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PDB: 53012 件

6XAH
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Structure of a Stable Interstrand DNA Crosslink Involving an dA Amino Group and an Abasic Site
分子名称: DNA (5'-D(*TP*AP*GP*AP*TP*GP*AP*AP*CP*(AAB)P*TP*AP*GP*AP*CP*AP*TP*A)-3'), DNA (5'-D(*TP*AP*TP*GP*TP*CP*TP*AP*AP*GP*TP*TP*CP*AP*TP*CP*TP*A)-3')
著者Kellum Jr, A.H, Qiu, D, Voehler, M.W, Martin, W.J, Gates, K.S, Stone, M.P.
登録日2020-06-04
公開日2021-05-05
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure of a Stable Interstrand DNA Cross-Link Involving a beta- N -Glycosyl Linkage Between an N 6 -dA Amino Group and an Abasic Site.
Biochemistry, 60, 2021
7JVD
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BU of 7jvd by Molmil
Fab of 5.6 monoclonal mouse IgG1 co-crystallized with the trisaccharide form of serotype 3 pneumococcal capsular polysaccharide
分子名称: 5.6 Fab heavy chain, 5.6 Fab light chain, beta-D-glucopyranose-(1-3)-beta-D-glucopyranuronic acid-(1-4)-beta-D-glucopyranose
著者Ozdilek, A, Huang, J, Paschall, A.V, Babb, R, Middleton, D.R, Duke, J.A, Pirofski, L, Mousa, J.J, Avci, F.Y.
登録日2020-08-20
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A Structural Model for the Ligand Binding of Pneumococcal Serotype 3 Capsular Polysaccharide-Specific Protective Antibodies.
Mbio, 12, 2021
6RJN
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Crystal structure of a Fungal Catalase at 2.3 Angstroms
分子名称: CHLORIDE ION, Catalase, DI(HYDROXYETHYL)ETHER, ...
著者Gomez, S, Navas-Yuste, S, Payne, A.M, Rivera, W, Lopez-Estepa, M, Brangbour, C, Fulla, D, Juanhuix, J, Fernandez, F.J, Vega, M.C.
登録日2019-04-28
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.295 Å)
主引用文献Peroxisomal catalases from the yeasts Pichia pastoris and Kluyveromyces lactis as models for oxidative damage in higher eukaryotes.
Free Radic. Biol. Med., 141, 2019
6V7B
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BU of 6v7b by Molmil
Cryo-EM reconstruction of Pyrobaculum filamentous virus 2 (PFV2)
分子名称: A-DNA, Structural protein VP1, Structural protein VP2
著者Wang, F, Baquero, D.P, Su, Z, Prangishvili, D, Krupovic, M, Egelman, E.H.
登録日2019-12-08
公開日2020-04-01
最終更新日2020-05-20
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure of a filamentous virus uncovers familial ties within the archaeal virosphere.
Virus Evol, 6, 2020
5LJN
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Structure of the HOIP PUB domain bound to SPATA2 PIM peptide
分子名称: E3 ubiquitin-protein ligase RNF31, GLYCEROL, SULFATE ION, ...
著者Elliott, P.R, Komander, D.
登録日2016-07-18
公開日2016-08-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献SPATA2 Links CYLD to LUBAC, Activates CYLD, and Controls LUBAC Signaling.
Mol.Cell, 63, 2016
6FF7
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BU of 6ff7 by Molmil
human Bact spliceosome core structure
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-DIPHOSPHATE, BUD13 homolog, ...
著者Haselbach, D, Komarov, I, Agafonov, D, Hartmuth, K, Graf, B, Kastner, B, Luehrmann, R, Stark, H.
登録日2018-01-03
公開日2019-03-13
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structure and Conformational Dynamics of the Human Spliceosomal BactComplex.
Cell, 172, 2018
4XAS
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BU of 4xas by Molmil
mGluR2 ECD ligand complex
分子名称: (1R,4S,5S,6S)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-dicarboxylic acid, Metabotropic glutamate receptor 2
著者Clawson, D.K.
登録日2014-12-15
公開日2015-02-04
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015
6OI2
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Crystal structure of human WDR5 in complex with symmetric dimethyl-L-arginine
分子名称: GLYCEROL, N3, N4-DIMETHYLARGININE, ...
著者Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D.
登録日2019-04-08
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5.
Biochemistry, 59, 2020
7NHG
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BU of 7nhg by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound ASI_M3M_041
分子名称: ACETATE ION, N-[[(3R)-3-Hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-02-10
公開日2021-10-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7NIA
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Crystal structure of the human METTL3-METTL14 complex with compound UOZ059a
分子名称: 4-[[(3R)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-N-[[(3R)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-02-11
公開日2021-10-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7NI9
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BU of 7ni9 by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ058
分子名称: ACETATE ION, N-(((R)-1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-(((S)-1-isopropyl-2-azaspiro[3.3]heptan-2-yl)methyl)benzamide, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-02-11
公開日2021-10-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7NHV
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Crystal structure of the human METTL3-METTL14 complex with compound UOZ016
分子名称: (R)-N-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-((4,4-dimethylpiperidin-1-yl)methyl)benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-02-11
公開日2021-10-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7AMD
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BU of 7amd by Molmil
In situ assembly of choline acetyltransferase ligands by a hydrothiolation reaction reveals key determinants for inhibitor design
分子名称: Choline O-acetyltransferase, SODIUM ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-2,2-dimethyl-4-[[3-[2-[(1~{R})-2-(1-methylpyridin-4-yl)-1-naphthalen-1-yl-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
著者Allgardsson, A, Ekstrom, F.J, Wiktelius, D, Bergstrom, T, Hoster, N, Akfur, C, Forsgren, N, Lejon, C, Hedenstrom, M, Linusson, A.
登録日2020-10-08
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献In Situ Assembly of Choline Acetyltransferase Ligands by a Hydrothiolation Reaction Reveals Key Determinants for Inhibitor Design.
Angew.Chem.Int.Ed.Engl., 60, 2021
5J5R
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BU of 5j5r by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor VCC234718
分子名称: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, cyclohexyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone
著者Pacitto, A, Ascher, D.B, Blundell, T.L.
登録日2016-04-03
公開日2016-10-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Inosine Monophosphate Dehydrogenase, GuaB2, Is a Vulnerable New Bactericidal Drug Target for Tuberculosis.
ACS Infect Dis, 3, 2017
7NHH
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BU of 7nhh by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ002
分子名称: (R)-N-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide, ACETATE ION, MAGNESIUM ION, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-02-10
公開日2021-10-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7NI7
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Crystal structure of the human METTL3-METTL14 complex with compound UOZ031
分子名称: (R)-4-((4,4-dimethylpiperidin-1-yl)methyl)-2-hydroxy-N-((3-hydroxy-1-(6-((3-(methylcarbamoyl)benzyl)amino)pyrimidin-4-yl)piperidin-3-yl)methyl)benzamide, ACETATE ION, MAGNESIUM ION, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-02-11
公開日2021-10-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7NID
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Crystal structure of the human METTL3-METTL14 complex with compound UOZ078
分子名称: (R)-1-(6-(benzylamino)pyrimidin-4-yl)-3-(((6-((4,4-dimethylpiperidin-1-yl)methyl)naphthalen-1-yl)amino)methyl)piperidin-3-ol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-02-11
公開日2021-10-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7NHJ
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Crystal structure of the human METTL3-METTL14 complex with compound DHU_M3M_154
分子名称: (S)-3-(((6-(3-(hydroxymethyl)piperidin-1-yl)pyrimidin-4-yl)amino)methyl)benzenesulfonamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-02-10
公開日2021-10-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
6OLG
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BU of 6olg by Molmil
Human ribosome nascent chain complex stalled by a drug-like small molecule (CDH1_RNC with PP tRNA)
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
著者Li, W, Cate, J.H.D.
登録日2019-04-16
公開日2019-06-19
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis for selective stalling of human ribosome nascent chain complexes by a drug-like molecule.
Nat.Struct.Mol.Biol., 26, 2019
8C6O
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BU of 8c6o by Molmil
Crystal Structure of H64F obelin mutant from Obelia longissima at 2.2 Angstrom resolution
分子名称: C2-HYDROPEROXY-COELENTERAZINE, Obelin, SODIUM ION
著者Natashin, P.V, Burakova, L.P, Kovaleva, M.I, Schevtsov, M.B, Dmitrieva, D.A, Eremeeva, E.V, Markova, S.V, Mishin, A.V, Borshchevskiy, V.I, Vysotski, E.S.
登録日2023-01-12
公開日2023-03-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Role of Tyr-His-Trp Triad and Water Molecule Near the N1-Atom of 2-Hydroperoxycoelenterazine in Bioluminescence of Hydromedusan Photoproteins: Structural and Mutagenesis Study.
Int J Mol Sci, 24, 2023
7NI8
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BU of 7ni8 by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ040a
分子名称: (R)-4-((2-azaspiro[3.3]heptan-2-yl)methyl)-N-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-02-11
公開日2021-10-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
8EQ1
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BU of 8eq1 by Molmil
Escherichia coli pyruvate kinase D127N
分子名称: Pyruvate kinase, SULFATE ION
著者Donovan, K.A, Coombes, D, Dobson, R.C.J, Cooper, T.F.
登録日2022-10-07
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Beneficial mutations occurring in E. coli pyruvate kinase afford new allosteric mechanisms leading to faster resumption of growth
To Be Published
6EXR
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BU of 6exr by Molmil
CHEMOTAXIS PROTEIN CHEY FROM Pyrococcus horikoshiI
分子名称: 120aa long hypothetical chemotaxis protein (CheY)
著者Paithankar, K.S, Enderle, M.E, Wirthensohn, D, Grininger, M, Oesterhelt, D.
登録日2017-11-09
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structure of the archaeal chemotaxis protein CheY in a domain-swapped dimeric conformation.
Acta Crystallogr.,Sect.F, 75, 2019
6VGY
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BU of 6vgy by Molmil
2.05 A resolution structure of MERS 3CL protease in complex with inhibitor 6b
分子名称: N~2~-{[(trans-4-ethylcyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, Orf1a protein
著者Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C.
登録日2020-01-09
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
6EZM
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Imidazoleglycerol-phosphate dehydratase from Saccharomyces cerevisiae
分子名称: Imidazoleglycerol-phosphate dehydratase, MANGANESE (II) ION, [(2R)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid
著者Rawson, S, Bisson, C, Hurdiss, D.L, Muench, S.P.
登録日2017-11-15
公開日2018-02-07
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Elucidating the structural basis for differing enzyme inhibitor potency by cryo-EM.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

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