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7LWF
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Crystal structure of the BCL6 BTB domain in complex with OICR-9320
分子名称: B-cell lymphoma 6 protein, GLYCEROL, N-(3-chloropyridin-4-yl)-2-[5-(3-cyano-4-hydroxyphenyl)-3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide
著者Kuntz, D.A, Prive, G.G.
登録日2021-03-01
公開日2022-03-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
7LZS
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Crystal structure of the BCL6 BTB domain in complex with OICR-11029
分子名称: 3-chloro-5-{7-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide, B-cell lymphoma 6 protein, DIMETHYL SULFOXIDE, ...
著者Kuntz, D.A, Prive, G.G.
登録日2021-03-10
公開日2022-03-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
6OF7
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BU of 6of7 by Molmil
Crystal structure of the CRY1-PER2 complex
分子名称: Cryptochrome-1, Period circadian protein homolog 2
著者Michael, A.K, Fribourgh, J.L, Tripathi, S.M, Partch, C.L.
登録日2019-03-28
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Dynamics at the serine loop underlie differential affinity of cryptochromes for CLOCK:BMAL1 to control circadian timing.
Elife, 9, 2020
4YWC
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BU of 4ywc by Molmil
Crystal structure of Myc3(5-242) fragment in complex with Jaz9(218-239) peptide
分子名称: Protein TIFY 7, Transcription factor MYC3
著者Ke, J, Zhang, F, Brunzelle, J.S, Xu, H.E, Melcher, K, He, S.Y.
登録日2015-03-20
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis of JAZ repression of MYC transcription factors in jasmonate signalling.
Nature, 525, 2015
5NYZ
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Twist and induce: Dissecting the link between the enzymatic activity and the SaPI inducing capacity of the phage 80 dUTPase. D95E mutant from dUTPase 80alpha phage.
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DUTPase, MAGNESIUM ION
著者Alite, C, Humphrey, S, Donderis, J, Maiques, E, Ciges-Tomas, J.R, Penades, J.R, Marina, A.
登録日2017-05-12
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Dissecting the link between the enzymatic activity and the SaPI inducing capacity of the phage 80 alpha dUTPase.
Sci Rep, 7, 2017
4RS9
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BU of 4rs9 by Molmil
Structure of Myc3 N-terminal JAZ-binding domain [44-238] in complex with Jas motif of JAZ9
分子名称: Protein TIFY 7, Transcription factor MYC3
著者Ke, J, Zhang, F, Zhou, X.E, Brunzelle, J.S, Zhou, M, Xu, H.E, Melcher, K, He, S.Y.
登録日2014-11-07
公開日2015-08-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis of JAZ repression of MYC transcription factors in jasmonate signalling.
Nature, 525, 2015
8SVD
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BU of 8svd by Molmil
Structure of M. baixiangningiae DarR-DNA complex reveals novel dimer-of-dimers DNA binding
分子名称: DNA (5'-D(P*TP*AP*GP*AP*TP*AP*CP*TP*CP*CP*GP*GP*AP*GP*TP*AP*TP*CP*TP*A)-3'), DarR
著者Schumacher, M.A.
登録日2023-05-16
公開日2023-11-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献Structures of the DarR transcription regulator reveal unique modes of second messenger and DNA binding.
Nat Commun, 14, 2023
8SSU
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ZnFs 3-11 of CCCTC-binding factor (CTCF) Complexed with 19mer DNA
分子名称: 1,2-ETHANEDIOL, DNA (19-MER) Strand I, DNA (19-MER) Strand II, ...
著者Horton, J.R, Yang, J, Cheng, X.
登録日2023-05-08
公開日2023-08-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structures of CTCF-DNA complexes including all 11 zinc fingers.
Nucleic Acids Res., 51, 2023
8SST
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ZnFs 1-7 of CCCTC-binding factor (CTCF) K365T Mutant Complexed with 23mer
分子名称: 1,2-ETHANEDIOL, DNA Strand (23mer) I, DNA Strand (23mer) II, ...
著者Horton, J.R, Yang, J, Cheng, X.
登録日2023-05-08
公開日2023-08-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structures of CTCF-DNA complexes including all 11 zinc fingers.
Nucleic Acids Res., 51, 2023
8SSS
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BU of 8sss by Molmil
ZnFs 1-7 of CCCTC-binding factor (CTCF) Complexed with 23mer
分子名称: 1,2-ETHANEDIOL, DNA Strand (23mer) I, DNA Strand (23mer) II, ...
著者Horton, J.R, Yang, J, Cheng, X.
登録日2023-05-08
公開日2023-08-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of CTCF-DNA complexes including all 11 zinc fingers.
Nucleic Acids Res., 51, 2023
8SSQ
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BU of 8ssq by Molmil
ZnFs 3-11 of CCCTC-binding factor (CTCF) Complexed with 35mer DNA 35-4
分子名称: DNA (35-MER) Strand 2, DNA (35-MER) Strand I, SODIUM ION, ...
著者Horton, J.R, Yang, J, Cheng, X.
登録日2023-05-08
公開日2023-08-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Structures of CTCF-DNA complexes including all 11 zinc fingers.
Nucleic Acids Res., 51, 2023
8SSR
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BU of 8ssr by Molmil
ZnFs 3-11 of CCCTC-binding factor (CTCF) Complexed with 35mer DNA 35-20
分子名称: DNA (35-MER) Strand I, DNA (35-MER) Strand II, SODIUM ION, ...
著者Horton, J.R, Yang, J, Cheng, X.
登録日2023-05-08
公開日2023-08-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Structures of CTCF-DNA complexes including all 11 zinc fingers.
Nucleic Acids Res., 51, 2023
7WQU
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BU of 7wqu by Molmil
FeoC from Klebsiella pneumoniae
分子名称: Ferrous iron transport protein B, Probable [Fe-S]-dependent transcriptional repressor
著者Hsueh, K.L, Yu, L.K, Hsieh, Y.C, Hsiao, Y.Y, Chen, C.J.
登録日2022-01-26
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (4.202 Å)
主引用文献FeoC from Klebsiella pneumoniae uses its iron sulfur cluster to regulate the GTPase activity of the ferrous iron channel.
Biochim Biophys Acta Proteins Proteom, 1871, 2023
7PWJ
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BU of 7pwj by Molmil
dUTPase from human in complex with Stl
分子名称: 1,2-ETHANEDIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial, ...
著者Sanz-Frasquet, C, Marina, A.
登録日2021-10-06
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.944 Å)
主引用文献The Bacteriophage-Phage-Inducible Chromosomal Island Arms Race Designs an Interkingdom Inhibitor of dUTPases.
Microbiol Spectr, 11, 2023
2VXF
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BU of 2vxf by Molmil
Solution structure of the LSm-domain of zebrafish RAP55
分子名称: LSM14A PROTEIN
著者Tritschler, F, Coles, M, Truffault, V.
登録日2008-07-03
公開日2008-09-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Similar modes of interaction enable Trailer Hitch and EDC3 to associate with DCP1 and Me31B in distinct protein complexes.
Mol. Cell. Biol., 28, 2008
8CAM
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BU of 8cam by Molmil
Evernimicin bound to the 50S subunit
分子名称: 23S rRNA, 50S ribosomal protein L15, 50S ribosomal protein L25, ...
著者Paternoga, H, Crowe-McAuliffe, C, Novacek, J, Wilson, D.N.
登録日2023-01-24
公開日2023-07-26
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (1.86 Å)
主引用文献Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
8CGV
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BU of 8cgv by Molmil
Tiamulin bound to the 50S subunit
分子名称: 23S rRNA, 50S ribosomal protein L15, 50S ribosomal protein L25, ...
著者Paternoga, H, Crowe-McAuliffe, C, Novacek, J, Wilson, D.N.
登録日2023-02-06
公開日2023-08-02
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (1.66 Å)
主引用文献Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
8CGK
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Lincomycin and Avilamycin bound to the 50S subunit
分子名称: (2R,3S,4R,6S)-4-hydroxy-6-{[(2R,3aR,4R,4'R,5'S,6S,6'R,7aR)-4'-hydroxy-6-{[(2S,3R,4R,5S,6R)-3-hydroxy-2-{[(2R,3S,4S,5S,6S)-4-hydroxy-6-({(2R,3aS,3a'R,6S,6'R,7R,7'R,7aR,7a'R)-7'-hydroxy-7'-[(1S)-1-hydroxyethyl]-6'-methyl-7-[(2-methylpropanoyl)oxy]octahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}oxy)-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl]oxy}-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name), 23S rRNA, 50S ribosomal protein L15, ...
著者Paternoga, H, Crowe-McAuliffe, C, Beckert, B, Wilson, D.N.
登録日2023-02-05
公開日2023-07-19
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (1.64 Å)
主引用文献Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
8CGD
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Clindamycin bound to the 50S subunit
分子名称: 23S rRNA, 50S ribosomal protein L15, 50S ribosomal protein L25, ...
著者Paternoga, H, Koller, T.O, Beckert, B, Wilson, D.N.
登録日2023-02-03
公開日2023-07-26
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (1.98 Å)
主引用文献Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
8CEU
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Retapamulin and Capreomycin bound to the 50S subunit
分子名称: 23S rRNA, 50S ribosomal protein L15, 50S ribosomal protein L25, ...
著者Paternoga, H, Beckert, B, Wilson, D.N.
登録日2023-02-02
公開日2023-07-26
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (1.83 Å)
主引用文献Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
4WWW
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BU of 4www by Molmil
Crystal structure of the E. coli ribosome bound to CEM-101
分子名称: (3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-1-{4-[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]butyl}-4-ethyl-7-fluoro-11-methoxy-3a ,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside, 16S rRNA, 23S rRNA, ...
著者Dunkle, J.A, Zhang, W, Cate, J.H.D, Mankin, A.S.
登録日2014-11-12
公開日2014-12-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Binding and action of CEM-101, a new fluoroketolide antibiotic that inhibits protein synthesis.
Antimicrob. Agents Chemother., 54, 2010
4UV9
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LSD1(KDM1A)-CoREST in complex with 1-Ethyl-Tranylcypromine
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-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS,10aS)-4a-[(1S,3E)-3-imino-1-phenylpentyl]-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate
著者Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C.
登録日2014-08-05
公開日2014-09-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
4UVB
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LSD1(KDM1A)-CoREST in complex with 1-Methyl-Tranylcypromine (1S,2R)
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-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,7aS)-1-amino-1,10,11-trimethyl-4,6-dioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
著者Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C.
登録日2014-08-05
公開日2014-09-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
4UXN
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LSD1(KDM1A)-CoREST in complex with Z-Pro derivative of MC2580
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, ...
著者Rodriguez, V, Valente, S, Stazi, G, Lucidi, A, Mercurio, C, Vianello, P, Ciossani, G, Mattevi, A, Botrugno, O.A, Dessanti, P, Minucci, S, Varasi, M, Mai, A.
登録日2014-08-27
公開日2015-02-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Pyrrole- and Indole-Containing Tranylcypromine Derivatives as Novel Lysine-Specific Demethylase 1 Inhibitors Active on Cancer Cells
Chemmedchem, 6, 2015
4UVC
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LSD1(KDM1A)-CoREST in complex with 1-Phenyl-Tranylcypromine
分子名称: LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[5-[(1S)-1-azanyl-1,3-diphenyl-propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-4aH-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
著者Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C.
登録日2014-08-05
公開日2014-09-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014

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