6K4E
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![BU of 6k4e by Molmil](/molmil-images/mine/6k4e) | SiaA-PP2C domain of Pseudomonas aeruginosa | Descriptor: | MAGNESIUM ION, Putative serine phosphatase | Authors: | Lin, J.Q, Lescar, J. | Deposit date: | 2019-05-23 | Release date: | 2019-06-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.094 Å) | Cite: | The SiaABC threonine phosphorylation pathway controls biofilm formation in response to carbon availability in Pseudomonas aeruginosa. Plos One, 15, 2020
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2P8H
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![BU of 2p8h by Molmil](/molmil-images/mine/2p8h) | Crystal structure of human beta secretase complexed with inhibitor | Descriptor: | Beta-secretase 1, N-{(1S,2S)-1-BENZYL-2-HYDROXY-2-[(4S)-1,2,2-TRIMETHYL-5-OXOIMIDAZOLIDIN-4-YL]ETHYL}-N'-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[METHYL(METHYLSULFONYL)AMINO]ISOPHTHALAMIDE | Authors: | Munshi, S. | Deposit date: | 2007-03-22 | Release date: | 2007-08-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and Synthesis of 2,3,5-Substituted Imidazolidin-4-one Inhibitors of BACE-1. Chemmedchem, 2, 2007
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6CWA
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4PXS
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4PX2
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![BU of 4px2 by Molmil](/molmil-images/mine/4px2) | Human GKRP bound to AMG2882 and Sorbitol-6-Phosphate | Descriptor: | D-SORBITOL-6-PHOSPHATE, GLYCEROL, Glucokinase regulatory protein, ... | Authors: | Jordan, S.R, Chmait, S. | Deposit date: | 2014-03-21 | Release date: | 2015-05-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery and Structure Guided Optimization of Diarylmethanesulfonamide Disruptors of GK-GKRP Binding To be Published
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4QKV
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4ETR
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![BU of 4etr by Molmil](/molmil-images/mine/4etr) | X-ray structure of PA2169 from Pseudomonas aeruginosa | Descriptor: | Putative uncharacterized protein | Authors: | Schnell, R, Sandalova, T, Lindqvist, Y, Schneider, G. | Deposit date: | 2012-04-24 | Release date: | 2013-01-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The AEROPATH project targeting Pseudomonas aeruginosa: crystallographic studies for assessment of potential targets in early-stage drug discovery. Acta Crystallogr.,Sect.F, 69, 2013
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4EFU
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![BU of 4efu by Molmil](/molmil-images/mine/4efu) | Hsp90 Alpha N-terminal Domain in Complex with an Inhibitor 6-Hydroxy-3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid benzyl-methyl-amide | Descriptor: | Heat shock protein HSP 90-alpha, N-benzyl-6-hydroxy-N-methyl-3-(3-methylbenzyl)-1H-indazole-5-carboxamide, SULFATE ION | Authors: | Musil, D, Lehmann, M, Graedler, U, Buchstaller, H.-P. | Deposit date: | 2012-03-30 | Release date: | 2012-06-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-based discovery of hydroxy-indazole-carboxamides as novel small molecule inhibitors of Hsp90 Bioorg.Med.Chem.Lett., 22, 2012
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4TRU
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4EXB
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2PUT
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![BU of 2put by Molmil](/molmil-images/mine/2put) | The crystal structure of isomerase domain of glucosamine-6-phosphate synthase from Candida albicans | Descriptor: | ACETATE ION, FRUCTOSE -6-PHOSPHATE, SODIUM ION, ... | Authors: | Raczynska, J, Olchowy, J, Milewski, S, Rypniewski, W. | Deposit date: | 2007-05-09 | Release date: | 2007-09-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Crystal and Solution Studies of Glucosamine-6-phosphate Synthase from Candida albicans J.Mol.Biol., 372, 2007
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4EI4
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![BU of 4ei4 by Molmil](/molmil-images/mine/4ei4) | JAK1 kinase (JH1 domain) in complex with compound 20 | Descriptor: | (1R,3R)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8H)-yl)cyclohexanol, Tyrosine-protein kinase JAK1 | Authors: | Eigenbrot, C, Steffek, M. | Deposit date: | 2012-04-04 | Release date: | 2012-07-04 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2. J.Med.Chem., 55, 2012
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4ES6
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4C57
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![BU of 4c57 by Molmil](/molmil-images/mine/4c57) | Structure of GAK kinase in complex with a nanobody | Descriptor: | (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, 1,2-ETHANEDIOL, Cyclin-G-associated kinase, ... | Authors: | Chaikuad, A, Keates, T, Krojer, T, Allerston, C.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Muller-Knapp, S. | Deposit date: | 2013-09-10 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structure of Cyclin G-Associated Kinase (Gak) Trapped in Different Conformations Using Nanobodies. Biochem.J., 459, 2014
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4S3H
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![BU of 4s3h by Molmil](/molmil-images/mine/4s3h) | Crystal structure of S. pombe Mdb1 FHA domain | Descriptor: | Mdb1, SULFATE ION | Authors: | Luo, S, Ye, K. | Deposit date: | 2015-01-26 | Release date: | 2015-07-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | Dimerization Mediated by a Divergent Forkhead-associated Domain Is Essential for the DNA Damage and Spindle Functions of Fission Yeast Mdb1. J.Biol.Chem., 290, 2015
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2OPM
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![BU of 2opm by Molmil](/molmil-images/mine/2opm) | Human Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-461 | Descriptor: | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, Farnesyl pyrophosphate synthetase (FPP synthetase) (FPS) (Farnesyl diphosphate synthetase) [Includes: Dimethylallyltranstransferase (EC 2.5.1.1); Geranyltranstransferase (EC 2.5.1.10)], MAGNESIUM ION, ... | Authors: | Cao, R, Gao, Y.G, Robinson, H, Goddard, A. | Deposit date: | 2007-01-29 | Release date: | 2007-12-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation. J.Am.Chem.Soc., 131, 2009
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4C58
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![BU of 4c58 by Molmil](/molmil-images/mine/4c58) | Structure of GAK kinase in complex with nanobody (NbGAK_4) | Descriptor: | 1,2-ETHANEDIOL, 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, Cyclin-G-associated kinase, ... | Authors: | Chaikuad, A, Keates, T, Allerston, C.K, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Muller-Knapp, S. | Deposit date: | 2013-09-10 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structure of cyclin G-associated kinase (GAK) trapped in different conformations using nanobodies. Biochem. J., 459, 2014
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2OXE
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![BU of 2oxe by Molmil](/molmil-images/mine/2oxe) | Structure of the Human Pancreatic Lipase-related Protein 2 | Descriptor: | CALCIUM ION, CHLORIDE ION, Pancreatic lipase-related protein 2, ... | Authors: | Walker, J.R, Davis, T, Seitova, A, Finerty Jr, P.J, Butler-Cole, C, Kozieradzki, I, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-02-20 | Release date: | 2007-03-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of human pancreatic lipase-related protein 2 with the lid in an open conformation. Biochemistry, 47, 2008
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4RYD
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4TOT
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4ROE
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![BU of 4roe by Molmil](/molmil-images/mine/4roe) | Human TFIIB-related factor 2 (Brf2) and TBP bound to RPPH1 promoter | Descriptor: | MAGNESIUM ION, Non-template strand, TATA-box-binding protein, ... | Authors: | Vannini, A, Gouge, J, Satia, K, Guthertz, N. | Deposit date: | 2014-10-28 | Release date: | 2015-12-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Redox Signaling by the RNA Polymerase III TFIIB-Related Factor Brf2. Cell(Cambridge,Mass.), 163, 2015
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4B2O
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![BU of 4b2o by Molmil](/molmil-images/mine/4b2o) | Crystal structure of Bacillus subtilis YmdB, a global regulator of late adaptive responses. | Descriptor: | FE (II) ION, PHOSPHATE ION, YMDB PHOSPHODIESTERASE | Authors: | Newman, J.A, Diethmaier, C, Kovacs, A.T, Rodrigues, C, Kuipers, O.P, Stulke, J, Lewis, R.J. | Deposit date: | 2012-07-17 | Release date: | 2013-07-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | The Ymdb Phosphodiesterase is a Global Regulator of Late Adaptive Responses in Bacillus Subtilis. J.Bacteriol., 196, 2014
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2P9H
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4TWP
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![BU of 4twp by Molmil](/molmil-images/mine/4twp) | The crystal structure of human abl1 T315I gatekeeper mutant kinase domain in complex with axitinib | Descriptor: | AXITINIB, NICKEL (II) ION, SODIUM ION, ... | Authors: | Johnson, E, McTigue, M, Cronin, C.N. | Deposit date: | 2014-07-01 | Release date: | 2015-02-11 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Axitinib effectively inhibits BCR-ABL1(T315I) with a distinct binding conformation. Nature, 519, 2015
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4F08
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