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4RUO
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BU of 4ruo by Molmil
Crystal structure of zVDR L337H mutant-gemini complex
分子名称: 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E), ...
著者Huet, T, Moras, D, Rochel, N.
登録日2014-11-21
公開日2015-10-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.805 Å)
主引用文献A vitamin D receptor selectively activated by gemini analogs reveals ligand dependent and independent effects.
Cell Rep, 10, 2015
5HG8
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BU of 5hg8 by Molmil
EGFR (L858R, T790M, V948R) in complex with N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]prop-2-enamide
分子名称: Epidermal growth factor receptor, GLYCEROL, N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]propanamide, ...
著者Gajiwala, K.S.
登録日2016-01-08
公開日2016-02-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.
J.Med.Chem., 59, 2016
1SWI
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BU of 1swi by Molmil
GCN4-LEUCINE ZIPPER CORE MUTANT AS N16A COMPLEXED WITH BENZENE
分子名称: BENZENE, GCN4P1
著者Gonzalez, L, Plecs, J, Alber, T.
登録日1996-05-09
公開日1996-11-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献An engineered allosteric switch in leucine-zipper oligomerization.
Nat.Struct.Biol., 3, 1996
4S31
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BU of 4s31 by Molmil
Crystal structure of mitogen-activated protein kinase 1 wtERK2 at 1.45A
分子名称: Mitogen-activated protein kinase 1
著者Livnah, O, Karamansha, Y.
登録日2015-01-26
公開日2016-01-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Multiple mechanisms render Erk proteins MEK-independent
To be Published
4RUP
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BU of 4rup by Molmil
Crystal structure of zVDR L337H mutant-Gemini72 complex
分子名称: (1R,3R,7E,17beta)-17-[(1R)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,1 0-secoestra-5,7-diene-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Huet, T, Moras, D, Rochel, N.
登録日2014-11-21
公開日2015-10-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A vitamin D receptor selectively activated by gemini analogs reveals ligand dependent and independent effects.
Cell Rep, 10, 2015
6E1Y
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BU of 6e1y by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
分子名称: N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.219 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
2K2U
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BU of 2k2u by Molmil
NMR Structure of the complex between Tfb1 subunit of TFIIH and the activation domain of VP16
分子名称: Alpha trans-inducing protein, RNA polymerase II transcription factor B subunit 1
著者Langlois, C, Mas, C, Di Lello, P, Miller Jenkins, P.M, Legault, J, Omichinski, J.G.
登録日2008-04-11
公開日2008-08-12
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献NMR Structure of the Complex between the Tfb1 Subunit of TFIIH and the Activation Domain of VP16: Structural Similarities between VP16 and p53.
J.Am.Chem.Soc., 130, 2008
6E1Z
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BU of 6e1z by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
分子名称: 5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
4EJU
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BU of 4eju by Molmil
Staphylococcus epidermidis TcaR full length
分子名称: Transcriptional regulator TcaR
著者Chang, Y.M, Chen, C.K.M, Wang, A.H.J.
登録日2012-04-07
公開日2013-05-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural analysis of the antibiotic recognition mechanism of MarR family proteins
Acta Crystallogr.,Sect.D, 2013
5HCQ
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BU of 5hcq by Molmil
Crystal structure of antimicrobial peptide Oncocin d15-19 bound to the Thermus thermophilus 70S ribosome
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Gagnon, M.G, Roy, R.N, Lomakin, I.B, Florin, T, Mankin, A.S, Steitz, T.A.
登録日2016-01-04
公開日2016-04-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Structures of proline-rich peptides bound to the ribosome reveal a common mechanism of protein synthesis inhibition.
Nucleic Acids Res., 44, 2016
4Q0A
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BU of 4q0a by Molmil
Vitamin D Receptor complex with lithocholic acid
分子名称: (3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid, Nuclear receptor coactivator 2, Vitamin D3 receptor A
著者Belorusova, A, Rochel, N.
登録日2014-04-01
公開日2014-07-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into the molecular mechanism of vitamin d receptor activation by lithocholic Acid involving a new mode of ligand recognition.
J.Med.Chem., 57, 2014
5HG7
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BU of 5hg7 by Molmil
EGFR (L858R, T790M, V948R) in complex with 1-{(3R,4R)-3-[5-Chloro-2-(1-methyl-1H-pyrazol-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxymethyl]-4-methoxy-pyrrolidin-1-yl}propenone (PF-06459988)
分子名称: 1-{(3R,4R)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}propan-1-one, Epidermal growth factor receptor, SULFATE ION
著者Gajiwala, K.S.
登録日2016-01-08
公開日2016-01-27
最終更新日2016-03-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.
J.Med.Chem., 59, 2016
5HAU
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BU of 5hau by Molmil
Crystal structure of antimicrobial peptide Bac7(1-19) bound to the Thermus thermophilus 70S ribosome
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Gagnon, M.G, Roy, R.N, Lomakin, I.B, Florin, T, Mankin, A.S, Steitz, T.A.
登録日2015-12-30
公開日2016-04-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structures of proline-rich peptides bound to the ribosome reveal a common mechanism of protein synthesis inhibition.
Nucleic Acids Res., 44, 2016
7K56
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BU of 7k56 by Molmil
Structure of VCP dodecamer purified from H1299 cells
分子名称: Transitional endoplasmic reticulum ATPase
著者Yu, G, Bai, Y, Li, K, Jiang, W, Zhang, Z.Y.
登録日2020-09-16
公開日2021-10-13
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-electron microscopy structures of VCP/p97 reveal a new mechanism of oligomerization regulation.
Iscience, 24, 2021
7K59
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BU of 7k59 by Molmil
Structure of apo VCP hexamer generated from bacterially recombinant VCP/p97
分子名称: Transitional endoplasmic reticulum ATPase
著者Yu, G, Bai, Y, Li, K, Jiang, W, Zhang, Z.Y.
登録日2020-09-16
公開日2021-10-13
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Cryo-electron microscopy structures of VCP/p97 reveal a new mechanism of oligomerization regulation.
Iscience, 24, 2021
7K57
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BU of 7k57 by Molmil
Structure of apo VCP dodecamer generated from bacterially recombinant VCP/p97
分子名称: Transitional endoplasmic reticulum ATPase
著者Yu, G, Bai, Y, Li, K, Jiang, W, Zhang, Z.Y.
登録日2020-09-16
公開日2021-10-13
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-electron microscopy structures of VCP/p97 reveal a new mechanism of oligomerization regulation.
Iscience, 24, 2021
1UNU
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BU of 1unu by Molmil
Structure Based Engineering of Internal Molecular Surfaces Of Four Helix Bundles
分子名称: CHLORIDE ION, GENERAL CONTROL PROTEIN GCN4
著者Yadav, M.K, Redman, J.E, Alvarez-Gutierrez, J.M, Zhang, Y, Stout, C.D, Ghadiri, M.R.
登録日2003-09-15
公開日2004-10-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides
Biochemistry, 44, 2005
7KRD
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BU of 7krd by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-(3-chloro-5-cyanophenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ702)
分子名称: 4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
著者Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
登録日2020-11-19
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
2F20
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BU of 2f20 by Molmil
X-ray Crystal Structure of Protein BT_1218 from Bacteroides thetaiotaomicron. Northeast Structural Genomics Consortium Target BtR8.
分子名称: conserved hypothetical protein, with conserved domain
著者Vorobiev, S.M, Abashidze, M, Seetharaman, J, Forouhar, F, Xiao, R, Ma, L.-C, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2005-11-15
公開日2005-11-22
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the Q8A8E9_BACTIN hypothetical protein from Bacteroides thetaiotaomicron.
To be Published
4E2Q
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BU of 4e2q by Molmil
Crystal Structure of (S)-Ureidoglycine Aminohydrolase from Arabidopsis thaliana
分子名称: MANGANESE (II) ION, Ureidoglycine aminohydrolase
著者Shin, I, Rhee, S.
登録日2012-03-09
公開日2012-04-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and functional insights into (S)-ureidoglycine aminohydrolase, key enzyme of purine catabolism in Arabidopsis thaliana
J.Biol.Chem., 287, 2012
4E2S
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BU of 4e2s by Molmil
Crystal structure of (S)-Ureidoglycine Aminohydrolase from Arabidopsis thaliana in complex with its substrate, (S)-Ureidoglycine
分子名称: (2S)-amino(carbamoylamino)ethanoic acid, MANGANESE (II) ION, Ureidoglycine aminohydrolase
著者Shin, I, Rhee, S.
登録日2012-03-09
公開日2012-04-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structural and functional insights into (S)-ureidoglycine aminohydrolase, key enzyme of purine catabolism in Arabidopsis thaliana
J.Biol.Chem., 287, 2012
4QL1
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BU of 4ql1 by Molmil
Crystal structure of human WDR5 in complex with compound OICR-9429
分子名称: 1,2-ETHANEDIOL, GLYCEROL, N-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, ...
著者Dong, A, Dombrovski, L, Walker, J.R, Getlik, M, Kuznetsova, E, Smil, D, Barsyte, D, Li, F, Poda, G, Senisterra, G, Marcellus, R, Al-Awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
登録日2014-06-10
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Pharmacological targeting of the Wdr5-MLL interaction in C/EBP alpha N-terminal leukemia.
Nat.Chem.Biol., 11, 2015
1V4R
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BU of 1v4r by Molmil
Solution structure of Streptmycal repressor TraR
分子名称: Transcriptional Repressor
著者Tanaka, T, Komatsu, C, Kobayashi, K, Sugai, M, Kataoka, M, Kohno, T.
登録日2003-11-17
公開日2005-03-01
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of Streptmycal repressor TraR
TO BE PUBLISHED
4S33
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BU of 4s33 by Molmil
ERK2 R65S mutant complexed with AMP-PNP
分子名称: MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Livnah, O, Karamansha, Y, Tzarum, N.
登録日2015-01-26
公開日2016-01-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Multiple mechanisms render Erk proteins MEK-independent
To be Published
5XBI
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BU of 5xbi by Molmil
The structure of BrlR-C domain bound to 3-amino-2-phenazino(a pyocyanin analog)
分子名称: 3-azanylphenazin-2-ol, DI(HYDROXYETHYL)ETHER, Probable transcriptional regulator
著者Wang, F, Qing, H, Gu, L.
登録日2017-03-17
公開日2018-03-21
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献BrlR from Pseudomonas aeruginosa is a receptor for both cyclic di-GMP and pyocyanin.
Nat Commun, 9, 2018

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