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7Q9W
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BU of 7q9w by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 4-(aminomethyl)pyridin-2-amine
分子名称: 4-(aminomethyl)pyridin-2-amine, Cholinephosphate cytidylyltransferase, Guanidinium
著者Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
登録日2021-11-15
公開日2022-11-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors.
To Be Published
7QA7
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BU of 7qa7 by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with Cyclopropanemethylamine
分子名称: Cholinephosphate cytidylyltransferase, cyclopropylmethanamine
著者Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
登録日2021-11-16
公開日2022-11-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
7Q9V
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BU of 7q9v by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 1-(1,3-oxazol-4-yl)methanamine
分子名称: 1,3-oxazol-4-ylmethanamine, Cholinephosphate cytidylyltransferase, Guanidinium
著者Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
登録日2021-11-15
公開日2022-11-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
7QAD
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BU of 7qad by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 1,4-Oxazepane hydrochloride
分子名称: 1,4-oxazepane, Cholinephosphate cytidylyltransferase, Guanidinium
著者Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
登録日2021-11-16
公開日2022-11-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors.
To Be Published
7QD3
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BU of 7qd3 by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with morpholine
分子名称: Cholinephosphate cytidylyltransferase, morpholine
著者Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
登録日2021-11-26
公開日2022-12-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
5FTO
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BU of 5fto by Molmil
Crystal structure of the ALK kinase domain in complex with Entrectinib
分子名称: ALK TYROSINE KINASE RECEPTOR, Entrectinib
著者Bossi, R, Canevari, G, Fasolini, M, Menichincheri, M, Ardini, E, Magnaghi, P, Avanzi, N, Banfi, P, Buffa, L, Ceriani, L, Colombo, M, Corti, L, Donati, D, Felder, E, Fiorelli, C, Fiorentini, F, Galvani, A, Isacchi, A, Lombardi Borgia, A, Marchionni, C, Nesi, M, Orrenius, C, Panzeri, A, Perrone, E, Pesenti, E, Rusconi, L, Saccardo, M.B, Vanotti, E, Orsini, P.
登録日2016-01-14
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor.
J.Med.Chem., 59, 2016
7QVO
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BU of 7qvo by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with guanidine
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cholinephosphate cytidylyltransferase, Guanidinium
著者Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
登録日2022-01-22
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
5LWF
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BU of 5lwf by Molmil
Structure of a single domain camelid antibody fragment cAb-G10S in complex with the BlaP beta-lactamase from Bacillus licheniformis
分子名称: ACETATE ION, Beta-lactamase, Camelid heavy-chain antibody variable fragment cAb-G10S
著者Vettore, N, Kerff, F, Pain, C, Herman, R, Sauvage, E, Preumont, S, Charlier, P, Dumoulin, M.
登録日2016-09-16
公開日2017-11-15
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Probing the mechanism of aggregation of polyQ model proteins with camelid heavy-chain antibody fragments
To Be Published
7QVN
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BU of 7qvn by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with(1H-pyrazol-5-yl)methanol
分子名称: 1~{H}-pyrazol-5-ylmethanol, Cholinephosphate cytidylyltransferase, Guanidinium
著者Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
登録日2022-01-22
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
3N9U
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BU of 3n9u by Molmil
Crystal Structure of the Complex between the 25 kDa Subunit and the 59 kDa Subunit (RRM domain) of Human Cleavage Factor Im
分子名称: Cleavage and polyadenylation specificity factor subunit 5, Cleavage and polyadenylation specificity factor subunit 7, GLYCEROL
著者Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Moche, M, Nielsen, T.N, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van der Berg, S, Wahlberg, E, Weigelt, J, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2010-05-31
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystal Structure of the Complex between the 25 kDa Subunit and the 59 kDa Subunit (RRM domain) of Human Cleavage Factor Im
To be Published
7QBJ
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BU of 7qbj by Molmil
bacterial IMPDH chimera
分子名称: Inosine-5'-monophosphate dehydrogenase
著者Labesse, G, Gelin, M, Munier-Lehmann, H, Gedeon, A, Haouz, A.
登録日2021-11-19
公開日2023-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Insight into the role of the Bateman domain at the molecular and physiological levels through engineered IMP dehydrogenases.
Protein Sci., 32, 2023
7QEM
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BU of 7qem by Molmil
bacterial IMPDH chimera
分子名称: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase
著者Labesse, G, Gelin, M, Gedeon, A, Haouz, A, Munier-Lehmann, H.
登録日2021-12-03
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Insight into the role of the Bateman domain at the molecular and physiological levels through engineered IMP dehydrogenases.
Protein Sci., 32, 2023
7QDX
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BU of 7qdx by Molmil
bacterial IMPDH chimera
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Inosine-5'-monophosphate dehydrogenase, MAGNESIUM ION
著者Labesse, G, Gelin, M, Munier-Lehmann, H, Gedeon, A, Haouz, A.
登録日2021-11-30
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Insight into the role of the Bateman domain at the molecular and physiological levels through engineered IMP dehydrogenases.
Protein Sci., 32, 2023
1RSV
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BU of 1rsv by Molmil
azide complex of the diferrous E238A mutant R2 subunit of ribonucleotide reductase
分子名称: AZIDE ION, FE (III) ION, MERCURY (II) ION, ...
著者Assarsson, M, Andersson, M.E, Hogbom, M, Persson, B.O, Sahlin, M, Barra, A.L, Sjoberg, B.M, Nordlund, P, Graslund, A.
登録日2003-12-10
公開日2003-12-23
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Restoring proper radical generation by azide binding to the iron site of the E238A mutant R2 protein of ribonucleotide reductase from Escherichia coli.
J.Biol.Chem., 276, 2001
3MTG
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BU of 3mtg by Molmil
Crystal structure of human S-adenosyl homocysteine hydrolase-like 1 protein
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative adenosylhomocysteinase 2
著者Wisniewska, M, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Thorsell, A.G, Tresaugues, L, van der Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2010-04-30
公開日2010-05-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Crystal structure of human S-adenosyl homocysteine hydrolase-like 1 protein
TO BE PUBLISHED
5AHM
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BU of 5ahm by Molmil
IMP-bound form of the DeltaCBS mutant of IMPDH from Pseudomonas aeruginosa
分子名称: INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE, INOSINIC ACID, PHOSPHATE ION
著者Labesse, G, Alexandre, T, Gelin, M, Haouz, A, Munier-Lehmann, H.
登録日2015-02-06
公開日2015-07-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystallographic Studies of Two Variants of Pseudomonas Aeruginosa Impdh with Impaired Allosteric Regulation
Acta Crystallogr.,Sect.D, 71, 2015
3N8E
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BU of 3n8e by Molmil
Substrate binding domain of the human Heat Shock 70kDa protein 9 (mortalin)
分子名称: Stress-70 protein, mitochondrial
著者Wisniewska, M, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, van der Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2010-05-28
公開日2010-06-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Substrate binding domain of the human Heat Shock 70kDa protein 9 (mortalin)
To be published
7R4K
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Crystal structure of human mitochondrial NAD kinase
分子名称: MAGNESIUM ION, NAD kinase 2, mitochondrial, ...
著者Labesse, G, Mary, C, Gelin, M, Lionne, C.
登録日2022-02-08
公開日2022-07-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Crystal structure of human NADK2 reveals a dimeric organization and active site occlusion by lysine acetylation.
Mol.Cell, 82, 2022
7R4J
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Crystal structure of human mitochondrial NAD kinase
分子名称: CALCIUM ION, NAD kinase 2, mitochondrial
著者Labesse, G, Mary, C, Gelin, M, Lionne, C.
登録日2022-02-08
公開日2022-07-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal structure of human NADK2 reveals a dimeric organization and active site occlusion by lysine acetylation.
Mol.Cell, 82, 2022
7R4L
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Crystal structure of human mitochondrial NAD kinase
分子名称: FE (III) ION, NAD kinase 2, mitochondrial, ...
著者Labesse, G, Mary, C, Gelin, M, Lionne, C.
登録日2022-02-08
公開日2022-07-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of human NADK2 reveals a dimeric organization and active site occlusion by lysine acetylation.
Mol.Cell, 82, 2022
7R4M
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Crystal structure of mitochondrial NAD kinase
分子名称: CALCIUM ION, NAD kinase 2, mitochondrial, ...
著者Labesse, G, Mary, C, Gelin, M, Lionne, C.
登録日2022-02-08
公開日2022-07-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystal structure of human NADK2 reveals a dimeric organization and active site occlusion by lysine acetylation.
Mol.Cell, 82, 2022
2Y6H
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BU of 2y6h by Molmil
X-2 L110F CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase
分子名称: CALCIUM ION, XYLANASE
著者von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M.
登録日2011-01-21
公開日2012-03-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules.
Glycobiology, 22, 2012
5AQ9
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DARPin-based Crystallization Chaperones exploit Molecular Geometry as a Screening Dimension in Protein Crystallography
分子名称: MALTOSE-BINDING PERIPLASMIC PROTEIN, OFF7_DB08V4
著者Batyuk, A, Wu, Y, Honegger, A, Heberling, M, Plueckthun, A.
登録日2015-09-21
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Darpin-Based Crystallization Chaperones Exploit Molecular Geometry as a Screening Dimension in Protein Crystallography
J.Mol.Biol., 428, 2016
5AQ8
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DARPin-based Crystallization Chaperones exploit Molecular Geometry as a Screening Dimension in Protein Crystallography
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, OFF7_DB12V4, THIOCYANATE ION
著者Batyuk, A, Wu, Y, Honegger, A, Heberling, M, Plueckthun, A.
登録日2015-09-21
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Darpin-Based Crystallization Chaperones Exploit Molecular Geometry as a Screening Dimension in Protein Crystallography
J.Mol.Biol., 428, 2016
5AQA
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DARPin-based Crystallization Chaperones exploit Molecular Geometry as a Screening Dimension in Protein Crystallography
分子名称: OFF7_DB04V3, THIOCYANATE ION
著者Batyuk, A, Wu, Y, Honegger, A, Heberling, M, Plueckthun, A.
登録日2015-09-21
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Darpin-Based Crystallization Chaperones Exploit Molecular Geometry as a Screening Dimension in Protein Crystallography
J.Mol.Biol., 428, 2016

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