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1HF0
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Crystal structure of the DNA-binding domain of Oct-1 bound to DNA as a dimer
分子名称: DNA 5'-D(*CP*AP*CP*AP*TP*TP*TP*GP*AP*AP*AP*GP*GP* CP*AP*AP*AP*TP*GP*GP*AP*G)-3', DNA 5'-D(*CP*TP*CP*CP*AP*TP*TP*TP*GP*CP*CP*TP*TP* TP*CP*AP*AP*AP*TP*GP*TP*G)-3', OCTAMER-BINDING TRANSCRIPTION FACTOR 1
著者Remenyi, A, Tomilin, A, Pohl, E, Scholer, H.R, Wilmanns, M.
登録日2000-11-27
公開日2001-11-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Differential Dimer Activities of the Transcription Factor Oct-1 by DNA-Induced Interface Swapping
Mol.Cell, 8, 2001
8E96
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Glycine and glutamate bound Human GluN1a-GluN2D NMDA receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, GLYCINE, ...
著者Kang, H, Furukawa, H.
登録日2022-08-26
公開日2022-12-07
最終更新日2022-12-14
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Structural insights into assembly and function of GluN1-2C, GluN1-2A-2C, and GluN1-2D NMDARs.
Mol.Cell, 82, 2022
8JN8
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Crystal structure of c-Src in complex with covalent inhibitor DC-Srci-6668
分子名称: (2R)-N-cyclopentyl-2-[cyclopropyl(ethanoyl)amino]-2-(4-fluorophenyl)ethanamide, Proto-oncogene tyrosine-protein kinase Src
著者Zhang, H.M, Luo, C.
登録日2023-06-06
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献The crystal structure of c-Src in complex with covalent inhibitor DC-Srci-6668
To Be Published
8JN9
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Crystal structure of c-Src in complex with covalent inhibitor LW-Srci-8
分子名称: N-[(1R)-1-[3,5-bis(fluoranyl)phenyl]-2-(cyclopentylamino)-2-oxidanylidene-ethyl]-N-cyclopropyl-prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src
著者Zhang, H.M, Luo, C.
登録日2023-06-06
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.724 Å)
主引用文献The crystal structure of c-Src in complex with covalent inhibitor LW-Srci-8
To Be Published
4ACC
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BU of 4acc by Molmil
GSK3b in complex with inhibitor
分子名称: 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, DIMETHYL SULFOXIDE, GLYCOGEN SYNTHASE KINASE-3 BETA
著者Xue, Y, Ormo, M.
登録日2011-12-14
公開日2012-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
4ACH
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BU of 4ach by Molmil
GSK3b in complex with inhibitor
分子名称: 3-AMINO-N-(3-METHOXYPROPYL)-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}PYRAZINE-2-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA
著者Xue, Y, Ormo, M.
登録日2011-12-15
公開日2012-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
8DSD
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BU of 8dsd by Molmil
Human NAMPT in complex with substrate NAM and small molecule activator NP-A1-S
分子名称: (3S)-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ...
著者Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R.
登録日2022-07-22
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.429 Å)
主引用文献Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
8DSH
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Human NAMPT in complex with quercitrin and AMPcP
分子名称: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, Nicotinamide phosphoribosyltransferase, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
著者Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R.
登録日2022-07-22
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
8DTJ
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BU of 8dtj by Molmil
Human NAMPT in complex with small molecule activator ZN-43-S
分子名称: (3S)-N-[(1-benzothiophen-5-yl)methyl]-1-{2-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-yl}piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ...
著者Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R.
登録日2022-07-25
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.118 Å)
主引用文献Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
8DSI
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BU of 8dsi by Molmil
Human NAMPT in complex with substrate NAM
分子名称: CHLORIDE ION, GLYCEROL, NICOTINAMIDE, ...
著者Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R.
登録日2022-07-22
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
8DSC
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BU of 8dsc by Molmil
Human NAMPT in complex with substrate NAM and small molecule activator NP-A1-R
分子名称: (3R)-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ...
著者Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R.
登録日2022-07-22
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.321 Å)
主引用文献Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
8DSE
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BU of 8dse by Molmil
Human NAMPT in complex with substrate NAM and activator quercitrin
分子名称: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, CHLORIDE ION, NICOTINAMIDE, ...
著者Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R.
登録日2022-07-22
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.428 Å)
主引用文献Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
1CXZ
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BU of 1cxz by Molmil
CRYSTAL STRUCTURE OF HUMAN RHOA COMPLEXED WITH THE EFFECTOR DOMAIN OF THE PROTEIN KINASE PKN/PRK1
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, PROTEIN (HIS-TAGGED TRANSFORMING PROTEIN RHOA(0-181)), ...
著者Maesaki, R, Ihara, K, Shimizu, T, Kuroda, S, Kaibuchi, K, Hakoshima, T.
登録日1999-08-31
公開日1999-10-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The structural basis of Rho effector recognition revealed by the crystal structure of human RhoA complexed with the effector domain of PKN/PRK1.
Mol.Cell, 4, 1999
8DNH
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BU of 8dnh by Molmil
Cryo-EM structure of nonmuscle beta-actin
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ...
著者Arora, A.S, Huang, H.L, Heissler, S.M, Chinthalapudi, K.
登録日2022-07-11
公開日2023-04-12
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Structural insights into actin isoforms.
Elife, 12, 2023
6EWW
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BU of 6eww by Molmil
Structure of 14-3-3 zeta in complex with CaMKK2 14-3-3 binding motif
分子名称: 14-3-3 protein zeta/delta, ARG-LYS-LEU-SEP-LEU-GLN-GLU-ARG
著者Lentini Santo, D, Obsilova, V, Obsil, T.
登録日2017-11-06
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.679 Å)
主引用文献14-3-3 protein directly interacts with the kinase domain of calcium/calmodulin-dependent protein kinase kinase (CaMKK2).
Biochim. Biophys. Acta, 1862, 2018
6F08
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BU of 6f08 by Molmil
14-3-3 zeta in complex with the human Son of sevenless homolog 1 (SOS1)
分子名称: 14-3-3 protein zeta/delta, PENTAETHYLENE GLYCOL, Son of sevenless homolog 1
著者Ballone, A, Centorrino, F, Ottmann, C, Guo, S, Leysen, S.
登録日2017-11-17
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural characterization of 14-3-3 zeta in complex with the human Son of sevenless homolog 1 (SOS1).
J. Struct. Biol., 202, 2018
5U5S
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BU of 5u5s by Molmil
Solution structures of Brd2 second bromodomain in complex with stat3 peptide
分子名称: Bromodomain-containing protein 2, Stat3 peptide
著者Zeng, L, Zhou, M.-M.
登録日2016-12-07
公開日2017-03-22
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Distinct Roles of Brd2 and Brd4 in Potentiating the Transcriptional Program for Th17 Cell Differentiation.
Mol. Cell, 65, 2017
1FG9
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BU of 1fg9 by Molmil
3:1 COMPLEX OF INTERFERON-GAMMA RECEPTOR WITH INTERFERON-GAMMA DIMER
分子名称: INTERFERON GAMMA, INTERFERON-GAMMA RECEPTOR ALPHA CHAIN
著者Thiel, D.J, le Du, M.-H, Walter, R.L, D'Arcy, A, Chene, C, Fountoulakis, M, Garotta, G, Winkler, F.K, Ealick, S.E.
登録日2000-07-28
公開日2000-08-11
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Observation of an unexpected third receptor molecule in the crystal structure of human interferon-gamma receptor complex.
Structure Fold.Des., 8, 2000
8K3D
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BU of 8k3d by Molmil
Crystal structure of NRF1 DBD bound to DNA
分子名称: DNA (5'-D(*GP*GP*TP*GP*CP*GP*CP*AP*TP*GP*CP*GP*CP*AP*CP*C)-3'), Nuclear respiratory factor 1
著者Li, W.F, Liu, K, Min, J.R.
登録日2023-07-15
公開日2023-12-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular mechanism of specific DNA sequence recognition by NRF1.
Nucleic Acids Res., 52, 2024
8K5R
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CDK9/cyclin T1 in complex with KB-0742
分子名称: (1S,3S)-N3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine, Cyclin-T1, Cyclin-dependent kinase 9
著者Zhou, M, Li, H, Gao, H, Trotter, B.W, Freeman, D.
登録日2023-07-24
公開日2023-12-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.751 Å)
主引用文献Discovery of KB-0742, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of CDK9 for MYC-Dependent Cancers.
J.Med.Chem., 66, 2023
8K4L
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BU of 8k4l by Molmil
Crystal structure of NRF1 homodimer in complex with DNA
分子名称: DNA (14-MER), GLYCEROL, Nuclear respiratory factor 1
著者Liu, K, Li, W.F, Min, J.R.
登録日2023-07-19
公開日2023-12-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular mechanism of specific DNA sequence recognition by NRF1.
Nucleic Acids Res., 52, 2024
8E3K
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BU of 8e3k by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAAGTGGG)
分子名称: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
著者Terrell, J.R, Poon, G.M.K.
登録日2022-08-17
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8E5Y
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Human PU.1 ETS-Domain Bound to d(AATAAGCGGAAGTGGG) Acetate Free at pH 5.4
分子名称: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
著者Terrell, J.R, Poon, G.M.K.
登録日2022-08-22
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EBH
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BU of 8ebh by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAATGGGG)
分子名称: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*TP*GP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*CP*AP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), Transcription factor PU.1
著者Terrell, J.R, Poon, G.M.K.
登録日2022-08-31
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8VQ4
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CDK2-CyclinE1 in complex with allosteric inhibitor I-125A.
分子名称: (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
著者Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B.
登録日2024-01-17
公開日2024-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024

224931

件を2024-09-11に公開中

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