7Z9V
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![BU of 7z9v by Molmil](/molmil-images/mine/7z9v) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 1,4-Anhydroerythritol | Descriptor: | (3~{S},4~{R})-oxolane-3,4-diol, Cholinephosphate cytidylyltransferase, Guanidinium | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | Deposit date: | 2022-03-21 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors. To Be Published
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4ZSD
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![BU of 4zsd by Molmil](/molmil-images/mine/4zsd) | Human Cyclophilin D Complexed with an Inhibitor at room temperature | Descriptor: | 1-(4-aminobenzyl)-3-[(2S)-4-(methylsulfanyl)-1-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-1-oxobutan-2-yl]urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Gelin, M, Delfosse, V, Allemand, F, Hoh, F, Sallaz-Damaz, Y, Pirocchi, M, Bourguet, W, Ferrer, J.-L, Labesse, G, Guichou, J.-F. | Deposit date: | 2015-05-13 | Release date: | 2015-08-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
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4ZSC
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![BU of 4zsc by Molmil](/molmil-images/mine/4zsc) | Human Cyclophilin D Complexed with an Inhibitor at room temperature | Descriptor: | Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ethyl N-[(4-aminobenzyl)carbamoyl]glycinate | Authors: | Gelin, M, Delfosse, V, Allemand, F, Hoh, F, Sallaz-Damaz, Y, Pirocchi, M, Bourguet, W, Ferrer, J.-L, Labesse, G, Guichou, J.-F. | Deposit date: | 2015-05-13 | Release date: | 2015-08-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
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1T6F
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![BU of 1t6f by Molmil](/molmil-images/mine/1t6f) | Crystal Structure of the Coiled-coil Dimerization Motif of Geminin | Descriptor: | Geminin | Authors: | Thepaut, M, Maiorano, D, Guichou, J.-F, Auge, M.-T, Dumas, C, Mechali, M, Padilla, A. | Deposit date: | 2004-05-06 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Crystal Structure of the Coiled-coil Dimerization Motif of Geminin: Structural and Functional Insights on DNA Replication Regulation J.Mol.Biol., 342, 2004
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4QT2
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![BU of 4qt2 by Molmil](/molmil-images/mine/4qt2) | Crystal Structure of the FK506-Binding Domain of Plasmodium Falciparum FKBP35 in complex with Rapamycin | Descriptor: | FK506-binding protein (FKBP)-type peptidyl-propyl isomerase, IMIDAZOLE, RAPAMYCIN IMMUNOSUPPRESSANT DRUG | Authors: | Bianchin, A, Allemand, F, Bell, A, Chubb, A.J, Guichou, J.-F. | Deposit date: | 2014-07-07 | Release date: | 2015-06-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Two crystal structures of the FK506-binding domain of Plasmodium falciparum FKBP35 in complex with rapamycin at high resolution Acta Crystallogr.,Sect.D, 71, 2015
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4QT3
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![BU of 4qt3 by Molmil](/molmil-images/mine/4qt3) | Crystal structure resolution of Plasmodium falciparum FK506 binding domain (FKBP35) in complex with Rapamycin at 1.4A resolution | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, FK506-binding protein (FKBP)-type peptidyl-propyl isomerase, RAPAMYCIN IMMUNOSUPPRESSANT DRUG | Authors: | Bianchin, A, Allemand, F, Bell, A, Chubb, A.J, Guichou, J.-F. | Deposit date: | 2014-07-07 | Release date: | 2015-06-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Two crystal structures of the FK506-binding domain of Plasmodium falciparum FKBP35 in complex with rapamycin at high resolution Acta Crystallogr.,Sect.D, 71, 2015
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4N57
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![BU of 4n57 by Molmil](/molmil-images/mine/4n57) | Crystal structure of aminoglycoside phosphotransferase APH(2'')-IVa ADP complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, APH(2'')-Id, MAGNESIUM ION | Authors: | Kaplan, E, Leban, N, Chaloin, L, Guichou, J.-F, Lionne, C. | Deposit date: | 2013-10-09 | Release date: | 2014-12-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of aminoglycoside phosphotransferase APH(2'')-IVa ADP complex To be Published
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4ZCQ
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![BU of 4zcq by Molmil](/molmil-images/mine/4zcq) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase in complex with choline | Descriptor: | CHOLINE ION, Cholinephosphate cytidylyltransferase | Authors: | Guca, E, Hoh, F, Guichou, J.-F, Cerdan, R. | Deposit date: | 2015-04-16 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural determinants of the catalytic mechanism of Plasmodium CCT, a key enzyme of malaria lipid biosynthesis. Sci Rep, 8, 2018
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4XLD
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![BU of 4xld by Molmil](/molmil-images/mine/4xld) | Crystal structure of the human PPARg-LBD/rosiglitazone complex obtained by dry co-crystallization and in situ diffraction | Descriptor: | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), FORMIC ACID, ... | Authors: | Delfosse, V, Guichou, J.-F. | Deposit date: | 2015-01-13 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
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4ZCP
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![BU of 4zcp by Molmil](/molmil-images/mine/4zcp) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase in complex with CMP | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, Cholinephosphate cytidylyltransferase | Authors: | Guca, E, Hoh, F, Guichou, J.-F, Cerdan, R. | Deposit date: | 2015-04-16 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural determinants of the catalytic mechanism of Plasmodium CCT, a key enzyme of malaria lipid biosynthesis. Sci Rep, 8, 2018
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4ZCR
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![BU of 4zcr by Molmil](/molmil-images/mine/4zcr) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase in complex with phosphocholine | Descriptor: | Cholinephosphate cytidylyltransferase, PHOSPHOCHOLINE | Authors: | Guca, E, Hoh, F, Guichou, J.-F, Cerdan, R. | Deposit date: | 2015-04-16 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural determinants of the catalytic mechanism of Plasmodium CCT, a key enzyme of malaria lipid biosynthesis. Sci Rep, 8, 2018
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4ZCS
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![BU of 4zcs by Molmil](/molmil-images/mine/4zcs) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase in complex with CDP-choline | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Choline-phosphate cytidylyltransferase, [2-CYTIDYLATE-O'-PHOSPHONYLOXYL]-ETHYL-TRIMETHYL-AMMONIUM | Authors: | Guca, E, Hoh, F, Guichou, J.-F, Cerdan, R. | Deposit date: | 2015-04-16 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural determinants of the catalytic mechanism of Plasmodium CCT, a key enzyme of malaria lipid biosynthesis. Sci Rep, 8, 2018
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4ZCT
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![BU of 4zct by Molmil](/molmil-images/mine/4zct) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase | Descriptor: | Cholinephosphate cytidylyltransferase | Authors: | Guca, E, Hoh, F, Guichou, J.-F, Cerdan, R. | Deposit date: | 2015-04-16 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structural determinants of the catalytic mechanism of Plasmodium CCT, a key enzyme of malaria lipid biosynthesis. Sci Rep, 8, 2018
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7PUI
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![BU of 7pui by Molmil](/molmil-images/mine/7pui) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-pyridineboronic acid | Descriptor: | Cholinephosphate cytidylyltransferase, pyridin-2-ylboronic acid | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | Deposit date: | 2021-09-30 | Release date: | 2022-10-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors. To Be Published
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7PVE
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![BU of 7pve by Molmil](/molmil-images/mine/7pve) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 4-bromo-1H-imidazole | Descriptor: | 4-bromo-1H-imidazole, Cholinephosphate cytidylyltransferase | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | Deposit date: | 2021-10-02 | Release date: | 2022-10-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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7PVG
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![BU of 7pvg by Molmil](/molmil-images/mine/7pvg) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with isonicotinic acid | Descriptor: | Cholinephosphate cytidylyltransferase, pyridine-4-carboxylic acid | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | Deposit date: | 2021-10-02 | Release date: | 2022-10-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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7PVF
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![BU of 7pvf by Molmil](/molmil-images/mine/7pvf) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 3-hydroxy-1lambda6-thietane-1,1-dione | Descriptor: | 1,1-bis(oxidanylidene)thietan-3-ol, Cholinephosphate cytidylyltransferase, Guanidinium | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | Deposit date: | 2021-10-02 | Release date: | 2022-10-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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7PYA
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![BU of 7pya by Molmil](/molmil-images/mine/7pya) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 3-Hydroxyazetidine hydrochloride | Descriptor: | Cholinephosphate cytidylyltransferase, azetidin-3-ol | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | Deposit date: | 2021-10-09 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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7PY9
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![BU of 7py9 by Molmil](/molmil-images/mine/7py9) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with (pyrrolidin-2-yl)methanol | Descriptor: | Cholinephosphate cytidylyltransferase, D-Prolinol | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | Deposit date: | 2021-10-09 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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7PYB
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![BU of 7pyb by Molmil](/molmil-images/mine/7pyb) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-Hydroxypyridine | Descriptor: | 1~{H}-pyridin-2-one, Cholinephosphate cytidylyltransferase, Guanidinium | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | Deposit date: | 2021-10-09 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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7PYC
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![BU of 7pyc by Molmil](/molmil-images/mine/7pyc) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-Aminopyridine | Descriptor: | 2-AMINOPYRIDINE, Cholinephosphate cytidylyltransferase, Guanidinium | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | Deposit date: | 2021-10-09 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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7Q3M
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![BU of 7q3m by Molmil](/molmil-images/mine/7q3m) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 3-hydroxypiperidine | Descriptor: | (3S)-piperidin-3-ol, Cholinephosphate cytidylyltransferase, Guanidinium | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | Deposit date: | 2021-10-28 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors. To Be Published
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7Q2V
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![BU of 7q2v by Molmil](/molmil-images/mine/7q2v) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 1-methylpyrrolidin-3-ol | Descriptor: | (3R)-1-methylpyrrolidin-3-ol, Cholinephosphate cytidylyltransferase | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | Deposit date: | 2021-10-26 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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7Q2K
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![BU of 7q2k by Molmil](/molmil-images/mine/7q2k) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-pyrrolidinone | Descriptor: | Cholinephosphate cytidylyltransferase, pyrrolidin-2-one | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | Deposit date: | 2021-10-25 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors. To Be Published
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7Q3W
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![BU of 7q3w by Molmil](/molmil-images/mine/7q3w) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with (R)-2-Aminobutanamide hydrochloride | Descriptor: | (R)-2-Aminobutanamide, Cholinephosphate cytidylyltransferase, Guanidinium | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | Deposit date: | 2021-10-28 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors. To Be Published
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