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 | 分子名称: | Cholinephosphate cytidylyltransferase, D-Prolinol | 著者 | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | 登録日 | 2021-10-09 | 公開日 | 2022-10-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | 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 | 分子名称: | 1~{H}-pyridin-2-one, Cholinephosphate cytidylyltransferase, Guanidinium | 著者 | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | 登録日 | 2021-10-09 | 公開日 | 2022-10-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | 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 | 分子名称: | 2-AMINOPYRIDINE, Cholinephosphate cytidylyltransferase, Guanidinium | 著者 | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | 登録日 | 2021-10-09 | 公開日 | 2022-10-12 | 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
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7Q9W
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![BU of 7q9w by Molmil](/molmil-images/mine/7q9w) | 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
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7QA7
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![BU of 7qa7 by Molmil](/molmil-images/mine/7qa7) | 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
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7Q9V
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![BU of 7q9v by Molmil](/molmil-images/mine/7q9v) | 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
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7QAD
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![BU of 7qad by Molmil](/molmil-images/mine/7qad) | 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
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7QD3
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![BU of 7qd3 by Molmil](/molmil-images/mine/7qd3) | 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
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7QVO
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![BU of 7qvo by Molmil](/molmil-images/mine/7qvo) | 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
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7QVN
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![BU of 7qvn by Molmil](/molmil-images/mine/7qvn) | 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
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7QBJ
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![BU of 7qbj by Molmil](/molmil-images/mine/7qbj) | 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
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7QDX
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![BU of 7qdx by Molmil](/molmil-images/mine/7qdx) | 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
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7QEM
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![BU of 7qem by Molmil](/molmil-images/mine/7qem) | 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
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7R58
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![BU of 7r58 by Molmil](/molmil-images/mine/7r58) | Crystal structure of the GPVI-glenzocimab complex | 分子名称: | CHLORIDE ION, Fab heavy chain, Fab light chain, ... | 著者 | Jandrot-Perrus, M, Lebozec, K, Rose, N, Welin, M, Billiald, P. | 登録日 | 2022-02-10 | 公開日 | 2022-11-16 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.902 Å) | 主引用文献 | Targeting platelet GPVI with glenzocimab: a novel mechanism for inhibition. Blood Adv, 7, 2023
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7SQO
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![BU of 7sqo by Molmil](/molmil-images/mine/7sqo) | Structure of the orexin-2 receptor(OX2R) bound to TAK-925, Gi and scFv16 | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | 著者 | McGrath, A.P, Kang, Y, Flinspach, M. | 登録日 | 2021-11-05 | 公開日 | 2022-05-25 | 最終更新日 | 2022-07-06 | 実験手法 | ELECTRON MICROSCOPY (3.17 Å) | 主引用文献 | Molecular mechanism of the wake-promoting agent TAK-925. Nat Commun, 13, 2022
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6R29
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![BU of 6r29 by Molmil](/molmil-images/mine/6r29) | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD cocrystallized with succinylphosphonate | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, (4~{S})-4-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{H}-1,3-thiazol-2-yl]-4-oxidanyl-4-phosphono-butanoic acid, MAGNESIUM ION, ... | 著者 | Wagner, T, Alzari, P.M, Bellinzoni, M. | 登録日 | 2019-03-15 | 公開日 | 2019-09-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Conformational transitions in the active site of mycobacterial 2-oxoglutarate dehydrogenase upon binding phosphonate analogues of 2-oxoglutarate: From a Michaelis-like complex to ThDP adducts. J.Struct.Biol., 208, 2019
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6R2A
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![BU of 6r2a by Molmil](/molmil-images/mine/6r2a) | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD cocrystallized with succinylphosphonate phosphonoethyl ester (PESP) | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, (4~{S})-4-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{H}-1,3-thiazol-2-yl]-4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanyl-butanoic acid, MAGNESIUM ION, ... | 著者 | Wagner, T, Alzari, P.M, Bellinzoni, M. | 登録日 | 2019-03-15 | 公開日 | 2019-09-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Conformational transitions in the active site of mycobacterial 2-oxoglutarate dehydrogenase upon binding phosphonate analogues of 2-oxoglutarate: From a Michaelis-like complex to ThDP adducts. J.Struct.Biol., 208, 2019
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6R2D
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![BU of 6r2d by Molmil](/molmil-images/mine/6r2d) | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD after soaking with succinylphosphonate phosphonoethyl ester, followed by temperature increase | 分子名称: | (4~{S})-4-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{H}-1,3-thiazol-2-yl]-4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanyl-butanoic acid, CALCIUM ION, MAGNESIUM ION, ... | 著者 | Wagner, T, Alzari, P.M, Bellinzoni, M. | 登録日 | 2019-03-15 | 公開日 | 2019-09-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Conformational transitions in the active site of mycobacterial 2-oxoglutarate dehydrogenase upon binding phosphonate analogues of 2-oxoglutarate: From a Michaelis-like complex to ThDP adducts. J.Struct.Biol., 208, 2019
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6R2C
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![BU of 6r2c by Molmil](/molmil-images/mine/6r2c) | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD after soaking with succinylphosphonate phosphonoethyl ester (PESP) | 分子名称: | 4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanylidene-butanoic acid, CALCIUM ION, MAGNESIUM ION, ... | 著者 | Wagner, T, Alzari, P.M, Bellinzoni, M. | 登録日 | 2019-03-15 | 公開日 | 2019-09-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Conformational transitions in the active site of mycobacterial 2-oxoglutarate dehydrogenase upon binding phosphonate analogues of 2-oxoglutarate: From a Michaelis-like complex to ThDP adducts. J.Struct.Biol., 208, 2019
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6R2B
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![BU of 6r2b by Molmil](/molmil-images/mine/6r2b) | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD after soaking with succinylphosphonate | 分子名称: | (4~{S})-4-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{H}-1,3-thiazol-2-yl]-4-oxidanyl-4-phosphono-butanoic acid, CALCIUM ION, MAGNESIUM ION, ... | 著者 | Wagner, T, Alzari, P.M, Bellinzoni, M. | 登録日 | 2019-03-15 | 公開日 | 2019-09-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Conformational transitions in the active site of mycobacterial 2-oxoglutarate dehydrogenase upon binding phosphonate analogues of 2-oxoglutarate: From a Michaelis-like complex to ThDP adducts. J.Struct.Biol., 208, 2019
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5EE7
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![BU of 5ee7 by Molmil](/molmil-images/mine/5ee7) | Crystal structure of the human glucagon receptor (GCGR) in complex with the antagonist MK-0893 | 分子名称: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 3-[[4-[(1~{S})-1-[3-[3,5-bis(chloranyl)phenyl]-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid, Glucagon receptor,Endolysin,Glucagon receptor, ... | 著者 | Jazayeri, A, Dore, A.S, Lamb, D, Krishnamurthy, H, Southall, S.M, Baig, A.H, Bortolato, A, Koglin, M, Robertson, N.J, Errey, J.C, Andrews, S.P, Brown, A.J.H, Cooke, R.M, Weir, M, Marshall, F.H. | 登録日 | 2015-10-22 | 公開日 | 2016-04-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Extra-helical binding site of a glucagon receptor antagonist. Nature, 533, 2016
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8P4Z
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![BU of 8p4z by Molmil](/molmil-images/mine/8p4z) | Crystal structure of the human CDK7 kinase domain in complex with LDC4297 | 分子名称: | 2-[(3R)-piperidin-3-yl]oxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine, Cyclin-dependent kinase 7, GLYCEROL, ... | 著者 | Laursen, M, Caing-Carlsson, R, Houssari, R, Javadi, A, Kimbung, Y.R, Murina, V, Orozco-Rodriguez, J.M, Svensson, A, Welin, M, Logan, D, Svensson, B, Walse, B. | 登録日 | 2023-05-23 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Crystal structure of the human CDK7 kinase domain in complex with LDC4297 To Be Published
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5H8L
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![BU of 5h8l by Molmil](/molmil-images/mine/5h8l) | Crystal structure of Medicago truncatula N-carbamoylputrescine amidohydrolase (MtCPA) C158S mutant in complex with putrescine | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, DI(HYDROXYETHYL)ETHER, ... | 著者 | Sekula, B, Ruszkowski, M, Malinska, M, Dauter, Z. | 登録日 | 2015-12-23 | 公開日 | 2016-04-20 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Structural Investigations of N-carbamoylputrescine Amidohydrolase from Medicago truncatula: Insights into the Ultimate Step of Putrescine Biosynthesis in Plants. Front Plant Sci, 7, 2016
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5H8J
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![BU of 5h8j by Molmil](/molmil-images/mine/5h8j) | Crystal structure of Medicago truncatula N-carbamoylputrescine amidohydrolase (MtCPA) in complex with cadaverine | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Sekula, B, Ruszkowski, M, Malinska, M, Dauter, Z. | 登録日 | 2015-12-23 | 公開日 | 2016-04-20 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Structural Investigations of N-carbamoylputrescine Amidohydrolase from Medicago truncatula: Insights into the Ultimate Step of Putrescine Biosynthesis in Plants. Front Plant Sci, 7, 2016
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7TN9
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![BU of 7tn9 by Molmil](/molmil-images/mine/7tn9) | Structure of the Inmazeb cocktail and resistance to escape against Ebola virus | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, GP2, ... | 著者 | Rayaprolu, V, Fulton, B, Rafique, A, Arturo, E, Williams, D, Hariharan, C, Callaway, H, Parvate, A, Schendel, S.L, Parekh, D, Hui, S, Shaffer, K, Pascal, K.E, Wloga, E, Giordano, S, Copin, R, Franklin, M, Boytz, R.M, Donahue, C, Davey, R, Baum, A, Kyratsous, C.A, Saphire, E.O. | 登録日 | 2022-01-20 | 公開日 | 2023-01-25 | 最終更新日 | 2023-02-22 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structure of the Inmazeb cocktail and resistance to Ebola virus escape. Cell Host Microbe, 31, 2023
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