PDB: 47038 resultsInfo pagesStatus searchChemie searchBIRD

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1VQJ	GENE V PROTEIN MUTANT WITH VAL 35 REPLACED BY ILE 35 (V35I) Descriptor: GENE V PROTEIN Authors: Zhang, H, Skinner, M.M, Sandberg, W.S, Wang, A.H.-J, Terwilliger, T.C. Deposit date: 1996-08-14 Release date: 1997-02-12 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Context dependence of mutational effects in a protein: the crystal structures of the V35I, I47V and V35I/I47V gene V protein core mutants. J.Mol.Biol., 259, 1996
5O8U	Covalent Inhibitor 4b bound to the Lipid Pocket of p38alpha Mutant S252C Descriptor: 4-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]butan-2-one, Mitogen-activated protein kinase 14 Authors: Buehrmann, M, Rauh, D. Deposit date: 2017-06-14 Release date: 2017-09-06 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Covalent Lipid Pocket Ligands Targeting p38 alpha MAPK Mutants. Angew. Chem. Int. Ed. Engl., 56, 2017
2CLX	4-Arylazo-3,5-diamino-1H-pyrazole CDK Inhibitors: SAR Study, Crystal Structure in Complex with CDK2, Selectivity, and Cellular Effects Descriptor: 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL, CELL DIVISION PROTEIN KINASE 2 Authors: Krystof, V, Cankar, P, Frysova, I, Slouka, J, Kontopidis, G, Dzubak, P, Hajduch, M, Deazevedo, W.F, Paprskarova, M, Orsag, M, Rolcik, J, Latr, A, Fischer, P.M, Strnad, M. Deposit date: 2006-05-02 Release date: 2006-11-01 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.8 Å) Cite: 4-Arylazo-3,5-Diamino-1H-Pyrazole Cdk Inhibitors: Sar Study, Crystal Structure in Complex with Cdk2, Selectivity, and Cellular Effects J.Med.Chem., 49, 2006
2C6M	Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor Descriptor: 4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 Authors: Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. Deposit date: 2005-11-10 Release date: 2005-12-07 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Triazolo[1,5-A]Pyrimidines as Novel Cdk2 Inhibitors: Protein Structure-Guided Design and Sar. Bioorg.Med.Chem.Lett., 16, 2006
5O8V	Covalent Inhibitor 4a bound to the Lipid Pocket of p38alpha Mutant S251C Descriptor: Mitogen-activated protein kinase 14, ~{N}-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]propanamide Authors: Buehrmann, M, Rauh, D. Deposit date: 2017-06-14 Release date: 2017-09-06 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (2 Å) Cite: Covalent Lipid Pocket Ligands Targeting p38 alpha MAPK Mutants. Angew. Chem. Int. Ed. Engl., 56, 2017
5O90	Crystal structure of a P38alpha T185G mutant in complex with TAB1 peptide. Descriptor: 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, Mitogen-activated protein kinase 14, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 Authors: Nichols, C.E, De Nicola, G.F, Thapa, D. Deposit date: 2017-06-15 Release date: 2018-01-31 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.49 Å) Cite: TAB1-Induced Autoactivation of p38 alpha Mitogen-Activated Protein Kinase Is Crucially Dependent on Threonine 185. Mol. Cell. Biol., 38, 2018
5OMG	p38alpha in complex with pyrazolobenzothiazine inhibitor COXP4M12 Descriptor: 3-(4-fluorophenyl)-4-methyl-1~{H}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside Authors: Buehrmann, M, Rauh, D. Deposit date: 2017-07-31 Release date: 2019-03-13 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2 Å) Cite: Co-crystal structure determination and cellular evaluation of 1,4-dihydropyrazolo[4,3-c] [1,2] benzothiazine 5,5-dioxide p38 alpha MAPK inhibitors. Biochem.Biophys.Res.Commun., 511, 2019
5FTK	Cryo-EM structure of human p97 bound to ADP Descriptor: ADENOSINE-5'-DIPHOSPHATE, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE Authors: Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S. Deposit date: 2016-01-14 Release date: 2016-01-27 Last modified: 2024-05-08 Method: ELECTRON MICROSCOPY (2.4 Å) Cite: 2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition Science, 351, 2016
9AX8	70S initiation complex (tRNA-fMet M1, initiation factor 2 + CUG start codon) Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... Authors: Mattingly, J.M, Nguyen, H.A, Dunham, C.M. Deposit date: 2024-03-06 Release date: 2024-09-18 Last modified: 2024-10-23 Method: ELECTRON MICROSCOPY (2.6 Å) Cite: Structural analysis of noncanonical translation initiation complexes. J.Biol.Chem., 300, 2024
2EXU	Crystal Structure of Saccharomyces cerevisiae transcription elongation factors Spt4-Spt5NGN domain Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ETHANOL, Transcription initiation protein SPT4/SPT5, ... Authors: Xu, F, Guo, M, Fang, P, Teng, M, Niu, L. Deposit date: 2005-11-08 Release date: 2006-11-08 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Crystal Structure of Saccharomyces cerevisiae transcription elongation factors Spt4-Spt5NGN domain To be published
1VQG	GENE V PROTEIN MUTANT WITH ILE 47 REPLACED BY LEU 47 (I47L) Descriptor: GENE V PROTEIN Authors: Skinner, M.M, Terwilliger, T.C. Deposit date: 1996-08-14 Release date: 1997-02-12 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Potential use of additivity of mutational effects in simplifying protein engineering. Proc.Natl.Acad.Sci.USA, 93, 1996
1VQI	GENE V PROTEIN MUTANT WITH ILE 47 REPLACED BY VAL 47 (I47V) Descriptor: GENE V PROTEIN Authors: Zhang, H, Skinner, M.M, Sandberg, W.S, Wang, A.H.-J, Terwilliger, T.C. Deposit date: 1996-08-14 Release date: 1997-02-12 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Context dependence of mutational effects in a protein: the crystal structures of the V35I, I47V and V35I/I47V gene V protein core mutants. J.Mol.Biol., 259, 1996
1VQD	GENE V PROTEIN MUTANT WITH VAL 35 REPLACED BY ILE 35 AND ILE 47 REPLACED BY LEU 47 (V35I, I47L) Descriptor: GENE V PROTEIN Authors: Skinner, M.M, Terwilliger, T.C. Deposit date: 1996-08-14 Release date: 1997-02-12 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Potential use of additivity of mutational effects in simplifying protein engineering. Proc.Natl.Acad.Sci.USA, 93, 1996
1VQF	GENE V PROTEIN MUTANT WITH VAL 35 REPLACED BY ILE 35 AND ILE 47 REPLACED BY VAL 47 (V35I, I47V) Descriptor: GENE V PROTEIN Authors: Zhang, H, Skinner, M.M, Sandberg, W.S, Wang, A.H.-J, Terwilliger, T.C. Deposit date: 1996-08-14 Release date: 1997-02-12 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Context dependence of mutational effects in a protein: the crystal structures of the V35I, I47V and V35I/I47V gene V protein core mutants. J.Mol.Biol., 259, 1996
1VQE	GENE V PROTEIN MUTANT WITH VAL 35 REPLACED BY ILE 35 AND ILE 47 REPLACED BY MET 47 (V35I, I47M) Descriptor: GENE V PROTEIN Authors: Skinner, M.M, Terwilliger, T.C. Deposit date: 1996-08-14 Release date: 1997-02-12 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Potential use of additivity of mutational effects in simplifying protein engineering. Proc.Natl.Acad.Sci.USA, 93, 1996
1VQC	GENE V PROTEIN MUTANT WITH VAL 35 REPLACED BY ILE 35 AND ILE 47 REPLACED BY PHE 47 (V35I, I47F) Descriptor: GENE V PROTEIN Authors: Skinner, M.M, Terwilliger, T.C. Deposit date: 1996-08-14 Release date: 1997-02-12 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Potential use of additivity of mutational effects in simplifying protein engineering. Proc.Natl.Acad.Sci.USA, 93, 1996
5KF6	Structure of proline utilization A from Sinorhizobium meliloti complexed with L-tetrahydrofuroic acid and NAD+ in space group P21 Descriptor: Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... Authors: Tanner, J.J. Deposit date: 2016-06-12 Release date: 2016-10-05 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structures of Proline Utilization A (PutA) Reveal the Fold and Functions of the Aldehyde Dehydrogenase Superfamily Domain of Unknown Function. J.Biol.Chem., 291, 2016
4O0M	Crystal structure of T. Elongatus BP-1 Clock Protein KaiC Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, MAGNESIUM ION Authors: Pattanayek, R, Egli, M. Deposit date: 2013-12-13 Release date: 2014-05-14 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (2.84 Å) Cite: An arginine tetrad as mediator of input-dependent and input-independent ATPases in the clock protein KaiC Acta Crystallogr.,Sect.D, D70, 2014
2FVD	Cyclin Dependent Kinase 2 (CDK2) with diaminopyrimidine inhibitor Descriptor: (4-AMINO-2-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}PYRIMIDIN-5-YL)(2,3-DIFLUORO-6-METHOXYPHENYL)METHANONE, Cell division protein kinase 2 Authors: Crowther, R.L, Lukacs, C.M, Kammlott, R.U. Deposit date: 2006-01-30 Release date: 2006-10-10 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Discovery of [4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2,3-difluoro-6- methoxyphenyl)methanone (R547), a potent and selective cyclin-dependent kinase inhibitor with significant in vivo antitumor activity. J.Med.Chem., 49, 2006
5R8V	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N09139b in complex with MAP kinase p38-alpha Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-04 Release date: 2020-07-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.479 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
5R9A	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13838a in complex with MAP kinase p38-alpha Descriptor: 4-benzamido-2-methyl-pyrazole-3-carboxamide, CHLORIDE ION, GLYCEROL, ... Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-04 Release date: 2020-07-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.53 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
5R9Q	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N07422b in complex with MAP kinase p38-alpha Descriptor: 1-phenylmethoxyurea, CHLORIDE ION, Mitogen-activated protein kinase 14, ... Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-04 Release date: 2020-07-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.645 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
5RA5	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N11302a in complex with MAP kinase p38-alpha Descriptor: (1~{S},5~{R})-8-methyl-8-azabicyclo[3.2.1]octan-3-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-04 Release date: 2020-07-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
5R93	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL077 in complex with MAP kinase p38-alpha Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-04 Release date: 2020-07-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.489 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
5R9K	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N14246a in complex with MAP kinase p38-alpha Descriptor: 2,3-dihydro-1-benzoxepine-5-carboxylic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-04 Release date: 2020-07-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.498 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020

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