4E6D
| JAK2 kinase (JH1 domain) triple mutant in complex with compound 7 | Descriptor: | 3-[(3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl]-3-oxopropanenitrile, GLYCEROL, Tyrosine-protein kinase JAK2 | Authors: | Murray, J.M. | Deposit date: | 2012-03-15 | Release date: | 2012-05-30 | Last modified: | 2023-03-01 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
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4EH7
| Human p38 MAP kinase in complex with NP-F6 and RL87 | Descriptor: | (3-phenoxyphenyl)methanol, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | Deposit date: | 2012-04-02 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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4NBL
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4EK2
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4EDZ
| Crystal structure of hH-PGDS with water displacing inhibitor | Descriptor: | 4-(3-methylisoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide, GLUTATHIONE, Hematopoietic prostaglandin D synthase, ... | Authors: | Day, J.E, Thorarensen, A, Trujillo, J.I. | Deposit date: | 2012-03-27 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters. Bioorg.Med.Chem.Lett., 22, 2012
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4EED
| CorA coiled-coil mutant under Mg2+ presence | Descriptor: | MAGNESIUM ION, Magnesium transport protein CorA | Authors: | Pfoh, R, Pai, E.F. | Deposit date: | 2012-03-28 | Release date: | 2012-11-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.92 Å) | Cite: | Structural asymmetry in the magnesium channel CorA points to sequential allosteric regulation. Proc.Natl.Acad.Sci.USA, 109, 2012
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4MVY
| Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea (Chem 1387) | Descriptor: | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.314 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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4EGF
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4N41
| Structure of Thermus thermophilus Argonaute bound to guide DNA and 15-mer target DNA | Descriptor: | 5'-D(*AP*AP*CP*CP*TP*AP*CP*TP*GP*CP*CP*TP*CP*G)-3', 5'-D(P*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3', 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*T*GP*TP*AP*TP*AP*GP*T)-3', ... | Authors: | Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y. | Deposit date: | 2013-10-08 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.248 Å) | Cite: | Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage. Proc.Natl.Acad.Sci.USA, 111, 2014
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4EI7
| Crystal structure of Bacillus cereus TubZ, GDP-form | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Plasmid replication protein RepX | Authors: | Hayashi, I, Hoshino, S. | Deposit date: | 2012-04-05 | Release date: | 2012-08-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Filament formation of the FtsZ/tubulin-like protein TubZ from the Bacillus cereus pXO1 plasmid. J.Biol.Chem., 287, 2012
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4N5J
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4MZZ
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4N71
| X-Ray Crystal Structure of 2-amino-1-hydroxyethylphosphonate-bound PhnZ | Descriptor: | FE (III) ION, Predicted HD phosphohydrolase PhnZ, [(1R)-2-amino-1-hydroxyethyl]phosphonic acid | Authors: | Woersdoerfer, B, Lingaraju, M, Yennawar, N, Boal, A.K, Krebs, C, Bollinger Jr, J.M, Pandelia, M.-E. | Deposit date: | 2013-10-14 | Release date: | 2013-11-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.984 Å) | Cite: | Organophosphonate-degrading PhnZ reveals an emerging family of HD domain mixed-valent diiron oxygenases. Proc.Natl.Acad.Sci.USA, 110, 2013
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4N9P
| Crystal structure of Staphylococcal nuclease variant Delta+PHS V23T/L25A/V99T at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2013-10-21 | Release date: | 2013-12-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Cavities in proteins To be Published
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4EQO
| Crystal structure of Staphylococcal nuclease variant Delta+PHS V99D at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Robinson, A.C, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2012-04-19 | Release date: | 2012-05-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.697 Å) | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS V99D at cryogenic temperature To be Published
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4MSW
| Y78 ester mutant of KcsA in high K+ | Descriptor: | ANTIBODY FAB FRAGMENT HEAVY CHAIN, ANTIBODY FAB FRAGMENT LIGHT CHAIN, DIACYL GLYCEROL, ... | Authors: | Matulef, K, Valiyaveetil, F.I. | Deposit date: | 2013-09-18 | Release date: | 2013-10-30 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Using protein backbone mutagenesis to dissect the link between ion occupancy and C-type inactivation in K+ channels. Proc.Natl.Acad.Sci.USA, 110, 2013
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4ERS
| A Molecular Basis for Negative Regulation of the Glucagon Receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ... | Authors: | Murray, J.M, Koth, C.M, Mukund, S. | Deposit date: | 2012-04-20 | Release date: | 2012-08-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.637 Å) | Cite: | Molecular basis for negative regulation of the glucagon receptor. Proc.Natl.Acad.Sci.USA, 109, 2012
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4ER3
| Crystal Structure of Human DOT1L in complex with inhibitor EPZ004777 | Descriptor: | 1,2-ETHANEDIOL, 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, ... | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-04-19 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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4N64
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4ERZ
| X-ray structure of WDR5-MLL4 Win motif peptide binary complex | Descriptor: | Histone-lysine N-methyltransferase MLL4, WD repeat-containing protein 5 | Authors: | Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S. | Deposit date: | 2012-04-21 | Release date: | 2012-05-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases. J.Biol.Chem., 287, 2012
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4MW1
| Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1444) | Descriptor: | 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.494 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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4ETQ
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4N7N
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4EYA
| Crystal Structure of a Plectonemic RNA Supercoil | Descriptor: | GLYCEROL, N utilization substance protein B homolog, RNA (5'-R(*GP*GP*CP*UP*CP*CP*UP*UP*GP*GP*CP*A)-3'), ... | Authors: | Stagno, J.R, Ji, X. | Deposit date: | 2012-05-01 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of a plectonemic RNA supercoil. Nat Commun, 3, 2012
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4EX4
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