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5ONI
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LOW-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR 4P
分子名称: 1,4-BUTANEDIOL, 4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, ...
著者Hochscherf, J, Lindenblatt, D, Witulski, B, Birus, R, Aichele, D, Marminon, C, Bouaziz, Z, Le Borgne, M, Jose, J, Niefind, K.
登録日2017-08-03
公開日2017-12-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Unexpected Binding Mode of a Potent Indeno[1,2-b]indole-Type Inhibitor of Protein Kinase CK2 Revealed by Complex Structures with the Catalytic Subunit CK2 alpha and Its Paralog CK2 alpha '.
Pharmaceuticals (Basel), 10, 2017
6V0L
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PDGFR-b Promoter Forms a G-Vacancy Quadruplex that Can be Complemented by dGMP: Molecular Structure and Recognition of Guanine Derivatives and Metabolites
分子名称: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, DNA (5'-D(*(3D1)P*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*GP*CP*GP*GP*GP*AP*CP*A)-3')
著者Wang, K.B, Dickerhoff, J, Wu, G, Yang, D.
登録日2019-11-18
公開日2020-03-11
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献PDGFR-beta Promoter Forms a Vacancy G-Quadruplex that Can Be Filled in by dGMP: Solution Structure and Molecular Recognition of Guanine Metabolites and Drugs.
J.Am.Chem.Soc., 142, 2020
1BJA
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ACTIVATION DOMAIN OF THE PHAGE T4 TRANSCRIPTION FACTOR MOTA
分子名称: SULFATE ION, TRANSCRIPTION REGULATORY PROTEIN MOTA
著者Finnin, M.S, Cicero, M.P, Davies, C, Porter, S.J, White, S.W, Kreuzer, K.N.
登録日1998-06-23
公開日1998-11-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献The activation domain of the MotA transcription factor from bacteriophage T4.
EMBO J., 16, 1997
4H22
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BU of 4h22 by Molmil
Crystal structure of the dimeric coiled-coil domain of the cytosolic nucleic acid sensor LRRFIP1
分子名称: Leucine-rich repeat flightless-interacting protein 1
著者Nguyen, J.B, Modis, Y.
登録日2012-09-11
公開日2012-11-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Crystal structure of the dimeric coiled-coil domain of the cytosolic nucleic acid sensor LRRFIP1.
J.Struct.Biol., 181, 2013
8FVI
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Human APOBEC3H bound to HIV-1 Vif in complex with CBF-beta, ELOB, ELOC, and CUL5
分子名称: Core-binding factor subunit beta, Cullin 5, DNA dC->dU-editing enzyme APOBEC-3H, ...
著者Ito, F, Alvarez-Cabrera, A.L, Zhou, Z.H, Chen, X.S.
登録日2023-01-19
公開日2023-09-06
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Structural basis of HIV-1 Vif-mediated E3 ligase targeting of host APOBEC3H.
Nat Commun, 14, 2023
6TGT
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BU of 6tgt by Molmil
The Calcium soaked crystal structure of the DPS2 from DEINOCOCCUS RADIODURANS to 2.16A resolution (Soaked in CaCl2 [5mM] for 20 min).
分子名称: CALCIUM ION, DNA protection during starvation protein 2, FE (III) ION
著者Cuypers, M.G, Romao, C.V, Mitchell, E.P, McSweeney, S.
登録日2019-11-18
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.155 Å)
主引用文献The Calcium soaked crystal structure of the DPS2 from DEINOCOCCUS RADIODURANS to 2.16A resolution (Soaked in CaCl2 [5mM] for 20 min).
To Be Published
7OUF
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BU of 7ouf by Molmil
Structure of the STLV intasome:B56 complex bound to the strand-transfer inhibitor XZ450
分子名称: 4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), ...
著者Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N.
登録日2021-06-11
公開日2021-08-18
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures.
Nat Commun, 12, 2021
3JVS
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BU of 3jvs by Molmil
Characterization of the Chk1 allosteric inhibitor binding site
分子名称: 2-[(4-tert-butyl-3-nitrophenyl)carbonyl]-N-naphthalen-1-ylhydrazinecarboxamide, Serine/threonine-protein kinase Chk1
著者Chen, P.
登録日2009-09-17
公開日2009-10-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterization of the CHK1 allosteric inhibitor binding site.
Biochemistry, 48, 2009
3JVR
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BU of 3jvr by Molmil
Characterization of the Chk1 allosteric inhibitor binding site
分子名称: (1S)-1-(1H-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate, Serine/threonine-protein kinase Chk1
著者Chen, P.
登録日2009-09-17
公開日2009-10-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Characterization of the CHK1 allosteric inhibitor binding site.
Biochemistry, 48, 2009
8RZB
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BU of 8rzb by Molmil
IL-1beta in complex with covalent DEL hit
分子名称: 8-[4-methyl-3-(trifluoromethyl)phenyl]-2-[[(7S)-7-(2-morpholin-4-ylethylcarbamoyl)-4-(phenylsulfonyl)-1,4-diazepan-1-yl]carbonyl]imidazo[1,2-a]pyridine-6-carboxylic acid, Interleukin-1 beta
著者Rondeau, J.-M, Lehmann, S.
登録日2024-02-12
公開日2024-05-22
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.836 Å)
主引用文献Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
1AO2
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BU of 1ao2 by Molmil
cobalt(III)-deglycopepleomycin determined by NMR studies
分子名称: AGLYCON OF PEPLOMYCIN, COBALT (III) ION, HYDROGEN PEROXIDE
著者Caceres-Cortes, J, Sugiyama, H, Ikudome, K, Saito, I, Wang, A.H.-J.
登録日1997-07-16
公開日1999-07-30
最終更新日2024-03-13
実験手法SOLUTION NMR
主引用文献Structures of cobalt(III)-pepleomycin and cobalt(III)-deglycopepleomycin (green forms) determined by NMR studies.
Eur.J.Biochem., 244, 1997
8GRM
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BU of 8grm by Molmil
Cryo-EM structure of PRC1 bound to H2AK119-UbcH5b-Ub nucleosome
分子名称: COMMD3 protein, DNA (144-MER), DNA (145-MER), ...
著者Ai, H.S, Zebin, T, Zhihend, D, Jiakun, T, Liying, Z, Jia-Bin, L, Man, P, Liu, L.
登録日2022-09-02
公開日2023-04-12
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Synthetic E2-Ub-nucleosome conjugates for studying nucleosome ubiquitination.
Chem, 2023
8GJ5
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BU of 8gj5 by Molmil
fungal pcna and peptidomimetic
分子名称: Proliferating cell nuclear antigen, THR-ASP-ILE-ARG-ASN-PHE-PHE-HIS-SER
著者Vandborg, B, Bruning, J.B.
登録日2023-03-14
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Towards a High-Affinity Peptidomimetic Targeting Proliferating Cell Nuclear Antigen from Aspergillus fumigatus.
J Fungi, 9, 2023
1KXS
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BU of 1kxs by Molmil
NMR STUDY OF B-DNA CONTAINING A MODIFIED BASE PAIR: THE 2'-DEOXYADENOSINE 3-(2-HYDROXYETHYL-2'-DEOXYURIDINE)
分子名称: 5'-D(*CP*GP*TP*TP*TP*TP*AP*GP*AP*CP*TP*TP*GP*C)-3', 5'-D(*GP*CP*AP*AP*GP*TP*CP*(HEU)P*AP*AP*AP*AP*CP*G)-3'
著者Boulard, Y, Fazakerley, G.V, Sowers, L.C.
登録日2002-02-01
公開日2002-03-06
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The solution structure of an oligonucleotide duplex containing a 2'-deoxyadenosine-3-(2-hydroxyethyl)- 2'-deoxyuridine base pair determined by NMR and molecular dynamics studies.
Nucleic Acids Res., 30, 2002
6RVS
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BU of 6rvs by Molmil
Atomic structure of the Epstein-Barr portal, structure II
分子名称: Portal protein
著者Machon, C, Fabrega-Ferrer, M, Zhou, D, Cuervo, A, Carrascosa, J.L, Stuart, D.I, Coll, M.
登録日2019-05-31
公開日2019-09-18
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献Atomic structure of the Epstein-Barr virus portal.
Nat Commun, 10, 2019
5WH1
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BU of 5wh1 by Molmil
Apo form of the C-terminal region of human Transcription Factor IIB
分子名称: SULFATE ION, Transcription initiation factor IIB
著者Bratkowski, M.A, Liu, X.
登録日2017-07-14
公開日2017-11-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.39 Å)
主引用文献Structural dissection of an interaction between transcription initiation and termination factors implicated in promoter-terminator cross-talk.
J. Biol. Chem., 293, 2018
1AO4
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COBALT(III)-PEPLOMYCIN COMPLEX DETERMINED BY NMR STUDIES
分子名称: 3-O-carbamoyl-alpha-D-mannopyranose-(1-2)-alpha-L-gulopyranose, AGLYCON OF PEPLOMYCIN, COBALT (III) ION, ...
著者Caceres-Cortes, J, Sugiyama, H, Ikudome, K, Saito, I, Wang, A.H.-J.
登録日1997-07-16
公開日1999-07-30
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Structures of cobalt(III)-pepleomycin and cobalt(III)-deglycopepleomycin (green forms) determined by NMR studies.
Eur.J.Biochem., 244, 1997
3ABU
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BU of 3abu by Molmil
Crystal Structure of LSD1 in complex with a 2-PCPA derivative, S1201
分子名称: Lysine-specific histone demethylase 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(1R,3R,3aS)-3-[2-(benzyloxy)-3-fluorophenyl]-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
著者Mimasu, S, Umezawa, N, Sato, S, Higuchi, T, Umehara, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2009-12-21
公開日2010-07-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structurally Designed trans-2-Phenylcyclopropylamine Derivatives Potently Inhibit Histone Demethylase LSD1/KDM1
Biochemistry, 49, 2010
3ABT
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Crystal Structure of LSD1 in complex with trans-2-pentafluorophenylcyclopropylamine
分子名称: Lysine-specific histone demethylase 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-[(1R,3R,3aS)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-(pentafluorophenyl)-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate
著者Mimasu, S, Umezawa, N, Sato, S, Higuchi, T, Umehara, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2009-12-21
公開日2010-07-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structurally Designed trans-2-Phenylcyclopropylamine Derivatives Potently Inhibit Histone Demethylase LSD1/KDM1
Biochemistry, 49, 2010
4Z1V
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Structure of Factor Inhibiting HIF (FIH) in complex with Fe, NO, and NOG
分子名称: DI(HYDROXYETHYL)ETHER, FE (III) ION, Hypoxia-inducible factor 1-alpha inhibitor, ...
著者Taabazuing, C.Y, Garman, S.C, Knapp, M.J.
登録日2015-03-27
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Substrate Promotes Productive Gas Binding in the alpha-Ketoglutarate-Dependent Oxygenase FIH.
Biochemistry, 55, 2016
6H2X
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MukB coiled-coil elbow from E. coli
分子名称: Chromosome partition protein MukB,Chromosome partition protein MukB
著者Buermann, F, Lowe, J.
登録日2018-07-16
公開日2019-03-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A folded conformation of MukBEF and cohesin.
Nat.Struct.Mol.Biol., 26, 2019
4N06
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Crystal structure of Cas1 from Archaeoglobus fulgidus and its nucleolytic activity
分子名称: CRISPR-associated endonuclease Cas1 1
著者Kim, T.Y, Shin, M, Yen, L.H.T, Kim, J.S.
登録日2013-10-01
公開日2014-01-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of Cas1 from Archaeoglobus fulgidus and characterization of its nucleolytic activity
Biochem.Biophys.Res.Commun., 441, 2013
2W9R
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BU of 2w9r by Molmil
Structural basis of N-end rule substrate recognition in Escherichia coli by the ClpAP adaptor protein ClpS
分子名称: ATP-DEPENDENT CLP PROTEASE ADAPTER PROTEIN CLPS, DNA PROTECTION DURING STARVATION PROTEIN
著者Schuenemann, V, Kralik, S.M, Albrecht, R, Spall, S.K, Truscott, K.N, Dougan, D.A, Zeth, K.
登録日2009-01-28
公開日2009-04-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis of N-End Rule Substrate Recognition in Escherichia Coli by the Clpap Adaptor Protein Clps.
Embo Rep., 10, 2009
3WKJ
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The nucleosome containing human TSH2B
分子名称: CHLORIDE ION, DNA (145-MER), Histone H2A type 1-B/E, ...
著者Urahama, T, Horikoshi, N, Osakabe, A, Tachiwana, H, Kurumizaka, H.
登録日2013-10-22
公開日2014-04-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of human nucleosome containing the testis-specific histone variant TSH2B.
Acta Crystallogr.,Sect.F, 70, 2014
5D7U
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Crystal structure of the C-terminal domain of MMTV integrase
分子名称: ISOPROPYL ALCOHOL, Pr160
著者Cook, N.J, Pye, V.E, Ballandras-Colas, A, Engelman, A, Cherepanov, P.
登録日2015-08-14
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Cryo-EM reveals a novel octameric integrase structure for betaretroviral intasome function.
Nature, 530, 2016

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