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2L9R
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BU of 2l9r by Molmil
Solution NMR Structure of Homeobox domain of Homeobox protein Nkx-3.1 from homo sapiens, Northeast Structural Genomics Consortium Target HR6470A
分子名称: Homeobox protein Nkx-3.1
著者Liu, G, Xiao, R, Lee, H.-W, Hamilton, K, Ciccosanti, C, Wang, H.B, Acton, T.B, Everett, J.K, Huang, Y.J, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2011-02-22
公開日2011-04-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of Homeobox domain of Homeobox protein Nkx-3.1 from homo sapiens, Northeast Structural Genomics Consortium Target HR6470A
To be Published
6AC8
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BU of 6ac8 by Molmil
Crystal structure of Mycobacterium smegmatis Mfd at 2.75 A resolution
分子名称: Mycobacterium smegmatis Mfd, SULFATE ION
著者Putta, S, Fox, G.C, Walsh, M.A, Rao, D.N, Nagaraja, V, Natesh, R.
登録日2018-07-25
公開日2019-08-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural basis for nucleotide-mediated remodelling mechanism of Mycobacterium Mfd
To Be Published
6E1A
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BU of 6e1a by Molmil
Menin bound to M-89
分子名称: (1S,2R)-2-[(4S)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate, Menin, praseodymium triacetate
著者Stuckey, J.A.
登録日2018-07-09
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure-Based Discovery of M-89 as a Highly Potent Inhibitor of the Menin-Mixed Lineage Leukemia (Menin-MLL) Protein-Protein Interaction.
J.Med.Chem., 62, 2019
4QP6
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BU of 4qp6 by Molmil
Crystal Structure of ERK2 in complex with 5H-pyrrolo[2,3-b]pyrazine
分子名称: 5H-pyrrolo[2,3-b]pyrazine, IMIDAZOLE, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
3DKW
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BU of 3dkw by Molmil
Crystal Structure of DNR from Pseudomonas aeruginosa.
分子名称: DNR protein
著者Giardina, G.
登録日2008-06-26
公開日2009-05-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献A dramatic conformational rearrangement is necessary for the activation of DNR from Pseudomonas aeruginosa. Crystal structure of wild-type DNR.
Proteins, 2009
5F64
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BU of 5f64 by Molmil
Putative positive transcription regulator (sensor EvgS) from Shigella flexneri
分子名称: Positive transcription regulator EvgA
著者Nocek, B, Osipiuk, J, Mulligan, R, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-12-05
公開日2015-12-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Putative positive transcription regulator (sensor EvgS) from Shigella flexneri.
to be published
5F6F
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BU of 5f6f by Molmil
S. aureus MepR G34R Mutant
分子名称: MarR family regulatory protein
著者Newman, C.E, Birukou, I, Brennan, R.G.
登録日2015-12-05
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献S. aureus MepR G34R Mutant
To Be Published
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
4QP8
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BU of 4qp8 by Molmil
Crystal Structure of ERK2 in complex with 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine
分子名称: 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.446 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP2
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BU of 4qp2 by Molmil
Crystal Structure of ERKs in complex with 5-chlorobenzo[d]oxazol-2-amine
分子名称: 5-chloro-1,3-benzoxazol-2-amine, IMIDAZOLE, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QTP
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BU of 4qtp by Molmil
Crystal Structure of an Anti-sigma Factor Antagonist from Mycobacterium paratuberculosis
分子名称: 1,2-ETHANEDIOL, Anti-sigma factor antagonist, CITRIC ACID, ...
著者Dranow, D.M, Clifton, M.C, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2014-07-08
公開日2014-07-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of an Anti-sigma Factor Antagonist from Mycobacterium paratuberculosis
TO BE PUBLISHED
8GME
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BU of 8gme by Molmil
Crystal structure of the gp32-Dda-dT17 complex
分子名称: Dda helicase, ZINC ION, dT17, ...
著者He, X, Yun, M.K, White, S.W.
登録日2023-03-24
公開日2023-06-28
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (4.98 Å)
主引用文献Crystal structure of the gp32-Dda-dT17 complex
To Be Published
5FUC
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BU of 5fuc by Molmil
Biophysical and cellular characterisation of a junctional epitope antibody that locks IL-6 and gp80 together in a stable complex: implications for new therapeutic strategies
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, INTERLEUKIN-6, INTERLEUKIN-6 RECEPTOR SUBUNIT ALPHA, ...
著者Adams, R, Griffin, R, Doyle, C, Ettorre, A.
登録日2016-01-25
公開日2017-01-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of a junctional epitope antibody that stabilizes IL-6 and gp80 protein:protein interaction and modulates its downstream signaling.
Sci Rep, 7, 2017
4QTE
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BU of 4qte by Molmil
Structure of ERK2 in complex with VTX-11e, 4-{2-[(2-CHLORO-4-FLUOROPHENYL)AMINO]-5-METHYLPYRIMIDIN-4-YL}-N-[(1S)-1-(3-CHLOROPHENYL)-2-HYDROXYETHYL]-1H-PYRROLE-2-CARBOXAMIDE
分子名称: 1,2-ETHANEDIOL, 4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, ...
著者Chaikuad, A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2014-07-07
公開日2014-07-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics.
Nat.Chem.Biol., 10, 2014
4QTA
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BU of 4qta by Molmil
Structure of human ERK2 in complex with SCH772984 revealing a novel inhibitor-induced binding pocket
分子名称: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, ...
著者Chaikuad, A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2014-07-07
公開日2014-07-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics.
Nat.Chem.Biol., 10, 2014
8G1U
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BU of 8g1u by Molmil
Structure of the methylosome-Lsm10/11 complex
分子名称: ADENOSINE, Methylosome protein 50, Methylosome subunit pICln, ...
著者Lin, M, Paige, A, Tong, L.
登録日2023-02-03
公開日2023-08-23
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献In vitro methylation of the U7 snRNP subunits Lsm11 and SmE by the PRMT5/MEP50/pICln methylosome.
Rna, 29, 2023
8JSG
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BU of 8jsg by Molmil
Structure of the 30S-IF3 complex from Escherichia coli
分子名称: 16S ribosomal RNA, 30S ribosomal protein S16, Small ribosomal subunit protein bS18, ...
著者Uday, A.B, Mishra, R.K, Hussain, T.
登録日2023-06-20
公開日2024-02-21
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Initiation factor 3 bound to the 30S ribosomal subunit in an initial step of translation.
Proteins, 2023
4QQE
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BU of 4qqe by Molmil
Crystal structure of WDR5, WD repeat domain 5 in complex with compound SGC-DS-MT-0345
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, N-[2-(4-methylpiperazin-1-yl)-5-(quinolin-3-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, ...
著者Dong, A, Dombrovski, L, Wernimont, A, Smil, D, Getlik, M, Senisterra, G, Poda, G, 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2014-06-27
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of WDR5, WD repeat domain 5 in complex with compound SGC-DS-MT-0345
To be Published
6SJV
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BU of 6sjv by Molmil
Structure of HPV18 E6 oncoprotein in complex with mutant E6AP LxxLL motif
分子名称: Maltodextrin-binding protein,Protein E6,Ubiquitin-protein ligase E3A, ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Kostmann, C, Mitschler, A, Podjarny, A, Trave, G.
登録日2019-08-14
公開日2019-09-04
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.029 Å)
主引用文献Cellular target recognition by HPV18 and HPV49 oncoproteins
To be published
4Y7R
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BU of 4y7r by Molmil
Crystal structure of WDR5 in complex with MYC MbIIIb peptide
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MYC MbIIIb peptide, ...
著者Sun, Q, Phan, J, Olejniczak, E.T, Thomas, L.R, Fesik, S.W, Tansey, W.P.
登録日2015-02-16
公開日2015-04-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Interaction with WDR5 Promotes Target Gene Recognition and Tumorigenesis by MYC.
Mol.Cell, 58, 2015
8K3O
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BU of 8k3o by Molmil
Cryo-EM structure of 30S ribosome with cleaved AP-mRNA bound complex I
分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Afsar, M, Shukla, A, Ramachandran, R.
登録日2023-07-16
公開日2024-07-24
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Cryo-EM structure of 30S ribosome with cleaved AP-mRNA bound complex I
To Be Published
8K4E
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BU of 8k4e by Molmil
Cryo-EM structure of 30S ribosome with cleaved AP-mRNA bound complex-II
分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Ramachandran, R, Afsar, M, Shukla, A.
登録日2023-07-18
公開日2024-07-24
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM structure of 30S ribosome with cleaved AP-mRNA bound complex-II
To Be Published
4RW4
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BU of 4rw4 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (K103N,Y181C) variant in complex with (E)-3-(3-chloro-5-(4-chloro-2-(2-(2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ494), a Non-nucleoside Inhibitor
分子名称: (2E)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ...
著者Frey, K.M, Anderson, K.S.
登録日2014-12-01
公開日2015-04-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.674 Å)
主引用文献Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants.
J.Med.Chem., 58, 2015
6GZ1
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BU of 6gz1 by Molmil
Crystal Structure of the LeuO Effector Binding Domain
分子名称: HTH-type transcriptional regulator LeuO, SULFATE ION
著者Fragel, S, Montada, A.M, Baumann, U, Schacherl, M, Schnetz, K.
登録日2018-07-02
公開日2019-06-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Characterization of the pleiotropic LysR-type transcription regulator LeuO of Escherichia coli.
Nucleic Acids Res., 47, 2019
4RW8
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Crystal Structure of HIV-1 Reverse Transcriptase in complex with (E)-3-(3-chloro-5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ532), a non-nucleoside inhibitor'
分子名称: (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ...
著者Frey, K.M, Anderson, K.S.
登録日2014-12-01
公開日2015-04-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.878 Å)
主引用文献Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants.
J.Med.Chem., 58, 2015

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