3DZO
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![BU of 3dzo by Molmil](/molmil-images/mine/3dzo) | Crystal structure of a rhoptry kinase from toxoplasma gondii | Descriptor: | MAGNESIUM ION, Rhoptry kinase domain | Authors: | Wernimont, A.K, Lam, A, Ali, A, Lin, Y.H, Ni, S, Ravichandran, M, Wasney, G, Vedadi, M, Kozieradzki, I, Schapira, M, Bochkarev, A, Wilkstrom, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Sibley, D, Hui, R, Qiu, W, Structural Genomics Consortium (SGC) | Deposit date: | 2008-07-30 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Novel structural and regulatory features of rhoptry secretory kinases in Toxoplasma gondii. Embo J., 28, 2009
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5IJX
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6DD5
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![BU of 6dd5 by Molmil](/molmil-images/mine/6dd5) | Crystal Structure of the Cas6 Domain of Marinomonas mediterranea MMB-1 Cas6-RT-Cas1 Fusion Protein | Descriptor: | GLYCEROL, MMB-1 Cas6 Fused to Maltose Binding Protein,CRISPR-associated endonuclease Cas1, SULFATE ION, ... | Authors: | Stamos, J.L, Mohr, G, Silas, S, Makarova, K.S, Markham, L.M, Yao, J, Lucas-Elio, P, Sanchez-Amat, A, Fire, A.Z, Koonin, E.V, Lambowitz, A.M. | Deposit date: | 2018-05-09 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A Reverse Transcriptase-Cas1 Fusion Protein Contains a Cas6 Domain Required for Both CRISPR RNA Biogenesis and RNA Spacer Acquisition. Mol. Cell, 72, 2018
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4UWI
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![BU of 4uwi by Molmil](/molmil-images/mine/4uwi) | Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand | Descriptor: | 2,6-dichloro-4-[3-(4-methylpiperazin-1-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | Authors: | Robinson, D.A, Brand, S, Norcross, N.R, Thompson, S, Harrison, J.R, Smith, V.C, Torrie, L.S, McElroy, S.P, Hallyburton, I, Norval, S, Stojanovski, L, Simeons, F.R.C, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Wyatt, P.G, Gilbert, I.H, Read, K.D. | Deposit date: | 2014-08-12 | Release date: | 2014-12-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis. J. Med. Chem., 57, 2014
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4UWJ
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![BU of 4uwj by Molmil](/molmil-images/mine/4uwj) | Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a capped pyrazole sulphonamide ligand | Descriptor: | 2,6-dichloro-N-(difluoromethyl)-4-[3-(piperidin-4-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | Authors: | Robinson, D.A, Brand, S, Norcross, N.R, Thompson, S, Harrison, J.R, Smith, V.C, Torrie, L.S, McElroy, S.P, Hallyburton, I, Norval, S, Stojanovski, L, Simeons, F.R.C, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Wyatt, P.G, Gilbert, I.H, Read, K.D. | Deposit date: | 2014-08-12 | Release date: | 2014-12-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis. J. Med. Chem., 57, 2014
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6DQI
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6DQP
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2RKJ
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![BU of 2rkj by Molmil](/molmil-images/mine/2rkj) | Cocrystal structure of a tyrosyl-tRNA synthetase splicing factor with a group I intron RNA | Descriptor: | RNA (238-MER), RNA (5'-R(P*GP*CP*UP*U)-3'), Tyrosyl-tRNA synthetase | Authors: | Paukstelis, P.J, Chen, J.-H, Chase, E, Lambowitz, A.M, Golden, B.L. | Deposit date: | 2007-10-16 | Release date: | 2008-01-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Structure of a tyrosyl-tRNA synthetase splicing factor bound to a group I intron RNA. Nature, 451, 2008
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4POC
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![BU of 4poc by Molmil](/molmil-images/mine/4poc) | Structure of Triosephosphate Isomerase Wild Type human enzyme. | Descriptor: | BROMIDE ION, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Amrich, C.G, Aslam, A.A, Heroux, A, VanDemark, A.P. | Deposit date: | 2014-02-25 | Release date: | 2015-01-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Triosephosphate isomerase I170V alters catalytic site, enhances stability and induces pathology in a Drosophila model of TPI deficiency. Biochim.Biophys.Acta, 1852, 2015
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4POD
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![BU of 4pod by Molmil](/molmil-images/mine/4pod) | Structure of Triosephosphate Isomerase I170V mutant human enzyme. | Descriptor: | BROMIDE ION, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Amrich, C.G, Aslam, A.A, Heroux, A, VanDemark, A.P. | Deposit date: | 2014-02-25 | Release date: | 2015-01-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Triosephosphate isomerase I170V alters catalytic site, enhances stability and induces pathology in a Drosophila model of TPI deficiency. Biochim.Biophys.Acta, 1852, 2015
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5IHX
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6XML
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![BU of 6xml by Molmil](/molmil-images/mine/6xml) | Human aldolase A I98C | Descriptor: | Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION | Authors: | Meneely, K.M, Brewer, K, Lamb, A.L. | Deposit date: | 2020-06-30 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population. Protein Sci., 31, 2022
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6XMO
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![BU of 6xmo by Molmil](/molmil-images/mine/6xmo) | Human aldolase A I98F | Descriptor: | Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION | Authors: | Meneely, K.M, Lamb, A.L. | Deposit date: | 2020-06-30 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population. Protein Sci., 31, 2022
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6XMH
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![BU of 6xmh by Molmil](/molmil-images/mine/6xmh) | Human aldolase A wild type | Descriptor: | Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION | Authors: | Meneely, K.M, Lamb, A.L. | Deposit date: | 2020-06-30 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population. Protein Sci., 31, 2022
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6XMM
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![BU of 6xmm by Molmil](/molmil-images/mine/6xmm) | Human aldolase A I98S | Descriptor: | Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION | Authors: | Meneely, K.M, Brewer, K, Lamb, A.L. | Deposit date: | 2020-06-30 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population. Protein Sci., 31, 2022
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6NN8
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![BU of 6nn8 by Molmil](/molmil-images/mine/6nn8) | The structure of human liver pyruvate kinase, hLPYK-S531E | Descriptor: | 1,2-ETHANEDIOL, Pyruvate kinase PKLR | Authors: | McFarlane, J.S, Ronnebaum, T.A, Meneely, K.M, Fenton, A.W, Lamb, A.L. | Deposit date: | 2019-01-14 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.416 Å) | Cite: | Changes in the allosteric site of human liver pyruvate kinase upon activator binding include the breakage of an intersubunit cation-pi bond. Acta Crystallogr.,Sect.F, 75, 2019
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6X5Y
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![BU of 6x5y by Molmil](/molmil-images/mine/6x5y) | IDO1 in complex with compound 4 | Descriptor: | 4-fluoro-N-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lesburg, C.A, Lammens, A. | Deposit date: | 2020-05-27 | Release date: | 2021-06-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Utilization of MetID and Structural Data to Guide Placement of Spiro and Fused Cyclopropyl Groups for the Synthesis of Low Dose IDO1 Inhibitors To Be Published
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6NN4
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![BU of 6nn4 by Molmil](/molmil-images/mine/6nn4) | The structure of human liver pyruvate kinase, hLPYK-D499N, in complex with Fru-1,6-BP | Descriptor: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, PHOSPHOENOLPYRUVATE, ... | Authors: | McFarlane, J.S, Ronnebaum, T.A, Meneely, K.M, Fenton, A.W, Lamb, A.L. | Deposit date: | 2019-01-14 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Changes in the allosteric site of human liver pyruvate kinase upon activator binding include the breakage of an intersubunit cation-pi bond. Acta Crystallogr.,Sect.F, 75, 2019
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6NN5
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![BU of 6nn5 by Molmil](/molmil-images/mine/6nn5) | The structure of human liver pyruvate kinase, hLPYK-W527H | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Pyruvate kinase PKLR | Authors: | McFarlane, J.S, Ronnebaum, T.A, Meneely, K.M, Fenton, A.W, Lamb, A.L. | Deposit date: | 2019-01-14 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.256 Å) | Cite: | Changes in the allosteric site of human liver pyruvate kinase upon activator binding include the breakage of an intersubunit cation-pi bond. Acta Crystallogr.,Sect.F, 75, 2019
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6NN7
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![BU of 6nn7 by Molmil](/molmil-images/mine/6nn7) | The structure of human liver pyruvate kinase, hLPYK-GGG | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, GLYCEROL, ... | Authors: | McFarlane, J.S, Ronnebaum, T.A, Meneely, K.M, Fenton, A.W, Lamb, A.L. | Deposit date: | 2019-01-14 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Changes in the allosteric site of human liver pyruvate kinase upon activator binding include the breakage of an intersubunit cation-pi bond. Acta Crystallogr.,Sect.F, 75, 2019
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6ZZ6
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![BU of 6zz6 by Molmil](/molmil-images/mine/6zz6) | Cryo-EM structure of S.cerevisiae cohesin-Scc2-DNA complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA (34-MER), MAGNESIUM ION, ... | Authors: | Lee, B.-G, Gonzalez Llamazares, A, Collier, J, Nasmyth, K.A, Lowe, J. | Deposit date: | 2020-08-04 | Release date: | 2020-09-30 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Transport of DNA within cohesin involves clamping on top of engaged heads by Scc2 and entrapment within the ring by Scc3. Elife, 9, 2020
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6PBN
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![BU of 6pbn by Molmil](/molmil-images/mine/6pbn) | Pseudopaline Dehydrogenase with (R)-Pseudopaline Soaked 1 hour | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, N-[(3S)-3-amino-3-carboxypropyl]-L-histidine, ... | Authors: | McFarlane, J.S, Lamb, A.L. | Deposit date: | 2019-06-14 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores. J.Biol.Chem., 294, 2019
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6PBM
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![BU of 6pbm by Molmil](/molmil-images/mine/6pbm) | Pseudopaline Dehydrogenase with NADP+ bound | Descriptor: | 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pseudopaline Dehydrogenase | Authors: | McFarlane, J.S, Lamb, A.L. | Deposit date: | 2019-06-14 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores. J.Biol.Chem., 294, 2019
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6PBP
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![BU of 6pbp by Molmil](/molmil-images/mine/6pbp) | Pseudopaline Dehydrogenase with (S)-Pseudopaline Soaked 1 hour | Descriptor: | 1,2-ETHANEDIOL, N-[(1S)-1-carboxy-3-{[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino}propyl]-L-glutamic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | McFarlane, J.S, Lamb, A.L. | Deposit date: | 2019-06-14 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores. J.Biol.Chem., 294, 2019
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6PBT
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![BU of 6pbt by Molmil](/molmil-images/mine/6pbt) | Pseudopaline Dehydrogenase with (R)-Pseudopaline Soaked 2 hours | Descriptor: | 1,2-ETHANEDIOL, N-[(3S)-3-amino-3-carboxypropyl]-L-histidine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | McFarlane, J.S, Lamb, A.L. | Deposit date: | 2019-06-14 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores. J.Biol.Chem., 294, 2019
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