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5AB9
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Structure of the p53 cancer mutant Y220C with bound small molecule 7- ethyl-3-(piperidin-4-yl)-1H-indole
分子名称: 7-ethyl-3-(piperidin-4-yl)-1H-indole, CELLULAR TUMOR ANTIGEN P53, DI(HYDROXYETHYL)ETHER, ...
著者Joerger, A.C.
登録日2015-08-04
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53.
Structure, 23, 2015
5A7B
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Structure of the p53 cancer Y220C bound to the stabilizing small molecule PhiKan5211
分子名称: 2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-ethynyl-4-(3-phenoxyprop-1-ynyl)phenol, CELLULAR TUMOR ANTIGEN P53, ZINC ION
著者Joerger, A.C.
登録日2015-07-03
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Experimental and Theoretical Evaluation of the Ethynyl Moiety as a Halogen Bioisostere.
Acs Chem.Biol., 10, 2015
3LEV
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HIV-1 antibody 2F5 in complex with epitope scaffold ES2
分子名称: 2F5 ANTIBODY HEAVY CHAIN, 2F5 ANTIBODY LIGHT CHAIN, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Ofek, G, Guenaga, F.J, Schief, W.R, Skinner, J, Baker, D, Wyatt, R, Kwong, P.D.
登録日2010-01-15
公開日2010-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Elicitation of structure-specific antibodies by epitope scaffolds.
Proc.Natl.Acad.Sci.USA, 107, 2010
3LES
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2F5 Epitope scaffold ES2
分子名称: RNA polymerase sigma factor, SULFATE ION
著者Ofek, G, Guenaga, F.J, Schief, W.R, Skinner, J, Wyatt, R, Baker, D, Kwong, P.D.
登録日2010-01-15
公開日2010-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Elicitation of structure-specific antibodies by epitope scaffolds.
Proc.Natl.Acad.Sci.USA, 107, 2010
8WD2
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The Crystal Structure of p53 from Biortus.
分子名称: 1,2-ETHANEDIOL, Cellular tumor antigen p53, PHOSPHATE ION, ...
著者Wang, F, Cheng, W, Yuan, Z, Qi, J, Lu, Y.
登録日2023-09-14
公開日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Crystal Structure of p53 from Biortus.
To Be Published
7Q2J
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Quaternary Complex of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC Homer
分子名称: Elongin-B, Elongin-C, N-[5-[4-[[5-[[(2S)-3,3-dimethyl-1-[(2S,4R)-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide, ...
著者Kraemer, A, Doelle, A, Schwalm, M.P, Adhikari, B, Wolf, E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-10-25
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization.
Cell Chem Biol, 30, 2023
7PNM
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Human coronavirus OC43 spike glycoprotein ectodomain in complex with the 46C12 antibody Fab fragment
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, 46C12 antibody heavy chain, ...
著者Hurdiss, D.L.
登録日2021-09-07
公開日2022-04-20
最終更新日2022-11-09
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Antigenic structure of the human coronavirus OC43 spike reveals exposed and occluded neutralizing epitopes.
Nat Commun, 13, 2022
7PO5
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Human coronavirus OC43 spike glycoprotein ectodomain in complex with the 47C9 antibody Fab fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 47C9 antibody heavy chain, 47C9 antibody light chain, ...
著者Hurdiss, D.L.
登録日2021-09-08
公開日2022-04-20
最終更新日2022-11-09
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Antigenic structure of the human coronavirus OC43 spike reveals exposed and occluded neutralizing epitopes.
Nat Commun, 13, 2022
7PNQ
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Human coronavirus OC43 spike glycoprotein ectodomain in complex with the 43E6 antibody Fab fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 43E6 antibody heavy chain, 43E6 antibody light chain, ...
著者Hurdiss, D.L.
登録日2021-09-07
公開日2022-04-20
最終更新日2022-11-09
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Antigenic structure of the human coronavirus OC43 spike reveals exposed and occluded neutralizing epitopes.
Nat Commun, 13, 2022
3FK7
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BU of 3fk7 by Molmil
Crystal structure of TetR triple mutant (H64K, S135L, S138I) in complex with 4-ddma-atc
分子名称: (4aS,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide, MAGNESIUM ION, Tetracycline repressor protein class B from transposon Tn10, ...
著者Klieber, M.A, Scholz, O, Lochner, S, Gmeiner, P, Hillen, W, Muller, Y.A.
登録日2008-12-16
公開日2009-11-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural origins for selectivity and specificity in an engineered bacterial repressor-inducer pair.
Febs J., 276, 2009
8F30
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LSD1-CoREST in complex with AW2, long soaking
分子名称: Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-{5-[3-([1,1'-biphenyl]-4-yl)propanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
著者Caroli, J, Mattevi, A.
登録日2022-11-09
公開日2024-06-12
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
8F6S
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LSD1-CoREST in complex with T105
分子名称: 3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide, Lysine-specific histone demethylase 1A, REST corepressor 1, ...
著者Caroli, J, Mattevi, A.
登録日2022-11-17
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
8F2Z
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LSD1-CoREST in complex with AW2, short soaking
分子名称: Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,13R)-3-([1,1'-biphenyl]-4-yl)-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
著者Caroli, J, Mattevi, A.
登録日2022-11-09
公開日2024-06-12
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
8F59
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LSD1-CoREST in complex with AW2 and SNAG peptide
分子名称: Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ...
著者Caroli, J, Mattevi, A.
登録日2022-11-12
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
8QU3
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BU of 8qu3 by Molmil
NF-YB/C Heterodimer in Complex with a 13-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Nuclear transcription factor Y subunit alpha, ...
著者Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S.
登録日2023-10-13
公開日2024-03-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y.
Chembiochem, 25, 2024
8QU2
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NF-YB/C Heterodimer in Complex with a 16-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, ...
著者Durukan, C, Arbore, F, Klintrot, C.I.R, Grossmann, T.N, Hennig, S.
登録日2023-10-13
公開日2024-03-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y.
Chembiochem, 25, 2024
8QU4
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NF-YB/C Heterodimer in Complex with a 13-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker in an alternative binding pose
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nuclear transcription factor Y subunit alpha, ...
著者Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S.
登録日2023-10-13
公開日2024-03-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y.
Chembiochem, 25, 2024
7QB2
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Pim1 in complex with (E)-4-((6-amino-1-methyl-2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide
分子名称: 4-[(E)-(6-azanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Pimtide, ...
著者Hochban, P.M.M, Heine, A, Diederich, W.E.
登録日2021-11-18
公開日2022-11-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.
Eur.J.Med.Chem., 245, 2023
7KSO
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Cryo-EM structure of PRC2:EZH1-AEBP2-JARID2
分子名称: Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH1, Polycomb protein EED, ...
著者Grau, D.J, Armache, K.J.
登録日2020-11-23
公開日2021-02-03
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structures of monomeric and dimeric PRC2:EZH1 reveal flexible modules involved in chromatin compaction.
Nat Commun, 12, 2021
7KSR
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PRC2:EZH1_A from a dimeric PRC2 bound to a nucleosome
分子名称: Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH1, Polycomb protein EED, ...
著者Grau, D.J, Armache, K.J.
登録日2020-11-24
公開日2021-02-03
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structures of monomeric and dimeric PRC2:EZH1 reveal flexible modules involved in chromatin compaction.
Nat Commun, 12, 2021
7KTP
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PRC2:EZH1_B from a dimeric PRC2 bound to a nucleosome
分子名称: Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH1, Polycomb protein EED, ...
著者Grau, D.J, Armache, K.J.
登録日2020-11-24
公開日2021-02-03
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Structures of monomeric and dimeric PRC2:EZH1 reveal flexible modules involved in chromatin compaction.
Nat Commun, 12, 2021
2OQQ
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Crystal structure of HY5 leucine zipper homodimer from Arabidopsis thaliana
分子名称: Transcription factor HY5
著者Yoon, M.-K, Kim, H.M, Choi, G, Lee, J.-O, Choi, B.-S.
登録日2007-02-01
公開日2007-03-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the conformational integrity of the Arabidopsis thaliana HY5 leucine zipper homodimer.
J.Biol.Chem., 282, 2007
4M3F
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BU of 4m3f by Molmil
Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches
分子名称: HTH-type transcriptional regulator EthR, N-(3-methylbutyl)-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
著者Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N.
登録日2013-08-06
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches.
J.Med.Chem., 57, 2014
8D4X
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Structure of the human UBR5 HECT-type E3 ubiquitin ligase in a dimeric form
分子名称: E3 ubiquitin-protein ligase UBR5, ZINC ION
著者Wang, F, He, Q, Lin, G, Li, H.
登録日2022-06-02
公開日2023-04-19
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structure of the human UBR5 E3 ubiquitin ligase.
Structure, 31, 2023
2K40
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NMR structure of HESX-1 homeodomain double mutant R31L/E42L
分子名称: Homeobox expressed in ES cells 1
著者Asensio, J, Torrado, M, Gonzalez, C, Bastida, A.
登録日2008-05-26
公開日2009-05-05
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献The role of conserved salt-bridges on homeodomain stability
To be Published

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