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4V60
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The structure of rat liver vault at 3.5 angstrom resolution
分子名称: Major vault protein
著者Kato, K, Zhou, Y, Tanaka, H, Yao, M, Yamashita, E, Yoshimura, M, Tsukihara, T.
登録日2008-10-24
公開日2014-07-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The structure of rat liver vault at 3.5 angstrom resolution
Science, 323, 2009
4UZD
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BU of 4uzd by Molmil
SAR156497 an exquisitely selective inhibitor of Aurora kinases
分子名称: AURORA KINASE A, ethyl (9S)-9-[3-(1H-benzimidazol-2-yloxy)phenyl]-8-oxo-4,5,6,7,8,9-hexahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate
著者Pouzieux, S, Delarbre, L, Crenne, J.Y.
登録日2014-09-05
公開日2014-11-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Sar156497 an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
4WIV
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Crystal Structure of the first bromodomain of human BRD4 in complex with a novel inhibitor UMB32 (N-TERT-BUTYL-2-[4-(3,5-DIMETHYL-1,2-OXAZOL-4-YL) PHENYL]IMIDAZO[1,2-A]PYRAZIN-3-AMINE)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ...
著者Xu, X, Blacklow, S.
登録日2014-09-26
公開日2014-10-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Biased multicomponent reactions to develop novel bromodomain inhibitors.
J.Med.Chem., 57, 2014
4WHW
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BU of 4whw by Molmil
Direct photocapture of bromodomains using tropolone chemical probes
分子名称: 1,2-ETHANEDIOL, 2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one, Bromodomain-containing protein 4
著者Hett, E.C, Piatnitski Chekler, E.L, Basak, A, Bonin, P.D, Denny, R.A, Flick, A.C, Geoghegan, K.F, Liu, S, Pletcher, M.T, Robinson, R.P, Sahasrabudhe, P, Salter, S, Stock, I.A, Jones, L.H.
登録日2014-09-23
公開日2015-10-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.345 Å)
主引用文献Direct photocapture of bromodomains using tropolone chemical probes
To Be Published
2RRA
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BU of 2rra by Molmil
Solution structure of RNA binding domain in human Tra2 beta protein in complex with RNA (GAAGAA)
分子名称: 5'-R(*GP*AP*AP*GP*AP*A)-3', cDNA FLJ40872 fis, clone TUTER2000283, ...
著者Tsuda, K, Kuwasako, K, Takahashi, M, Someya, T, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Sugano, S, Muto, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2010-06-17
公開日2011-04-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural basis for the dual RNA-recognition modes of human Tra2-beta RRM.
Nucleic Acids Res., 39, 2011
6PS9
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BU of 6ps9 by Molmil
Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 17 (5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one)
分子名称: 5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one, Bromodomain-containing protein 4
著者Ilyichova, O.V, Scanlon, M.J.
登録日2019-07-12
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Synthesis and elaboration of N-methylpyrrolidone as an acetamide fragment substitute in bromodomain inhibition.
Bioorg.Med.Chem., 27, 2019
2RDA
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Human Thymidylate Synthase Stabilized in Active Conformation by R163K Mutation: Asymmetry and Reactivity of Cys195
分子名称: BETA-MERCAPTOETHANOL, PHOSPHATE ION, Thymidylate synthase
著者Gibson, L.M, Lovelace, L.L, Lebioda, L.
登録日2007-09-21
公開日2008-06-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献The R163K mutant of human thymidylate synthase is stabilized in an active conformation: structural asymmetry and reactivity of cysteine 195.
Biochemistry, 47, 2008
6PSB
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Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 18 (5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one)
分子名称: 5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one, Bromodomain-containing protein 4
著者Ilyichova, O.V, Scanlon, M.J.
登録日2019-07-12
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Synthesis and elaboration of N-methylpyrrolidone as an acetamide fragment substitute in bromodomain inhibition.
Bioorg.Med.Chem., 27, 2019
6Q01
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BU of 6q01 by Molmil
TDP2 UBA Domain Bound to Ubiquitin at 0.85 Angstroms Resolution, Crystal Form 2
分子名称: 1,2-ETHANEDIOL, BENZOIC ACID, MAGNESIUM ION, ...
著者Schellenberg, M.J, Krahn, J.M, Williams, R.S.
登録日2019-08-01
公開日2020-04-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (0.851 Å)
主引用文献Ubiquitin stimulated reversal of topoisomerase 2 DNA-protein crosslinks by TDP2.
Nucleic Acids Res., 48, 2020
2RR9
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The solution structure of the K63-Ub2:tUIMs complex
分子名称: Putative uncharacterized protein UIMC1, ubiquitin
著者Sekiyama, N, Jee, J, Isogai, S, Akagi, K, Huang, T, Ariyoshi, M, Tochio, H, Shirakawa, M.
登録日2010-06-16
公開日2011-07-06
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献The solution structure of the K63-Ub2:tUIMs complex
To be Published
6Q84
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BU of 6q84 by Molmil
Crystal structure of RanGTP-Pdr6-eIF5A export complex
分子名称: Eukaryotic translation initiation factor 5A-1, GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Aksu, M, Trakhanov, S, Vera-Rodriguez, A, Gorlich, D.
登録日2018-12-14
公開日2019-05-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Structural basis for the nuclear import and export functions of the biportin Pdr6/Kap122.
J.Cell Biol., 218, 2019
2RIQ
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BU of 2riq by Molmil
Crystal Structure of the Third Zinc-binding domain of human PARP-1
分子名称: ETHANOL, GLYCEROL, Poly [ADP-ribose] polymerase 1, ...
著者Pascal, J.M, Langelier, M.F, Servent, K.M.
登録日2007-10-12
公開日2008-01-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Third Zinc-binding Domain of Human Poly(ADP-ribose) Polymerase-1 Coordinates DNA-dependent Enzyme Activation.
J.Biol.Chem., 283, 2008
2RPC
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BU of 2rpc by Molmil
Solution structure of the tandem zf-C2H2 domains from the human zinc finger protein ZIC 3
分子名称: ZINC ION, Zinc finger protein ZIC 3
著者Tomizawa, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2008-05-14
公開日2009-03-31
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Functional and structural basis of the nuclear localization signal in the ZIC3 zinc finger domain
Hum.Mol.Genet., 17, 2008
6Q0D
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BU of 6q0d by Molmil
CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00384414-01 AT 2.05 A RESOLUTION
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ...
著者Dranow, D.M, Davies, D.R.
登録日2019-08-01
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
2RJE
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BU of 2rje by Molmil
Crystal structure of L3MBTL1 in complex with H4K20Me2 (residues 17-25), orthorhombic form II
分子名称: CHLORIDE ION, Histone H4, Lethal(3)malignant brain tumor-like protein
著者Allali-Hassani, A, Liu, Y, Herzanych, N, Ouyang, H, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J.R, Structural Genomics Consortium (SGC)
登録日2007-10-14
公開日2007-10-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献L3MBTL1 recognition of mono- and dimethylated histones.
Nat.Struct.Mol.Biol., 14, 2007
2RMA
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BU of 2rma by Molmil
Crystal structures of cyclophilin A complexed with cyclosporin A and N-methyl-4-[(E)-2-butenyl]-4,4-dimethylthreonine cyclosporin A
分子名称: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
著者Ke, H, Mayrose, D.
登録日1994-01-07
公開日1995-02-07
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of Cyclophilin a Complexed with Cyclosporin a and N-Methyl-4-[(E)-2-Butenyl]-4,4-Dimethylthreonine Cyclosporin A.
Structure, 2, 1994
2RMS
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BU of 2rms by Molmil
Solution structure of the mSin3A PAH1-SAP25 SID complex
分子名称: MSin3A-binding protein, Paired amphipathic helix protein Sin3a
著者Sahu, S.C, Swanson, K.A, Kang, R.S, Huang, K, Brubaker, K, Ratcliff, K, Radhakrishnan, I.
登録日2007-11-14
公開日2008-01-22
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Conserved Themes in Target Recognition by the PAH1 and PAH2 Domains of the Sin3 Transcriptional Corepressor
J.Mol.Biol., 375, 2007
6Q3M
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BU of 6q3m by Molmil
Structure of CHD4 PHD2 - tandem chromodomains
分子名称: 1,2-ETHANEDIOL, Chromodomain-helicase-DNA-binding protein 4, DI(HYDROXYETHYL)ETHER, ...
著者Alt, A, Mancini, E.J.
登録日2018-12-04
公開日2019-12-25
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Structure of histone readers
To Be Published
2RMB
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BU of 2rmb by Molmil
Crystal structures of cyclophilin A complexed with cyclosporin A and N-methyl-4-[(E)-2-butenyl]-4,4-dimethylthreonine cyclosporin A
分子名称: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
著者Ke, H, Mayrose, D.
登録日1994-01-07
公開日1995-02-07
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of Cyclophilin a Complexed with Cyclosporin a and N-Methyl-4-[(E)-2-Butenyl]-4,4-Dimethylthreonine Cyclosporin A.
Structure, 2, 1994
2RMR
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BU of 2rmr by Molmil
Solution structure of mSin3A PAH1 domain
分子名称: Paired amphipathic helix protein Sin3a
著者Sahu, S.C, Swanson, K.A, Kang, R.S, Huang, K, Brubaker, K, Ratcliff, K, Radhakrishnan, I.
登録日2007-11-14
公開日2008-01-22
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Conserved Themes in Target Recognition by the PAH1 and PAH2 Domains of the Sin3 Transcriptional Corepressor
J.Mol.Biol., 375, 2007
2RNY
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BU of 2rny by Molmil
Complex Structures of CBP Bromodomain with H4 ack20 Peptide
分子名称: CREB-binding protein, Histone H4
著者Zeng, L, Zhang, Q, Gerona-Navarro, G, Zhou, M.M.
登録日2008-02-03
公開日2008-05-06
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Structural Basis of Site-Specific Histone Recognition by the Bromodomains of Human Coactivators PCAF and CBP/p300
Structure, 16, 2008
2RRB
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BU of 2rrb by Molmil
Refinement of RNA binding domain in human Tra2 beta protein
分子名称: cDNA FLJ40872 fis, clone TUTER2000283, highly similar to Homo sapiens transformer-2-beta (SFRS10) gene
著者Tsuda, K, Kuwasako, K, Takahashi, M, Someya, T, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Sugano, S, Muto, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2010-06-17
公開日2011-04-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural basis for the dual RNA-recognition modes of human Tra2-beta RRM.
Nucleic Acids Res., 39, 2011
6Q3Y
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BU of 6q3y by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16i
分子名称: (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-(phenylmethyl)-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Heidenreich, D, Watts, E, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S, Hoelder, S, Structural Genomics Consortium (SGC)
登録日2018-12-04
公開日2019-03-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity.
J.Med.Chem., 62, 2019
2RSV
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BU of 2rsv by Molmil
Solution structure of human full-length vaccinia related kinase 1 (VRK1)
分子名称: Serine/threonine-protein kinase VRK1
著者Koshiba, S, Tochio, N, Yokoyama, J, Kigawa, T.
登録日2012-07-12
公開日2013-12-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A strategy for structure determination of large molecular weight protein using isotope labeling methodology with cell-free protein systhesis: application to 45 kDa human vaccinia related kianse 1 (VRK1)
To be Published
6Q8F
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Nterminal domain of human SMU1
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, WD40 repeat-containing protein SMU1
著者Tengo, L, Le Corre, L, Fournier, G, Ashraf, U, Busca, P, Rameix-Welti, M.-A, Gravier-Pelletier, C, Ruigrok, R.W.H, Jacob, Y, Vidalain, P.-O, Pietrancosta, N, Naffakh, N, McCarthy, A.A, Crepin, T.
登録日2018-12-14
公開日2019-05-22
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Destabilization of the human RED-SMU1 splicing complex as a basis for host-directed antiinfluenza strategy.
Proc.Natl.Acad.Sci.USA, 116, 2019

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