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4ZGZ
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STRUCTURE OF HUMAN ANTIZYME INHIBITOR IN COMPLEX WITH A C-TERMINAL FRAGMENT OF ANTIZYME
分子名称: Antizyme inhibitor 1, Ornithine decarboxylase antizyme 1
著者Chen, S.F, Wu, H.Y, Chan, N.L.
登録日2015-04-24
公開日2015-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (5.81 Å)
主引用文献Structural basis of antizyme-mediated regulation of polyamine homeostasis
Proc.Natl.Acad.Sci.USA, 112, 2015
5LXK
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BU of 5lxk by Molmil
NMR structure of the C-terminal domain of the Bacteriophage T5 decoration protein pb10.
分子名称: Decoration protein
著者Vernhes, E, Gilquin, B, Cuniasse, P, Boulanger, P, Zinn-Justin, S.
登録日2016-09-22
公開日2017-08-02
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献High affinity anchoring of the decoration protein pb10 onto the bacteriophage T5 capsid.
Sci Rep, 7, 2017
6ML4
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BTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 3)
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*CP*GP*AP*AP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*GP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ...
著者Horton, J.R, Cheng, X, Ren, R.
登録日2018-09-26
公開日2019-07-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.482 Å)
主引用文献Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
4ZRP
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TC:CD320
分子名称: CALCIUM ION, CD320 antigen, CYANOCOBALAMIN, ...
著者Alam, A, Locher, K.P.
登録日2015-05-12
公開日2016-07-20
最終更新日2021-08-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of transcobalamin recognition by human CD320 receptor.
Nat Commun, 7, 2016
181L
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BU of 181l by Molmil
SPECIFICITY OF LIGAND BINDING IN A BURIED NON-POLAR CAVITY OF T4 LYSOZYME: LINKAGE OF DYNAMICS AND STRUCTURAL PLASTICITY
分子名称: 2-HYDROXYETHYL DISULFIDE, BENZENE, CHLORIDE ION, ...
著者Morton, A, Matthews, B.W.
登録日1995-04-19
公開日1995-07-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Specificity of ligand binding in a buried nonpolar cavity of T4 lysozyme: linkage of dynamics and structural plasticity.
Biochemistry, 34, 1995
6MTJ
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Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-378806 in Complex with Human Antibodies 3H109L and 35O22 at 2.9 Angstrom
分子名称: 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 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Lai, Y.-T, Kwong, P.D.
登録日2018-10-19
公開日2019-01-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.336 Å)
主引用文献Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
5LZ7
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Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
分子名称: 2-fluoranyl-5-[2-[(4~{R})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase
著者Woolford, A, Day, P.
登録日2016-09-29
公開日2016-12-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016
4ZSQ
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BACE crystal structure with tricyclic aminothiazine inhibitor
分子名称: Beta-secretase 1, GLYCEROL, N-[(4S,4aS,6S,8aR)-10-aminohexahydro-3H-4,8a-(epithiomethenoazeno)isochromen-6(1H)-yl]-3-chlorobenzamide
著者Timm, D.E.
登録日2015-05-13
公開日2015-06-10
最終更新日2015-06-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Preparation and biological evaluation of conformationally constrained BACE1 inhibitors.
Bioorg.Med.Chem., 23, 2015
6MST
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BU of 6mst by Molmil
Cryo-EM structure of human AA amyloid fibril
分子名称: Serum amyloid A-1 protein
著者Loerch, S, Rennegarbe, M, Liberta, F, Grigorieff, N, Fandrich, M, Schmidt, M.
登録日2018-10-18
公開日2019-03-13
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM fibril structures from systemic AA amyloidosis reveal the species complementarity of pathological amyloids.
Nat Commun, 10, 2019
4RG2
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BU of 4rg2 by Molmil
Tudor Domain of Tumor suppressor p53BP1 with small molecule ligand
分子名称: 1,2-ETHANEDIOL, 3-bromo-N-[3-(tert-butylamino)propyl]benzamide, Tumor suppressor p53-binding protein 1, ...
著者Dong, A, Mader, P, James, L, Perfetti, M, Tempel, W, Frye, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2014-09-29
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Identification of a fragment-like small molecule ligand for the methyl-lysine binding protein, 53BP1.
ACS Chem. Biol., 10, 2015
6N4D
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BU of 6n4d by Molmil
The crystal structure of neuramindase from A/canine/IL/11613/2015 (H3N2) influenza virus.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Yang, H, Stevens, J.
登録日2018-11-19
公開日2019-01-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Assessment of Molecular, Antigenic, and Pathological Features of Canine Influenza A(H3N2) Viruses That Emerged in the United States.
J. Infect. Dis., 216, 2017
6ML7
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BU of 6ml7 by Molmil
ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 4 with a CpG 5mC Modification)
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*(5CM)P*GP*AP*AP*TP*T)-3'), ...
著者Horton, J.R, Cheng, X, Ren, R.
登録日2018-09-26
公開日2019-07-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
5LYX
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BU of 5lyx by Molmil
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX; WITH AN INHIBITOR 5-((R)-1-[1,2,4]Triazolo[1,5-a]pyrimidin-7-yl-pyrrolidin-2-ylmethoxy)-isoquinoline
分子名称: 5-[[(2~{R})-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]isoquinoline, MANGANESE (II) ION, Methionine aminopeptidase 2
著者Musil, D, Heinrich, T, Lehmann, M.
登録日2016-09-29
公開日2017-08-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Novel reversible methionine aminopeptidase-2 (MetAP-2) inhibitors based on purine and related bicyclic templates.
Bioorg. Med. Chem. Lett., 27, 2017
6MU8
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BU of 6mu8 by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-386150 in Complex with Human Antibodies 3H109L and 35O22 at 3.5 Angstrom
分子名称: 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-(4-bromo-7-fluoro-1H-indol-3-yl)ethane-1,2-dione, 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Lai, Y.-T, Kwong, P.D.
登録日2018-10-22
公開日2019-01-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.993 Å)
主引用文献Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
5CP3
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BU of 5cp3 by Molmil
Crystal Structure of an Antigen-Binding Fragment of Monoclonal Antibody against Sulfonamides in Complex with Sulfathiazole
分子名称: 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, CALCIUM ION, GLYCEROL, ...
著者Wang, Z, Shen, J, Li, C, Li, Y, Wen, K, Yu, X, Zhang, X.
登録日2015-07-21
公開日2015-08-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Class-specific Monoclonal Antibodies and Dihydropteroate Synthase in Bioassays used for the Detection of Sulfonamides: Structural Insights into Recognition Diversity.
Anal. Chem., 91, 2019
3ZXI
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Crystal structure of human mitochondrial tyrosyl-tRNA synthetase in complex with a tyrosyl-adenylate analog
分子名称: PHOSPHORIC ACID 2-AMINO-3-(4-HYDROXY-PHENYL)-PROPYL ESTER ADENOSIN-5'YL ESTER, TYROSYL-TRNA SYNTHETASE, MITOCHONDRIAL
著者Bonnefond, L, Frugier, M, Rudinger-Thirion, J, Balg, C, Chenevert, R, Lorber, B, Giege, R, Sauter, C.
登録日2011-08-11
公開日2011-11-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Exploiting Protein Engineering and Crystal Polymorphism for Successful X-Ray Structure Determination
Cryst.Growth Des., 11, 2011
6ML3
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BU of 6ml3 by Molmil
ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 2)
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*AP*GP*CP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*GP*CP*TP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ...
著者Horton, J.R, Cheng, X, Ren, R.
登録日2018-09-26
公開日2019-07-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.683 Å)
主引用文献Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
4RDD
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BU of 4rdd by Molmil
Co-crystal structure of SHP2 in complex with a Cefsulodin derivative
分子名称: 1-({(2R)-4-carboxy-2-[(R)-carboxy{[(2R)-2-phenyl-2-sulfoacetyl]amino}methyl]-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, Tyrosine-protein phosphatase non-receptor type 11
著者Zhang, Z.Y, Yu, Z.H, He, R, Zhang, R.Y.
登録日2014-09-18
公開日2015-07-01
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Exploring the Existing Drug Space for Novel pTyr Mimetic and SHP2 Inhibitors.
ACS Med Chem Lett, 6, 2015
6N4F
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BU of 6n4f by Molmil
The crystal structure of hemagglutinin from A/canine/IL/11613/2015 (H3N2) influenza virus.
分子名称: Hemagglutinin HA1, Hemagglutinin HA2
著者Yang, H, Stevesn, J.
登録日2018-11-19
公開日2019-01-30
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Assessment of Molecular, Antigenic, and Pathological Features of Canine Influenza A(H3N2) Viruses That Emerged in the United States.
J. Infect. Dis., 216, 2017
5MZ8
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BU of 5mz8 by Molmil
Crystal structure of aldehyde dehydrogenase 21 (ALDH21) from Physcomitrella patens in complex with the reaction product succinate
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Kopecny, D, Vigouroux, A, Briozzo, P, Morera, S.
登録日2017-01-31
公開日2017-08-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The ALDH21 gene found in lower plants and some vascular plants codes for a NADP(+) -dependent succinic semialdehyde dehydrogenase.
Plant J., 92, 2017
5MZ5
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Crystal structure of aldehyde dehydrogenase 21 (ALDH21) from Physcomitrella patens in its apoform
分子名称: 1,2-ETHANEDIOL, ALDH21), DI(HYDROXYETHYL)ETHER, ...
著者Kopecny, D, Koncitikova, R, Briozzo, P, Morera, S.
登録日2017-01-30
公開日2017-08-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The ALDH21 gene found in lower plants and some vascular plants codes for a NADP(+) -dependent succinic semialdehyde dehydrogenase.
Plant J., 92, 2017
5NN8
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Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with acarbose
分子名称: 1,2-ETHANEDIOL, 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, ...
著者Roig-Zamboni, V, Cobucci-Ponzano, B, Iacono, R, Ferrara, M.C, Germany, S, Parenti, G, Bourne, Y, Moracci, M.
登録日2017-04-08
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure of human lysosomal acid alpha-glucosidase-a guide for the treatment of Pompe disease.
Nat Commun, 8, 2017
5LQB
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Complex structure of human IL2 mutant, Proleukin, with Fab fragment of NARA1 antibody
分子名称: Interleukin-2, anti-hIL2 FAB fragment heavy chain, anti-hIL2 FAB fragment light chain
著者Zou, C, Wirth, E.
登録日2016-08-16
公開日2016-12-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Improved cancer immunotherapy by a CD25-mimobody conferring selectivity to human interleukin-2.
Sci Transl Med, 8, 2016
3ZLK
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Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
分子名称: CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-AMINO-1-BENZYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)BENZENESULFONAMIDE
著者Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H.
登録日2013-02-01
公開日2013-02-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4PL4
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Crystal structure of murine IRE1 in complex with OICR464 inhibitor
分子名称: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenol, ADENOSINE-5'-DIPHOSPHATE, ...
著者Sanches, M, Duffy, N, Talukdar, M, Thevakumaran, N, Chiovitti, D, Al-awar, R, Patterson, J.B, Sicheri, F.
登録日2014-05-16
公開日2014-09-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors.
Nat Commun, 5, 2014

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