1HF0
 
 | | Crystal structure of the DNA-binding domain of Oct-1 bound to DNA as a dimer | | Descriptor: | 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 | | Authors: | Remenyi, A, Tomilin, A, Pohl, E, Scholer, H.R, Wilmanns, M. | | Deposit date: | 2000-11-27 | | Release date: | 2001-11-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Differential Dimer Activities of the Transcription Factor Oct-1 by DNA-Induced Interface Swapping
Mol.Cell, 8, 2001
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8E96
 | | Glycine and glutamate bound Human GluN1a-GluN2D NMDA receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, GLYCINE, ... | | Authors: | Kang, H, Furukawa, H. | | Deposit date: | 2022-08-26 | | Release date: | 2022-12-07 | | Last modified: | 2022-12-14 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | Structural insights into assembly and function of GluN1-2C, GluN1-2A-2C, and GluN1-2D NMDARs.
Mol.Cell, 82, 2022
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8JN8
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8JN9
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4ACC
 | | GSK3b in complex with inhibitor | | Descriptor: | 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, DIMETHYL SULFOXIDE, GLYCOGEN SYNTHASE KINASE-3 BETA | | Authors: | Xue, Y, Ormo, M. | | Deposit date: | 2011-12-14 | | Release date: | 2012-05-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | 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
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4ACH
 | | GSK3b in complex with inhibitor | | Descriptor: | 3-AMINO-N-(3-METHOXYPROPYL)-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}PYRAZINE-2-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA | | Authors: | Xue, Y, Ormo, M. | | Deposit date: | 2011-12-15 | | Release date: | 2012-05-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 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
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8DSD
 | | Human NAMPT in complex with substrate NAM and small molecule activator NP-A1-S | | Descriptor: | (3S)-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.429 Å) | | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
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8DSH
 | | Human NAMPT in complex with quercitrin and AMPcP | | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, Nicotinamide phosphoribosyltransferase, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER | | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
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8DTJ
 | | Human NAMPT in complex with small molecule activator ZN-43-S | | Descriptor: | (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, ... | | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | Deposit date: | 2022-07-25 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.118 Å) | | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
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8DSI
 | | Human NAMPT in complex with substrate NAM | | Descriptor: | CHLORIDE ION, GLYCEROL, NICOTINAMIDE, ... | | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
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8DSC
 | | Human NAMPT in complex with substrate NAM and small molecule activator NP-A1-R | | Descriptor: | (3R)-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.321 Å) | | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
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8DSE
 | | Human NAMPT in complex with substrate NAM and activator quercitrin | | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, CHLORIDE ION, NICOTINAMIDE, ... | | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.428 Å) | | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
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1CXZ
 | | CRYSTAL STRUCTURE OF HUMAN RHOA COMPLEXED WITH THE EFFECTOR DOMAIN OF THE PROTEIN KINASE PKN/PRK1 | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, PROTEIN (HIS-TAGGED TRANSFORMING PROTEIN RHOA(0-181)), ... | | Authors: | Maesaki, R, Ihara, K, Shimizu, T, Kuroda, S, Kaibuchi, K, Hakoshima, T. | | Deposit date: | 1999-08-31 | | Release date: | 1999-10-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 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
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8DNH
 | | Cryo-EM structure of nonmuscle beta-actin | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | | Authors: | Arora, A.S, Huang, H.L, Heissler, S.M, Chinthalapudi, K. | | Deposit date: | 2022-07-11 | | Release date: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (2.99 Å) | | Cite: | Structural insights into actin isoforms.
Elife, 12, 2023
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6EWW
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6F08
 | | 14-3-3 zeta in complex with the human Son of sevenless homolog 1 (SOS1) | | Descriptor: | 14-3-3 protein zeta/delta, PENTAETHYLENE GLYCOL, Son of sevenless homolog 1 | | Authors: | Ballone, A, Centorrino, F, Ottmann, C, Guo, S, Leysen, S. | | Deposit date: | 2017-11-17 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural characterization of 14-3-3 zeta in complex with the human Son of sevenless homolog 1 (SOS1).
J. Struct. Biol., 202, 2018
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5U5S
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1FG9
 | | 3:1 COMPLEX OF INTERFERON-GAMMA RECEPTOR WITH INTERFERON-GAMMA DIMER | | Descriptor: | INTERFERON GAMMA, INTERFERON-GAMMA RECEPTOR ALPHA CHAIN | | Authors: | 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. | | Deposit date: | 2000-07-28 | | Release date: | 2000-08-11 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Observation of an unexpected third receptor molecule in the crystal structure of human interferon-gamma receptor complex.
Structure Fold.Des., 8, 2000
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8K3D
 | | Crystal structure of NRF1 DBD bound to DNA | | Descriptor: | DNA (5'-D(*GP*GP*TP*GP*CP*GP*CP*AP*TP*GP*CP*GP*CP*AP*CP*C)-3'), Nuclear respiratory factor 1 | | Authors: | Li, W.F, Liu, K, Min, J.R. | | Deposit date: | 2023-07-15 | | Release date: | 2023-12-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular mechanism of specific DNA sequence recognition by NRF1.
Nucleic Acids Res., 52, 2024
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8K5R
 | | CDK9/cyclin T1 in complex with KB-0742 | | Descriptor: | (1S,3S)-N3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine, Cyclin-T1, Cyclin-dependent kinase 9 | | Authors: | Zhou, M, Li, H, Gao, H, Trotter, B.W, Freeman, D. | | Deposit date: | 2023-07-24 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.751 Å) | | Cite: | Discovery of KB-0742, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of CDK9 for MYC-Dependent Cancers.
J.Med.Chem., 66, 2023
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8K4L
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8E3K
 | | Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAAGTGGG) | | Descriptor: | 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, ... | | Authors: | Terrell, J.R, Poon, G.M.K. | | Deposit date: | 2022-08-17 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
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8E5Y
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8EBH
 | | Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAATGGGG) | | Descriptor: | 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 | | Authors: | Terrell, J.R, Poon, G.M.K. | | Deposit date: | 2022-08-31 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
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8VQ4
 | | CDK2-CyclinE1 in complex with allosteric inhibitor I-125A. | | Descriptor: | (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 | | Authors: | 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. | | Deposit date: | 2024-01-17 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
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