7KYK
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![BU of 7kyk by Molmil](/molmil-images/mine/7kyk) | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM589 (ethyl 3-methyl-4-((4-(trifluoromethyl)benzo[d]oxazol-7-yl)methyl)-1H-pyrrole-2-carboxylate) | 分子名称: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | 著者 | Deng, X, Phillips, M, Tomchick, D. | 登録日 | 2020-12-08 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series. J.Med.Chem., 64, 2021
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7KZ4
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![BU of 7kz4 by Molmil](/molmil-images/mine/7kz4) | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM705 (N-(1-(1H-1,2,4-triazol-3-yl)ethyl)-3-methyl-4-(1-(6-(trifluoromethyl)pyridin-3-yl)cyclopropyl)-1H-pyrrole-2-carboxamide) | 分子名称: | 3-methyl-N-[(1R)-1-(1H-1,2,4-triazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | 著者 | Deng, X, Phillips, M, Tomchick, D. | 登録日 | 2020-12-09 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series. J.Med.Chem., 64, 2021
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7KYV
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![BU of 7kyv by Molmil](/molmil-images/mine/7kyv) | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM634 (3-methyl-N-(1-(5-methylisoxazol-3-yl)ethyl)-4-(4-(trifluoromethyl)benzyl)-1H-pyrrole-2-carboxamide) | 分子名称: | 3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | 著者 | Deng, X, Phillips, M, Tomchick, D. | 登録日 | 2020-12-08 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series. J.Med.Chem., 64, 2021
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7KYY
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![BU of 7kyy by Molmil](/molmil-images/mine/7kyy) | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM697 (3-methyl-N-(1-(5-methylisoxazol-3-yl)ethyl)-4-(6-(trifluoromethyl)-1H-indol-3-yl)-1H-pyrrole-2-carboxamide) | 分子名称: | 3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrrole-2-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | 著者 | Deng, X, Phillips, M, Tomchick, D. | 登録日 | 2020-12-09 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series. J.Med.Chem., 64, 2021
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7L01
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![BU of 7l01 by Molmil](/molmil-images/mine/7l01) | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM782 (N-(1-(5-cyano-1H-pyrazol-3-yl)ethyl)-3-methyl-4-(1-(6-(trifluoromethyl)pyridin-3-yl)cyclopropyl)-1H-pyrrole-2-carboxamide) | 分子名称: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | 著者 | Deng, X, Phillips, M, Tomchick, D. | 登録日 | 2020-12-10 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series. J.Med.Chem., 64, 2021
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6ROP
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![BU of 6rop by Molmil](/molmil-images/mine/6rop) | |
4O81
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![BU of 4o81 by Molmil](/molmil-images/mine/4o81) | |
7MJ0
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![BU of 7mj0 by Molmil](/molmil-images/mine/7mj0) | LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with adenosine monophosphate AMP | 分子名称: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase | 著者 | Chatterjee, S, Rankin, J.A, Lagishetty, S, Hu, J, Hausinger, R.P. | 登録日 | 2021-04-19 | 公開日 | 2021-09-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | 主引用文献 | The LarB carboxylase/hydrolase forms a transient cysteinyl-pyridine intermediate during nickel-pincer nucleotide cofactor biosynthesis. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MJ1
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![BU of 7mj1 by Molmil](/molmil-images/mine/7mj1) | LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with NAD | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Chatterjee, S, Rankin, J.A, Lagishetty, S, Hu, J, Hausinger, R.P. | 登録日 | 2021-04-19 | 公開日 | 2021-09-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.402 Å) | 主引用文献 | The LarB carboxylase/hydrolase forms a transient cysteinyl-pyridine intermediate during nickel-pincer nucleotide cofactor biosynthesis. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MJ2
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![BU of 7mj2 by Molmil](/molmil-images/mine/7mj2) | LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with Zn | 分子名称: | MAGNESIUM ION, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase, ZINC ION | 著者 | Chatterjee, S, Rankin, J.A, Lagishetty, S, Hu, J, Hausinger, R.P. | 登録日 | 2021-04-19 | 公開日 | 2021-09-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The LarB carboxylase/hydrolase forms a transient cysteinyl-pyridine intermediate during nickel-pincer nucleotide cofactor biosynthesis. Proc.Natl.Acad.Sci.USA, 118, 2021
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4OHC
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![BU of 4ohc by Molmil](/molmil-images/mine/4ohc) | |
7MIF
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![BU of 7mif by Molmil](/molmil-images/mine/7mif) | Human CTPS1 bound to inhibitor R80 | 分子名称: | CTP synthase 1, GLUTAMINE, MAGNESIUM ION, ... | 著者 | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | 登録日 | 2021-04-16 | 公開日 | 2021-10-13 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural basis for isoform-specific inhibition of human CTPS1. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MIP
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![BU of 7mip by Molmil](/molmil-images/mine/7mip) | Mouse CTPS1 bound to inhibitor R80 | 分子名称: | CTP synthase 1, GLUTAMINE, MAGNESIUM ION, ... | 著者 | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | 登録日 | 2021-04-17 | 公開日 | 2021-10-13 | 実験手法 | ELECTRON MICROSCOPY (2.4 Å) | 主引用文献 | Structural basis for isoform-specific inhibition of human CTPS1. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MIV
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![BU of 7miv by Molmil](/molmil-images/mine/7miv) | Mouse CTPS2-I250T bound to inhibitor R80 | 分子名称: | CTP synthase 2, GLUTAMINE, MAGNESIUM ION, ... | 著者 | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | 登録日 | 2021-04-17 | 公開日 | 2021-10-13 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Structural basis for isoform-specific inhibition of human CTPS1. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MII
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![BU of 7mii by Molmil](/molmil-images/mine/7mii) | Human CTPS2 bound to inhibitor T35 | 分子名称: | 2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide, CTP synthase 2, GLUTAMINE, ... | 著者 | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | 登録日 | 2021-04-16 | 公開日 | 2021-10-13 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Structural basis for isoform-specific inhibition of human CTPS1. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MGZ
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![BU of 7mgz by Molmil](/molmil-images/mine/7mgz) | Human CTPS1 bound to UTP, AMPPNP, and glutamine | 分子名称: | CTP synthase 1, GLUTAMINE, MAGNESIUM ION, ... | 著者 | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | 登録日 | 2021-04-14 | 公開日 | 2021-10-13 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Structural basis for isoform-specific inhibition of human CTPS1. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MH1
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![BU of 7mh1 by Molmil](/molmil-images/mine/7mh1) | Human CTPS2 bound to CTP | 分子名称: | CTP synthase 2, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION | 著者 | Lynch, E.M, Kollman, J.M. | 登録日 | 2021-04-14 | 公開日 | 2021-10-13 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Structural basis for isoform-specific inhibition of human CTPS1. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MIG
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![BU of 7mig by Molmil](/molmil-images/mine/7mig) | Human CTPS1 bound to inhibitor T35 | 分子名称: | 2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide, CTP synthase 1, GLUTAMINE, ... | 著者 | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | 登録日 | 2021-04-16 | 公開日 | 2021-10-13 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Structural basis for isoform-specific inhibition of human CTPS1. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MH0
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![BU of 7mh0 by Molmil](/molmil-images/mine/7mh0) | Human CTPS1 bound to CTP | 分子名称: | CTP synthase 1, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION | 著者 | Lynch, E.M, Kollman, J.M. | 登録日 | 2021-04-14 | 公開日 | 2021-10-13 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (6.2 Å) | 主引用文献 | Structural basis for isoform-specific inhibition of human CTPS1. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MIU
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![BU of 7miu by Molmil](/molmil-images/mine/7miu) | Mouse CTPS2 bound to inhibitor R80 | 分子名称: | CTP synthase 2, GLUTAMINE, MAGNESIUM ION, ... | 著者 | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | 登録日 | 2021-04-17 | 公開日 | 2021-10-13 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | Structural basis for isoform-specific inhibition of human CTPS1. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MIH
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![BU of 7mih by Molmil](/molmil-images/mine/7mih) | Human CTPS2 bound to inhibitor R80 | 分子名称: | CTP synthase 2, GLUTAMINE, MAGNESIUM ION, ... | 著者 | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | 登録日 | 2021-04-16 | 公開日 | 2021-10-13 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Structural basis for isoform-specific inhibition of human CTPS1. Proc.Natl.Acad.Sci.USA, 118, 2021
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7LL6
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![BU of 7ll6 by Molmil](/molmil-images/mine/7ll6) | |
6U8R
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![BU of 6u8r by Molmil](/molmil-images/mine/6u8r) | Human IMPDH2 treated with ATP, IMP, and NAD+. Bent (1/4 compressed, 3/4 extended) segment reconstruction. | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ... | 著者 | Johnson, M.C, Kollman, J.M. | 登録日 | 2019-09-05 | 公開日 | 2020-03-25 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.91 Å) | 主引用文献 | Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation. Elife, 9, 2020
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6UBP
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![BU of 6ubp by Molmil](/molmil-images/mine/6ubp) | Crystal structure of a photochemical intermediate of human indoleamine 2,3-dioxygenase 1 in complex with carbon monoxide and tryptophan | 分子名称: | CARBON MONOXIDE, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Pham, K.N, Yeh, S.R. | 登録日 | 2019-09-12 | 公開日 | 2021-02-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Conformational Plasticity in Human Heme-Based Dioxygenases. J.Am.Chem.Soc., 143, 2021
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7M13
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![BU of 7m13 by Molmil](/molmil-images/mine/7m13) | Crystal structure of CJ1428, a GDP-D-GLYCERO-L-GLUCO-HEPTOSE SYNTHASE from campylobacter jejuni in the presence of NADPH | 分子名称: | 1,2-ETHANEDIOL, GDP-L-fucose synthase, MAGNESIUM ION, ... | 著者 | Anderson, T.K, Thoden, J.B, Raushel, F.M, Holden, H.M. | 登録日 | 2021-03-12 | 公開日 | 2021-03-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Biosynthesis of d- glycero -l- gluco -Heptose in the Capsular Polysaccharides of Campylobacter jejuni . Biochemistry, 60, 2021
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