5IIS
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![BU of 5iis by Molmil](/molmil-images/mine/5iis) | Design, synthesis and structure activity relationship of potent pan-PIM kinase inhibitors derived from the pyridyl-amide scaffold | Descriptor: | 3-amino-N-(2'-amino-6'-methyl[4,4'-bipyridin]-3-yl)-6-(2-fluorophenyl)pyridine-2-carboxamide, DI(HYDROXYETHYL)ETHER, Serine/threonine-protein kinase pim-1 | Authors: | Bellamacina, C, Bussiere, D, Burger, M. | Deposit date: | 2016-03-01 | Release date: | 2016-04-06 | Last modified: | 2016-05-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design, synthesis and structure activity relationship of potent pan-PIM kinase inhibitors derived from the pyridyl carboxamide scaffold. Bioorg.Med.Chem.Lett., 26, 2016
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7Z6B
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8A2C
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![BU of 8a2c by Molmil](/molmil-images/mine/8a2c) | The crystal structure of the S178A mutant of PET40, a PETase enzyme from an unclassified Amycolatopsis | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Costanzi, E, Applegate, V, Port, A, Smits, S.H.J. | Deposit date: | 2022-06-03 | Release date: | 2023-06-14 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The metagenome-derived esterase PET40 is highly promiscuous and hydrolyses polyethylene terephthalate (PET). Febs J., 291, 2024
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2V05
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2V04
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![BU of 2v04 by Molmil](/molmil-images/mine/2v04) | CRYSTAL STRUCTURE OF CHOLINE BINDING PROTEIN F FROM STREPTOCOCCUS PNEUMONIAE | Descriptor: | CHOLINE BINDING PROTEIN F, CHOLINE ION | Authors: | Hermoso, J, Molina, R, Kahn, R, Stelter, M. | Deposit date: | 2007-05-08 | Release date: | 2008-06-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Cbpf, a Bifunctional Choline-Binding Protein and Autolysis Regulator from Streptococcus Pneumoniae. Embo Rep., 10, 2009
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6EXZ
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![BU of 6exz by Molmil](/molmil-images/mine/6exz) | Crystal structure of Mex67 C-term | Descriptor: | FORMIC ACID, mRNA export factor MEX67 | Authors: | Mohamad, N, Bravo, J. | Deposit date: | 2017-11-10 | Release date: | 2018-11-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Mip6 binds directly to the Mex67 UBA domain to maintain low levels of Msn2/4 stress-dependent mRNAs. Embo Rep., 2019
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6CCY
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![BU of 6ccy by Molmil](/molmil-images/mine/6ccy) | Crystal structure of Akt1 in complex with a selective inhibitor | Descriptor: | (5R)-4-(4-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-imidazol-2-yl}piperidin-1-yl)-5-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one, RAC-alpha serine/threonine-protein kinase,PIFtide | Authors: | Wang, Y, Stout, S. | Deposit date: | 2018-02-07 | Release date: | 2018-05-02 | Last modified: | 2018-05-16 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Discovery of chiral dihydropyridopyrimidinones as potent, selective and orally bioavailable inhibitors of AKT. Bioorg. Med. Chem. Lett., 28, 2018
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5LQQ
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![BU of 5lqq by Molmil](/molmil-images/mine/5lqq) | Structure of Autotaxin (ENPP2) with LM350 | Descriptor: | 3-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl)sulfanylbenzoic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | Authors: | Keune, W.J, Heidebrecht, T, Castelmur, E, Joosten, R.P, Perrakis, A. | Deposit date: | 2016-08-17 | Release date: | 2016-12-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Activity Relationships of Small Molecule Autotaxin Inhibitors with a Discrete Binding Mode. J. Med. Chem., 60, 2017
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7Q4T
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7Q4S
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2X8P
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![BU of 2x8p by Molmil](/molmil-images/mine/2x8p) | Crystal Structure of CbpF in Complex with Atropine by Co- Crystallization | Descriptor: | (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE, CHOLINE ION, CHOLINE-BINDING PROTEIN F, ... | Authors: | Silva-Martin, N, Hermoso, J.A. | Deposit date: | 2010-03-10 | Release date: | 2011-04-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystal Structures of Cbpf Complexed with Atropine and Ipratropium Reveal Clues for the Design of Novel Antimicrobials Against Streptococcus Pneumoniae. Biochim.Biophys.Acta, 1840, 2013
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2X8M
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2JTO
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![BU of 2jto by Molmil](/molmil-images/mine/2jto) | Solution Structure of Tick Carboxypeptidase Inhibitor | Descriptor: | Carboxypeptidase inhibitor | Authors: | Pantoja-Uceda, D, Blanco, F.J. | Deposit date: | 2007-08-03 | Release date: | 2008-07-15 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | The NMR structure and dynamics of the two-domain tick carboxypeptidase inhibitor reveal flexibility in its free form and stiffness upon binding to human carboxypeptidase B. Biochemistry, 47, 2008
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