8C5Q
| CK2 kinase bound to inhibitor AB668 | Descriptor: | 2-methylpropyl 5-fluoranyl-3-[1-[[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl]-1,2,3-triazol-4-yl]-1~{H}-indole-2-carboxylate, CHLORIDE ION, Casein kinase II subunit alpha, ... | Authors: | Krimm, I, Guichou, J.F. | Deposit date: | 2023-01-10 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | CK2 kinase bound to inhibitor AB668 To Be Published
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1IVT
| NMR structures of the C-terminal globular domain of human lamin A/C | Descriptor: | Lamin A/C | Authors: | Krimm, I, Ostlund, C, Gilquin, B, Couprie, J, Hossenlopp, P, Mornon, J.P, Bonn, G, Courvalin, J.C, Worman, H.J, Zinn-Justin, S. | Deposit date: | 2002-03-29 | Release date: | 2002-08-21 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | The Ig-like structure of the C-terminal domain of lamin A/C, mutated in muscular dystrophies, cardiomyopathy, and partial lipodystrophy. Structure, 10, 2002
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1FH3
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1BMR
| ALPHA-LIKE TOXIN LQH III FROM SCORPION LEIURUS QUINQUESTRIATUS HEBRAEUS, NMR, 25 STRUCTURES | Descriptor: | LQH III ALPHA-LIKE TOXIN | Authors: | Krimm, I, Gilles, N, Sautiere, P, Stankiewicz, M, Pelhate, M, Gordon, D, Lancelin, J.-M. | Deposit date: | 1998-07-24 | Release date: | 1999-02-16 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | NMR structures and activity of a novel alpha-like toxin from the scorpion Leiurus quinquestriatus hebraeus. J.Mol.Biol., 285, 1999
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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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1TP9
| PRX D (type II) from Populus tremula | Descriptor: | SULFATE ION, peroxiredoxin | Authors: | Echalier, A, Trivelli, X, Corbier, C, Rouhier, N, Walker, O, Tsan, P, Jacquot, J.P, Krimm, I, Lancelin, J.M. | Deposit date: | 2004-06-16 | Release date: | 2005-04-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Crystal structure and solution NMR dynamics of a D (type II) peroxiredoxin glutaredoxin and thioredoxin dependent: a new insight into the peroxiredoxin oligomerism Biochemistry, 44, 2005
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1B45
| ALPHA-CNIA CONOTOXIN FROM CONUS CONSORS, NMR, 43 STRUCTURES | Descriptor: | ALPHA-CNIA | Authors: | Favreau, P, Krimm, I, Le Gall, F, Bobenrieth, M.J, Lamthanh, H, Bouet, F, Servent, D, Molgo, J, Menez, A, Letourneux, Y, Lancelin, J.M. | Deposit date: | 1999-01-05 | Release date: | 1999-07-09 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Biochemical characterization and nuclear magnetic resonance structure of novel alpha-conotoxins isolated from the venom of Conus consors. Biochemistry, 38, 1999
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1DBY
| NMR STRUCTURES OF CHLOROPLAST THIOREDOXIN M CH2 FROM THE GREEN ALGA CHLAMYDOMONAS REINHARDTII | Descriptor: | CHLOROPLAST THIOREDOXIN M CH2 | Authors: | Lancelin, J.-M, Guilhaudis, L, Krimm, I, Blackledge, M.J, Marion, D. | Deposit date: | 1999-11-03 | Release date: | 1999-11-08 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | NMR structures of thioredoxin m from the green alga Chlamydomonas reinhardtii. Proteins, 41, 2000
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4C4Z
| Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A8 | Descriptor: | 1-ethyl-3-naphthalen-1-ylurea, BIFUNCTIONAL EPOXIDE HYDROLASE 2 | Authors: | Pilger, J, Mazur, A, Monecke, P, Schreuder, H, Elshorst, B, Langer, T, Schiffer, A, Krimm, I, Wegstroth, M, Lee, D, Hessler, G, Wendt, K.-U, Becker, S, Griesinger, C. | Deposit date: | 2013-09-09 | Release date: | 2014-10-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles. Angew.Chem.Int.Ed.Engl., 54, 2015
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4C4Y
| Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A4 | Descriptor: | 1-(3-chlorophenyl)-3-(2-methoxyethyl)urea, BIFUNCTIONAL EPOXIDE HYDROLASE 2 | Authors: | Pilger, J, Mazur, A, Monecke, P, Schreuder, H, Elshorst, B, Langer, T, Schiffer, A, Krimm, I, Wegstroth, M, Lee, D, Hessler, G, Wendt, K.-U, Becker, S, Griesinger, C. | Deposit date: | 2013-09-09 | Release date: | 2014-10-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles. Angew.Chem.Int.Ed.Engl., 54, 2015
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4C4X
| Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with C9 | Descriptor: | 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea, BIFUNCTIONAL EPOXIDE HYDROLASE 2 | Authors: | Pilger, J, Mazur, A, Monecke, P, Schreuder, H, Elshorst, B, Langer, T, Schiffer, A, Krimm, I, Wegstroth, M, Lee, D, Hessler, G, Wendt, K.-U, Becker, S, Griesinger, C. | Deposit date: | 2013-09-09 | Release date: | 2014-10-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles. Angew.Chem.Int.Ed.Engl., 54, 2015
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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
| 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
| 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
| 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
| 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
| 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
| 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
| 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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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
| 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
| 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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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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7Q2I
| Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with Tetrahydrofurfurylamine | Descriptor: | 1-[(2R)-oxolan-2-yl]methanamine, Cholinephosphate cytidylyltransferase, Guanidinium | 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 (1.87 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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7Q2L
| Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 3-Aminopyrrolidin-2-one hydrochloride | Descriptor: | (3R)-3-aminopyrrolidin-2-one, Cholinephosphate cytidylyltransferase | 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 (2.12 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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