Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

6GGE
DownloadVisualize
BU of 6gge by Molmil
p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9327
分子名称: Cellular tumor antigen p53, ZINC ION, [9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium
著者Joerger, A.C, Bauer, M.R.
登録日2018-05-03
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.25000513 Å)
主引用文献A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
6CVQ
DownloadVisualize
BU of 6cvq by Molmil
Human Aprataxin (Aptx) H201Q bound to RNA-DNA, AMP and Zn product complex
分子名称: ADENOSINE MONOPHOSPHATE, Aprataxin, BETA-MERCAPTOETHANOL, ...
著者Schellenberg, M.J, Tumbale, P.S, Williams, R.S.
登録日2018-03-28
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Mechanism of APTX nicked DNA sensing and pleiotropic inactivation in neurodegenerative disease.
EMBO J., 37, 2018
7B4D
DownloadVisualize
BU of 7b4d by Molmil
Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273C/S240R double mutant bound to DNA and MQ: R273C/S240R-DNA-MQ
分子名称: (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, Cellular tumor antigen p53, ...
著者Rozenberg, H, Diskin-Posner, Y, Degtjarik, O, Shakked, Z.
登録日2020-12-02
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
7B4N
DownloadVisualize
BU of 7b4n by Molmil
Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human wild-type p53DBD bound to DNA and MQ: wt-DNA-MQ (II)
分子名称: (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, Cellular tumor antigen p53, ...
著者Rozenberg, H, Diskin-Posner, Y, Degtjarik, O, Shakked, Z.
登録日2020-12-02
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
7B49
DownloadVisualize
BU of 7b49 by Molmil
Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273H mutant bound to DNA and MQ: R273H-DNA-MQ
分子名称: (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, 1,2-ETHANEDIOL, ...
著者Rozenberg, H, Degtjarik, O, Shakked, Z.
登録日2020-12-02
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
7B4F
DownloadVisualize
BU of 7b4f by Molmil
Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R282W mutant bound to DNA: R282W-MQ (I)
分子名称: Cellular tumor antigen p53, DNA target, FORMIC ACID, ...
著者Rozenberg, H, Degtjarik, O, Shakked, Z.
登録日2020-12-02
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
6ZNC
DownloadVisualize
BU of 6znc by Molmil
Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human wild-type p53DBD bound to DNA and MQ: wt-DNA-MQ (I)
分子名称: (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, Cellular tumor antigen p53, ...
著者Rozenberg, H, Degtjarik, O, Diskin-Posner, Y, Shakked, Z.
登録日2020-07-06
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
4AGN
DownloadVisualize
BU of 4agn by Molmil
Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5116
分子名称: 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-(3-HYDROXYPROP-1-YN-1-YL)-6-IODOPHENOL, CELLULAR TUMOR ANTIGEN P53, ZINC ION
著者Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R.
登録日2012-01-30
公開日2012-03-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53.
J.Am.Chem.Soc., 134, 2012
4AGM
DownloadVisualize
BU of 4agm by Molmil
Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5086
分子名称: 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4,6-DIIODOPHENOL, CELLULAR TUMOR ANTIGEN P53, ZINC ION
著者Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R.
登録日2012-01-30
公開日2012-03-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53.
J.Am.Chem.Soc., 134, 2012
6GGF
DownloadVisualize
BU of 6ggf by Molmil
Structure of the p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9328
分子名称: Cellular tumor antigen p53, GLYCEROL, ZINC ION, ...
著者Joerger, A.C, Bauer, M.R.
登録日2018-05-03
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.32000017 Å)
主引用文献A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
6CVO
DownloadVisualize
BU of 6cvo by Molmil
Human Aprataxin (Aptx) bound to nicked RNA-DNA, AMP and Zn product complex
分子名称: ADENOSINE MONOPHOSPHATE, Aprataxin, BETA-MERCAPTOETHANOL, ...
著者Schellenberg, M.J, Tumbale, P.P, Williams, R.S.
登録日2018-03-28
公開日2018-08-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanism of APTX nicked DNA sensing and pleiotropic inactivation in neurodegenerative disease.
EMBO J., 37, 2018
6GGC
DownloadVisualize
BU of 6ggc by Molmil
p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9320
分子名称: 1,2-ETHANEDIOL, Cellular tumor antigen p53, GLYCEROL, ...
著者Joerger, A.C.
登録日2018-05-03
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
6B3E
DownloadVisualize
BU of 6b3e by Molmil
Crystal structure of human CDK12/CyclinK in complex with an inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-ol, Cyclin-K, ...
著者Ferguson, A.D.
登録日2017-09-21
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Structure-Based Design of Selective Noncovalent CDK12 Inhibitors.
ChemMedChem, 13, 2018
6WCK
DownloadVisualize
BU of 6wck by Molmil
KRAS G-quadruplex G16T mutant with Bromo Uracil replacing T8 and T16.
分子名称: DNA (5'-D(*AP*GP*GP*GP*CP*GP*GP*(BRU)P*GP*TP*GP*GP*GP*AP*AP*(BRU)P*AP*GP*GP*GP*AP*A)-3'), POTASSIUM ION
著者Schmidberger, J.W, Ou, A, Smith, N.M, Iyer, K.S, Bond, C.S.
登録日2020-03-30
公開日2020-04-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献High resolution crystal structure of a KRAS promoter G-quadruplex reveals a dimer with extensive poly-A pi-stacking interactions for small-molecule recognition.
Nucleic Acids Res., 48, 2020
6DUQ
DownloadVisualize
BU of 6duq by Molmil
Structure of a Rho-NusG KOW domain complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
著者Berger, J.M, Lawson, M.R.
登録日2018-06-21
公開日2018-09-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Mechanism for the Regulated Control of Bacterial Transcription Termination by a Universal Adaptor Protein.
Mol. Cell, 71, 2018
6DI3
DownloadVisualize
BU of 6di3 by Molmil
CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH FRAGMENT LIGAND
分子名称: 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, Tyrosine-protein kinase BTK
著者GARDBERG, A.
登録日2018-05-22
公開日2018-09-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit.
Bioorg. Med. Chem. Lett., 28, 2018
4AGO
DownloadVisualize
BU of 4ago by Molmil
Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5174
分子名称: CELLULAR TUMOR ANTIGEN P53, TERT-BUTYL [3-(3-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-HYDROXY-5-IODOPHENYL)PROP-2-YN-1-YL]CARBAMATE, ZINC ION
著者Joerger, A.C, Wilcken, R, Fersht, A.R, Boeckler, F.M.
登録日2012-01-30
公開日2012-03-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53.
J.Am.Chem.Soc., 134, 2012
6DI9
DownloadVisualize
BU of 6di9 by Molmil
CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT INHIBITOR
分子名称: 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
著者GARDBERG, A.
登録日2018-05-23
公開日2018-09-05
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit.
Bioorg. Med. Chem. Lett., 28, 2018
6DI5
DownloadVisualize
BU of 6di5 by Molmil
CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT INHIBITOR
分子名称: 2-(4-phenoxyphenoxy)-6-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
著者Gardberg, A.
登録日2018-05-22
公開日2018-09-05
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit.
Bioorg. Med. Chem. Lett., 28, 2018
3PF1
DownloadVisualize
BU of 3pf1 by Molmil
E. coli FadL Asp348Ala mutant
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LAURYL DIMETHYLAMINE-N-OXIDE, Long-chain fatty acid transport protein
著者Vandenberg, B, Lepore, B.W, Hearn, E.M, Indic, M, Patel, D.
登録日2010-10-27
公開日2011-05-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献From the Cover: Ligand-gated diffusion across the bacterial outer membrane.
Proc.Natl.Acad.Sci.USA, 108, 2011
7K4A
DownloadVisualize
BU of 7k4a by Molmil
Cryo-EM structure of human TRPV6 in the open state
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ...
著者Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I.
登録日2020-09-15
公開日2020-12-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Inactivation-mimicking block of the epithelial calcium channel TRPV6.
Sci Adv, 6, 2020
6O5E
DownloadVisualize
BU of 6o5e by Molmil
Crystal structure of the Vitronectin hemopexin-like domain
分子名称: CHLORIDE ION, IMIDAZOLE, NITRATE ION, ...
著者Lechtenberg, B.C, Shin, K, Marassi, F.M.
登録日2019-03-01
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of human Vitronectin C-terminal domain and interaction withYersinia pestisouter membrane protein Ail.
Sci Adv, 5, 2019
6M2B
DownloadVisualize
BU of 6m2b by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416
分子名称: 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Zhu, L, Li, H.
登録日2020-02-27
公開日2021-03-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Novel and potent inhibitors targeting DHODH are broad-spectrum antivirals against RNA viruses including newly-emerged coronavirus SARS-CoV-2.
Protein Cell, 11, 2020
6P0B
DownloadVisualize
BU of 6p0b by Molmil
Human DNA Ligase 1 (E346A/E592A) Bound to an Adenylated, dideoxy Terminated DNA nick with 200 mM Mg2+
分子名称: ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), ...
著者Schellenberg, M.J, Williams, R.S, Tumbale, P.S, Riccio, A.A.
登録日2019-05-16
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献Two-tiered enforcement of high-fidelity DNA ligation.
Nat Commun, 10, 2019
6P0A
DownloadVisualize
BU of 6p0a by Molmil
Human DNA Ligase 1 Bound to an Adenylated, dideoxy Terminated DNA nick with 2 mM Mg2+
分子名称: ADENOSINE MONOPHOSPHATE, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Schellenberg, M.J, Williams, R.S, Tumbale, P.S, Riccio, A.A.
登録日2019-05-16
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Two-tiered enforcement of high-fidelity DNA ligation.
Nat Commun, 10, 2019

222624

件を2024-07-17に公開中

PDB statisticsPDBj update infoContact PDBjnumon