4IAD
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6Y6F
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![BU of 6y6f by Molmil](/molmil-images/mine/6y6f) | Crystal structure of STK17B (DRAK2) in complex with PKIS43 | Descriptor: | 1,2-ETHANEDIOL, 2-[6-(4-methylsulfanylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid, Serine/threonine-protein kinase 17B | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Drewry, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-26 | Release date: | 2020-03-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation. J.Med.Chem., 63, 2020
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2HEX
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6YG4
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2H4P
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2H50
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![BU of 2h50 by Molmil](/molmil-images/mine/2h50) | Multiple distinct assemblies reveal conformational flexibility in the small heat shock protein Hsp26 | Descriptor: | small heat shock protein Hsp26 | Authors: | White, H.E, Orlova, E.V, Chen, S, Wang, L, Ignatiou, A, Gowen, B, Stromer, T, Franzmann, T.M, Haslbeck, M, Buchner, J, Saibil, H.R. | Deposit date: | 2006-05-25 | Release date: | 2006-08-01 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (10.8 Å) | Cite: | Multiple distinct assemblies reveal conformational flexibility in the small heat shock protein hsp26 Structure, 14, 2006
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4HYH
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![BU of 4hyh by Molmil](/molmil-images/mine/4hyh) | X-RAY Crystal structure of compound 39 bound to human chk1 kinase domain | Descriptor: | 2-(6-methoxy-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[4-(piperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase Chk1 | Authors: | Fischmann, T.O. | Deposit date: | 2012-11-13 | Release date: | 2013-03-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-based design and optimization of 2-aminothiazole-4-carboxamide as a new class of CHK1 inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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6Y7X
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![BU of 6y7x by Molmil](/molmil-images/mine/6y7x) | Fragment KCL_771 in complex with MAP kinase p38-alpha | Descriptor: | (2-azanyl-2-adamantyl)methanol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ... | Authors: | De Nicola, G.F, Nichols, C.E. | Deposit date: | 2020-03-02 | Release date: | 2020-03-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 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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2LGC
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6YLC
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![BU of 6ylc by Molmil](/molmil-images/mine/6ylc) | Biochemical, Cellular and Structural Characterization of Novel ERK3 Inhibitors | Descriptor: | 5-fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile, Mitogen-activated protein kinase 6 | Authors: | Graedler, U. | Deposit date: | 2020-04-07 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Biochemical, cellular and structural characterization of novel and selective ERK3 inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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2H7T
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4IB0
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2GTM
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![BU of 2gtm by Molmil](/molmil-images/mine/2gtm) | Mutated Mouse P38 MAP Kinase Domain in complex with Inhibitor PG-892579 | Descriptor: | 8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM, Mitogen-activated protein kinase 14 | Authors: | Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Sabat, M. | Deposit date: | 2006-04-28 | Release date: | 2006-05-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-alpha production. Bioorg.Med.Chem.Lett., 16, 2006
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2HT7
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![BU of 2ht7 by Molmil](/molmil-images/mine/2ht7) | N8 neuraminidase in open complex with oseltamivir | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, Neuraminidase | Authors: | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2006-07-25 | Release date: | 2006-09-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design. Nature, 443, 2006
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6YKY
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![BU of 6yky by Molmil](/molmil-images/mine/6yky) | Biochemical, Cellular and Structural Characterization of Novel ERK3 Inhibitors | Descriptor: | 3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine, Mitogen-activated protein kinase 6 | Authors: | Graedler, U. | Deposit date: | 2020-04-06 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Biochemical, cellular and structural characterization of novel and selective ERK3 inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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6YLK
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![BU of 6ylk by Molmil](/molmil-images/mine/6ylk) | Cdk2(F80C) with Covalent Adduct TK22 at F80C | Descriptor: | Cyclin-dependent kinase 2, methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate | Authors: | Craven, G, Morgan, R.M.L, Mann, D.J. | Deposit date: | 2020-04-07 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT). Chembiochem, 21, 2020
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4IAZ
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2L0A
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![BU of 2l0a by Molmil](/molmil-images/mine/2l0a) | Solution NMR Structure of Signal transducing adapter molecule 1 STAM-1 from Homo sapiens, Northeast Structural Genomics Consortium Target HR4479E | Descriptor: | Signal transducing adapter molecule 1 | Authors: | Tang, Y, Janjua, H, Ciccosanti, C, Shastry, R, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-06-30 | Release date: | 2010-07-21 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Northeast Structural Genomics Consortium Target HR4479E To be Published
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2L9R
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![BU of 2l9r by Molmil](/molmil-images/mine/2l9r) | Solution NMR Structure of Homeobox domain of Homeobox protein Nkx-3.1 from homo sapiens, Northeast Structural Genomics Consortium Target HR6470A | Descriptor: | Homeobox protein Nkx-3.1 | Authors: | Liu, G, Xiao, R, Lee, H.-W, Hamilton, K, Ciccosanti, C, Wang, H.B, Acton, T.B, Everett, J.K, Huang, Y.J, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-02-22 | Release date: | 2011-04-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of Homeobox domain of Homeobox protein Nkx-3.1 from homo sapiens, Northeast Structural Genomics Consortium Target HR6470A To be Published
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2L1Y
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![BU of 2l1y by Molmil](/molmil-images/mine/2l1y) | NMR Structure of human insulin mutant GLY-B20-D-ALA, GLY-B23-D-ALA PRO-B28-LYS, LYS-B29-PRO, 20 Structures | Descriptor: | Insulin A chain, Insulin B chain | Authors: | Wan, Z.L, Hua, Q.X, Huang, K, Hu, S.Q, Philips, N.B, Katsoyannis, J.W, Weiss, M.A. | Deposit date: | 2010-08-09 | Release date: | 2011-08-31 | Method: | SOLUTION NMR | Cite: | Chiral Protein Engineering and its Application in G Health To be Published
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2L2N
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![BU of 2l2n by Molmil](/molmil-images/mine/2l2n) | Backbone 1H, 13C, and 15N Chemical Shift Assignments for the first dsRBD of protein HYL1 | Descriptor: | Hyponastic leave 1 | Authors: | Rasia, R.M, Mateos, J.L, Bologna, N.G, Burdisso, P, Imbert, L, Palatnik, J.F, Boisbouvier, J. | Deposit date: | 2010-08-23 | Release date: | 2010-09-29 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure and RNA Interactions of the Plant MicroRNA Processing-Associated Protein HYL1. Biochemistry, 49, 2010
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6Y8C
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2HS7
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2LGB
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![BU of 2lgb by Molmil](/molmil-images/mine/2lgb) | Modified A22Gly-B31Arg Human Insulin | Descriptor: | Insulin A chain, Insulin B chain | Authors: | Bocian, W, Kozerski, L. | Deposit date: | 2011-07-25 | Release date: | 2012-04-11 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Recombinant A22(G)-B31 (R)-human insulin. A22 addition introduces conformational mobility in B chain C-terminus. J.Biomol.Nmr, 52, 2012
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2HPF
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