Crystal structure of human liver FBPase in complex with tricyclic inhibitor 6
分子名称: Fructose-1,6-bisphosphatase 1, {[(2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
著者Takahashi, M, Sone, J, Hanzawa, H.
登録日2009-10-20
公開日2010-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-based drug design of tricyclic 8H-indeno[1,2-d][1,3]thiazoles as potent FBPase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3KC1
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BU of 3kc1 by Molmil
Crystal structure of human liver FBPase in complex with tricyclic inhibitor 19a
分子名称: Fructose-1,6-bisphosphatase 1, {[(7-carbamoyl-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
著者Takahashi, M, Sone, J, Hanzawa, H.
登録日2009-10-20
公開日2010-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-based drug design of tricyclic 8H-indeno[1,2-d][1,3]thiazoles as potent FBPase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
6YCS
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BU of 6ycs by Molmil
Human Transcription Cofactor PC4 DNA-binding domain in complex with full phosphorothioate 5-10-5 2'-O-methyl DNA gapmer antisense oligonucleotide.
分子名称: DNA (5'-D(P*(OKQ))-D(P*(OKT))-R(P*(RFJ))-D(*(OKQ)P*(OKT)P*(AS)P*(GS)P*(OKN)P*(OKN)P*(PST)P*(OKN)P*(PST)P*(GS)P*(GS)P*(AS)P*(OKT)P*(OKT))-3'), PC4 protein, SODIUM ION, ...
著者Hyjek-Skladanowska, M, Vickers, T.A, Napiorkowska, A, Anderson, B, Tanowitz, M, Crooke, S.T, Liang, X, Seth, P.P, Nowotny, M.
登録日2020-03-19
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Origins of the Increased Affinity of Phosphorothioate-Modified Therapeutic Nucleic Acids for Proteins.
J.Am.Chem.Soc., 142, 2020
5JR7
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BU of 5jr7 by Molmil
Crystal structure of an ACRDYS heterodimer [RIa(92-365):C] of PKA
分子名称: ADENOSINE-5'-DIPHOSPHATE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase type I-alpha regulatory subunit
著者Bruystens, J.G.H, Wu, J, Taylor, S.S.
登録日2016-05-05
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.56 Å)
主引用文献Structure of a PKA RI alpha Recurrent Acrodysostosis Mutant Explains Defective cAMP-Dependent Activation.
J. Mol. Biol., 428, 2016
7EZP
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BU of 7ezp by Molmil
Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 3-(3-hydroxy-3-oxopropyl)-5-(2-methylpropyl)-7-nitro-1H-indole-2-carboxylic acid, Fructose-1,6-bisphosphatase 1
著者Wang, X.Y, Zhou, J, Xu, B.L.
登録日2021-06-01
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Acs Med.Chem.Lett., 13, 2022

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件を2024-08-07に公開中

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