PDB: 31063 resultsInfo pagesStatus searchChemie searchBIRD

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5VHB	Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitor Descriptor: N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha Authors: Judge, R.A. Deposit date: 2017-04-12 Release date: 2018-01-31 Last modified: 2018-04-04 Method: X-RAY DIFFRACTION (1.61 Å) Cite: Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate. Chembiochem, 19, 2018
2H4R	Crystal structure of wildtype MENT in the native conformation Descriptor: Heterochromatin-associated protein MENT Authors: Irving, J.A, Whisstock, J.C, Buckle, A.M, McGowan, S. Deposit date: 2006-05-25 Release date: 2006-07-18 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.7 Å) Cite: X-ray crystal structure of MENT: evidence for functional loop-sheet polymers in chromatin condensation. Embo J., 25, 2006
2JOF	The Trp-cage: Optimizing the Stability of a Globular Miniprotein Descriptor: TRP-CAGE Authors: Barua, B, Andersen, N.H. Deposit date: 2007-03-09 Release date: 2008-03-04 Last modified: 2024-05-08 Method: SOLUTION NMR Cite: The Trp-cage: optimizing the stability of a globular miniprotein Protein Eng.Des.Sel., 21, 2008
8Q8J	Crystal structure of human GPX4-R152H Descriptor: Glutathione peroxidase Authors: Napolitano, V, Mourao, A, Kolonko, M, Bostock, M.J, Sattler, M, Conrad, M, Popowicz, G. Deposit date: 2023-08-18 Release date: 2024-08-28 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of human GPX4-R152H To Be Published
1T96	r106g kdo8ps with pep Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, PHOSPHATE ION, ... Authors: Gatti, D.L. Deposit date: 2004-05-14 Release date: 2005-06-14 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase. To be Published
8S0P	A fragment-based inhibitor of SHP2 Descriptor: 1-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-4-methyl-piperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-14 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (2 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8S0O	A fragment-based inhibitor of SHP2 Descriptor: 3-[4-chloranyl-2-(1H-pyrazol-4-ylmethyl)indazol-5-yl]-5-methyl-6-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine, FORMIC ACID, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-14 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.834 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8S0J	A fragment-based inhibitor of SHP2 Descriptor: 3-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]propan-1-amine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-14 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8RZW	A fragment-based inhibitor of SHP2 Descriptor: 3,5-bis(chloranyl)pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-13 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (2.02 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8S06	A fragment-based inhibitor of SHP2 Descriptor: 1H-pyrrolo[3,2-b]pyridin-7-amine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-13 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (2.19 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8RZY	A fragment-based inhibitor of SHP2 Descriptor: 1H-pyrrolo[3,2-b]pyridin-5-amine, DIMETHYL SULFOXIDE, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-13 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.91 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8S07	A fragment-based inhibitor of SHP2 Descriptor: 7-azanyl-N-pyridin-3-yl-3H-pyrrolo[3,2-b]pyridine-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... Authors: Cleasby, A, Price, A. Deposit date: 2024-02-13 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.83 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
1XU8	The 2.8 A structure of a tumour suppressing serpin Descriptor: Maspin, SULFATE ION Authors: Irving, J.A, Law, R.H, Ruzyla, K, Bashtannyk-Puhalovich, T.A, Kim, N, Worrall, D.M, Rossjohn, J, Whisstock, J.C. Deposit date: 2004-10-25 Release date: 2005-03-15 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.8 Å) Cite: The high resolution crystal structure of the human tumor suppressor maspin reveals a novel conformational switch in the G-helix. J.Biol.Chem., 280, 2005
8S01	A fragment-based inhibitor of SHP2 Descriptor: 3-(4-chlorophenyl)-1H-pyrazole, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-13 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (2.17 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8S0I	A fragment-based inhibitor of SHP2 Descriptor: 3-phenyl-1H-pyrrolo[3,2-b]pyridine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-14 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.929 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8S0Q	A fragment-based inhibitor of SHP2 Descriptor: (1S,5R)-8-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-8-azabicyclo[3.2.1]octan-3-amine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-14 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.872 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8S0K	A fragment-based inhibitor of SHP2 Descriptor: 3-[2,3-bis(chloranyl)phenyl]-5-methyl-6-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-14 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8S0S	A fragment-based inhibitor of SHP2 Descriptor: (1R,5S)-8-[7-(4-chloranyl-2-methyl-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-14 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8S04	A fragment-based inhibitor of SHP2 Descriptor: N-(1H-indol-7-yl)methanesulfonamide, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-13 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8S0H	A fragment-based inhibitor of SHP2 Descriptor: 5-(aminomethyl)-N-(3-chloranyl-1-methyl-indol-7-yl)-1,3-dihydroisoindole-2-sulfonamide, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-14 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.99 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
1T99	r106g kdo8ps without substrates Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, PHOSPHATE ION Authors: Gatti, D.L. Deposit date: 2004-05-16 Release date: 2005-06-14 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase. To be Published
1T8X	r106g kdo8ps with pep and a5p Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase, ARABINOSE-5-PHOSPHATE, CADMIUM ION, ... Authors: Gatti, D.L. Deposit date: 2004-05-13 Release date: 2005-06-14 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase. To be Published
5CE0	Crystal structure of conserpin with Z-mutation Descriptor: Native conserpin with Z-variant (E342K) Authors: Porebski, B.T, McGowan, S, Keleher, S, Buckle, A.M. Deposit date: 2015-07-06 Release date: 2016-07-20 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Smoothing a rugged protein folding landscape by sequence-based redesign. Sci Rep, 6, 2016
1HBO	METHYL-COENZYME M REDUCTASE MCR-RED1-SILENT Descriptor: 1-THIOETHANESULFONIC ACID, CHLORIDE ION, Coenzyme B, ... Authors: Grabarse, W. Deposit date: 2001-04-20 Release date: 2001-08-16 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.78 Å) Cite: On the Mechanism of Biological Methane Formation: Structural Evidence for Conformational Changes in Methyl-Coenzyme M Reductase Upon Substrate Binding J.Mol.Biol., 309, 2001
1MHH	Structure of P. magnus protein L mutant bound to a mouse Fab Descriptor: 1,2-ETHANEDIOL, Fab, heavy chain, ... Authors: Graille, M, Stura, E.A. Deposit date: 2002-08-20 Release date: 2003-01-14 Last modified: 2018-01-03 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Evidence for plasticity and structural mimicry at the immunoglobulin light chain-protein L interface J.Biol.Chem., 277, 2002

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