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4HNA
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BU of 4hna by Molmil
Kinesin motor domain in the ADP-MG-ALFX state in complex with tubulin and a DARPIN
分子名称: ADENOSINE-5'-DIPHOSPHATE, DESIGNED ANKYRIN REPEAT PROTEIN (DARPIN) D2, GUANOSINE-5'-DIPHOSPHATE, ...
著者Gigant, B, Knossow, M.
登録日2012-10-19
公開日2013-06-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Structure of a kinesin-tubulin complex and implications for kinesin motility.
Nat.Struct.Mol.Biol., 20, 2013
6XML
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BU of 6xml by Molmil
Human aldolase A I98C
分子名称: Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION
著者Meneely, K.M, Brewer, K, Lamb, A.L.
登録日2020-06-30
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population.
Protein Sci., 31, 2022
6XMO
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BU of 6xmo by Molmil
Human aldolase A I98F
分子名称: Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION
著者Meneely, K.M, Lamb, A.L.
登録日2020-06-30
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population.
Protein Sci., 31, 2022
7P73
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BU of 7p73 by Molmil
The PDZ domain of SYNJ2BP complexed with the PDZ-binding motif of HTLV1-TAX1
分子名称: CALCIUM ION, GLYCEROL, Protein Tax-1, ...
著者Gogl, G, Cousido-Siah, A, Trave, G.
登録日2021-07-19
公開日2022-07-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Quantitative fragmentomics allow affinity mapping of interactomes.
Nat Commun, 13, 2022
7P74
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BU of 7p74 by Molmil
The PDZ domain of SYNJ2BP complexed with the phosphorylated PDZ-binding motif of RSK1
分子名称: CALCIUM ION, GLYCEROL, Ribosomal protein S6 kinase alpha-1, ...
著者Gogl, G, Cousido-Siah, A, Trave, G.
登録日2021-07-19
公開日2022-07-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Quantitative fragmentomics allow affinity mapping of interactomes.
Nat Commun, 13, 2022
7P70
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BU of 7p70 by Molmil
The PDZ-domain of SNTB1 complexed with the PDZ-binding motif of HPV35-E6
分子名称: Beta-1-syntrophin,Annexin A2, CALCIUM ION, GLYCEROL, ...
著者Gogl, G, Cousido-Siah, A, Trave, G.
登録日2021-07-19
公開日2022-07-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Quantitative fragmentomics allow affinity mapping of interactomes.
Nat Commun, 13, 2022
7P71
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BU of 7p71 by Molmil
The PDZ domain of MAGI1_2 complexed with the PDZ-binding motif of HPV35-E6
分子名称: CALCIUM ION, CITRIC ACID, GLYCEROL, ...
著者Gogl, G, Cousido-Siah, A, Trave, G.
登録日2021-07-19
公開日2022-07-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Quantitative fragmentomics allow affinity mapping of interactomes.
Nat Commun, 13, 2022
5LPX
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BU of 5lpx by Molmil
Crystal structure of PKC phosphorylation-mimicking mutant (S26E) Annexin A2
分子名称: Annexin A2, CALCIUM ION, GLYCEROL
著者Ecsedi, P, Gogl, G, Kiss, B, Nyitray, L.
登録日2016-08-15
公開日2017-07-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Regulation of the Equilibrium between Closed and Open Conformations of Annexin A2 by N-Terminal Phosphorylation and S100A4-Binding.
Structure, 25, 2017
6XMH
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BU of 6xmh by Molmil
Human aldolase A wild type
分子名称: Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION
著者Meneely, K.M, Lamb, A.L.
登録日2020-06-30
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population.
Protein Sci., 31, 2022
6XMM
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BU of 6xmm by Molmil
Human aldolase A I98S
分子名称: Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION
著者Meneely, K.M, Brewer, K, Lamb, A.L.
登録日2020-06-30
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population.
Protein Sci., 31, 2022
8F2Z
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BU of 8f2z by Molmil
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
8F30
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BU of 8f30 by Molmil
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
8F59
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BU of 8f59 by Molmil
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
8F6S
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BU of 8f6s by Molmil
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
2MKF
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BU of 2mkf by Molmil
Solution structure of the E81 deletion mutant of the tandem UIMs of RAP80
分子名称: BRCA1-A complex subunit RAP80
著者Anamika, Markin, C.J, Rout, M.K, Spyracopoulos, L.
登録日2014-02-06
公開日2014-03-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Molecular Basis for Impaired DNA Damage Response Function Associated with the RAP80 Delta E81 Defect.
J.Biol.Chem., 289, 2014
7P72
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BU of 7p72 by Molmil
The PDZ domain of SNX27 complexed with the PDZ-binding motif of MERS-E
分子名称: CALCIUM ION, Envelope small membrane protein, GLYCEROL, ...
著者Gogl, G, Cousido-Siah, A, Trave, G.
登録日2021-07-19
公開日2022-07-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Quantitative fragmentomics allow affinity mapping of interactomes.
Nat Commun, 13, 2022
8G3C
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BU of 8g3c by Molmil
Crystal structure of human WDR5 in complex with N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide (compound 1, WDR5-MYC PPI inhibitor)
分子名称: N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide, WD repeat-containing protein 5
著者Zhao, M.
登録日2023-02-07
公開日2023-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction.
J.Med.Chem., 66, 2023
2MD5
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BU of 2md5 by Molmil
Structure of uninhibited ETV6 ETS domain
分子名称: Transcription factor ETV6
著者De, S, Mcintosh, L.P, Chan, A.C, Coyne, H.J, Okon, M, Graves, B.J, Murphy, M.E.
登録日2013-08-29
公開日2013-12-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Steric Mechanism of Auto-Inhibitory Regulation of Specific and Non-Specific DNA Binding by the ETS Transcriptional Repressor ETV6.
J.Mol.Biol., 426, 2014
8G3E
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BU of 8g3e by Molmil
Crystal structure of human WDR5 in complex with (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide (compound 2, WDR5-MYC inhibitor)
分子名称: (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide, WD repeat-containing protein 5
著者Zhao, M.
登録日2023-02-07
公開日2023-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction.
J.Med.Chem., 66, 2023
2LXU
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BU of 2lxu by Molmil
Solution NMR Structure of the eukaryotic RNA recognition motif, RRM1, from the heterogeneous nuclear ribonucleoprotein H from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8614A
分子名称: Heterogeneous nuclear ribonucleoprotein H
著者Ramelot, T.A, Yang, Y, Pederson, K, Shastry, R, Kohan, E, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Prestegard, J.H, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
登録日2012-08-31
公開日2012-10-31
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of the eukaryotic RNA recognition motif, RRM1, from the heterogeneous nuclear ribonucleoprotein H from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8614A
To be Published
5LZU
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BU of 5lzu by Molmil
Structure of the mammalian ribosomal termination complex with accommodated eRF1
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S12, ...
著者Shao, S, Murray, J, Brown, A, Taunton, J, Ramakrishnan, V, Hegde, R.S.
登録日2016-10-02
公開日2016-11-30
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献Decoding Mammalian Ribosome-mRNA States by Translational GTPase Complexes.
Cell, 167, 2016
5M25
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BU of 5m25 by Molmil
Modulation of MLL1 Methyltransferase Activity
分子名称: (2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-~{N}-[(2~{S})-1-[[4-[(~{E})-[4-(hydroxymethyl)phenyl]diazenyl]phenyl]methylamino]-1-oxidanylidene-propan-2-yl]pentanamide, WD repeat-containing protein 5
著者Srinivasan, V.
登録日2016-10-11
公開日2017-06-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Controlled inhibition of methyltransferases using photoswitchable peptidomimetics: towards an epigenetic regulation of leukemia.
Chem Sci, 8, 2017
6S4B
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BU of 6s4b by Molmil
Crystal Structure of BRD4(1) bound to inhibitor BUX1 (8)
分子名称: (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, CALCIUM ION, ...
著者Huegle, M.
登録日2019-06-27
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
J.Med.Chem., 63, 2020
2M16
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BU of 2m16 by Molmil
P75/LEDGF PWWP Domain
分子名称: PC4 and SFRS1-interacting protein
著者Crowe, B.L, Foster, M.P.
登録日2012-11-18
公開日2013-02-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis for high-affinity binding of LEDGF PWWP to mononucleosomes.
Nucleic Acids Res., 41, 2013
6S6K
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BU of 6s6k by Molmil
Crystal Structure of BRD4(1) bound to inhibitor BUX2 (9)
分子名称: (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
著者Huegle, M.
登録日2019-07-03
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
J.Med.Chem., 63, 2020

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