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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4BCD
 | | PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A NON-COVALENTLY BOUND P2-substituted N-acyl-prolylpyrrolidine inhibitor | | Descriptor: | 1-[(2S,4S)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-pyrrolidin-1-ylcarbonyl-pyrrolidin-1-yl]-4-phenyl-butan-1-one, GLYCEROL, PROLYL ENDOPEPTIDASE, ... | | Authors: | VanDerVeken, P, Fulop, V, Rea, D, Gerard, M, VanElzen, R, Joossens, J, Cheng, J.D, Baekelandt, V, DeMeester, I, Lambeir, A.M, Augustyns, K. | | Deposit date: | 2012-10-01 | | Release date: | 2013-03-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | P2-Substituted N-Acylprolylpyrrolidine Inhibitors of Prolyl Oligopeptidase: Biochemical Evaluation, Binding Mode Determination, and Assessment in a Cellular Model of Synucleinopathy.
J.Med.Chem., 55, 2012
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4BCB
 | | PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A COVALENTLY BOUND P2- substituted N-acyl-prolylpyrrolidine inhibitor | | Descriptor: | (5R,6R,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-5-CYCLOHEXYL-6-HYDROXY-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE, GLYCEROL, PROLYL ENDOPEPTIDASE, ... | | Authors: | VanDerVeken, P, Fulop, V, Rea, D, Gerard, M, VanElzen, R, Joossens, J, Cheng, J.D, Baekelandt, V, DeMeester, I, Lambeir, A.M, Augustyns, K. | | Deposit date: | 2012-10-01 | | Release date: | 2013-03-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | P2-Substituted N-Acylprolylpyrrolidine Inhibitors of Prolyl Oligopeptidase: Biochemical Evaluation, Binding Mode Determination, and Assessment in a Cellular Model of Synucleinopathy.
J.Med.Chem., 55, 2012
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4BCC
 | | PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A COVALENTLY BOUND P2- substituted N-acyl-prolylpyrrolidine inhibitor | | Descriptor: | GLYCEROL, PROLYL ENDOPEPTIDASE, TRIS(HYDROXYETHYL)AMINOMETHANE, ... | | Authors: | VanDerVeken, P, Fulop, V, Rea, D, Gerard, M, VanElzen, R, Joossens, J, Cheng, J.D, Baekelandt, V, DeMeester, I, Lambeir, A.M, Augustyns, K. | | Deposit date: | 2012-10-01 | | Release date: | 2013-03-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | P2-Substituted N-Acylprolylpyrrolidine Inhibitors of Prolyl Oligopeptidase: Biochemical Evaluation, Binding Mode Determination, and Assessment in a Cellular Model of Synucleinopathy.
J.Med.Chem., 55, 2012
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6WPE
 | | HUMAN IDO1 IN COMPLEX WITH COMPOUND 4 | | Descriptor: | 4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide, Indoleamine 2,3-dioxygenase 1 | | Authors: | Lesburg, C.A, Lammens, A. | | Deposit date: | 2020-04-27 | | Release date: | 2021-03-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Carbamate and N -Pyrimidine Mitigate Amide Hydrolysis: Structure-Based Drug Design of Tetrahydroquinoline IDO1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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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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5KVS
 | | Substrate Analog and NADP+ bound structure of Irp3, a Thiazolinyl Imine Reductase from Yersinia enterocolitica | | Descriptor: | (4~{R})-2-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid, 1,2-ETHANEDIOL, FORMIC ACID, ... | | Authors: | Meneely, K.M, Lamb, A.L. | | Deposit date: | 2016-07-15 | | Release date: | 2016-09-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Holo Structure and Steady State Kinetics of the Thiazolinyl Imine Reductases for Siderophore Biosynthesis.
Biochemistry, 55, 2016
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5KVQ
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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
 | | 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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6DQO
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6DQI
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2AHZ
 | | K+ complex of the NaK Channel | | Descriptor: | CALCIUM ION, POTASSIUM ION, Potassium channel protein | | Authors: | Shi, N, Ye, S, Alam, A, Chen, L, Jiang, Y. | | Deposit date: | 2005-07-28 | | Release date: | 2006-02-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Atomic structure of a Na+- and K+-conducting channel.
Nature, 440, 2006
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2B2N
 | | Structure of transcription-repair coupling factor | | Descriptor: | O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, SODIUM ION, SULFATE ION, ... | | Authors: | Assenmacher, N, Wenig, K, Lammens, A, Hopfner, K.-P. | | Deposit date: | 2005-09-19 | | Release date: | 2006-01-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for Transcription-coupled Repair: the N Terminus of Mfd Resembles UvrB with Degenerate ATPase Motifs
J.Mol.Biol., 355, 2006
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4TYG
 | | Structural analysis of the human Fibroblast Growth Factor Receptor 4 Kinase | | Descriptor: | ACETATE ION, Fibroblast growth factor receptor 4 | | Authors: | Lesca, E, Lammens, A, Huber, R, Augustin, M. | | Deposit date: | 2014-07-08 | | Release date: | 2014-09-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural analysis of the human fibroblast growth factor receptor 4 kinase.
J.Mol.Biol., 426, 2014
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4TYI
 | | Structural analysis of the human Fibroblast Growth Factor Receptor 4 | | Descriptor: | 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, Fibroblast growth factor receptor 4 | | Authors: | Lesca, E, Lammens, A, Huber, R, Augustin, M. | | Deposit date: | 2014-07-08 | | Release date: | 2014-09-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural analysis of the human fibroblast growth factor receptor 4 kinase.
J.Mol.Biol., 426, 2014
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5IHX
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5IJX
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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
 | | 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
 | | 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
 | | 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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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
 | | 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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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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