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4ZQN
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BU of 4zqn by Molmil
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the complex with IMP and the inhibitor P41
分子名称: 2-chloro-N,N-dimethyl-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]benzamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
著者Kim, Y, Makowska-Grzyska, M, Gu, M, Kavitha, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-05-10
公開日2015-06-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mycobacterium tuberculosis IMPDH in Complexes with Substrates, Products and Antitubercular Compounds.
Plos One, 10, 2015
4ZQM
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BU of 4zqm by Molmil
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the complex with XMP and NAD
分子名称: Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, XANTHOSINE-5'-MONOPHOSPHATE
著者Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Kavitha, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-05-10
公開日2015-06-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Mycobacterium tuberculosis IMPDH in Complexes with Substrates, Products and Antitubercular Compounds.
Plos One, 10, 2015
5EVC
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BU of 5evc by Molmil
Crystal structure of putative aspartate racemase from Salmonella Typhimurium complexed with sulfate and potassium
分子名称: CHLORIDE ION, FLUORIDE ION, FORMIC ACID, ...
著者Maltseva, N, Kim, Y, Stam, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-11-19
公開日2015-12-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of putative aspartate racemase from Salmonella Typhimurium complexed with sulfate and potassium
To be published
6V4W
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BU of 6v4w by Molmil
The crystal structure of a beta-lactamase from Chitinophaga pinensis DSM 2588
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, Beta-lactamase, ...
著者Tan, K, Welk, L, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-12-02
公開日2019-12-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献The crystal structure of a beta-lactamase from Chitinophaga pinensis DSM 2588
To Be Published
7T9P
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BU of 7t9p by Molmil
Cryo-EM structure of Human Enterovirus D68 US/MO/14-18947 strain native virion
分子名称: viral protein 1, viral protein 2, viral protein 3, ...
著者Fu, J, Klose, T, Kuhn, R.J, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-12-19
公開日2023-01-25
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2 Å)
主引用文献Isoxazole-3-Carboxamide Derivatives of Pleconaril Destabilize the Viral Capsid of Enterovirus-D68
To Be Published
7TAH
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BU of 7tah by Molmil
Cryo-EM structure of Human Enterovirus D68 US/MO/14-18947 strain in complex with inhibitor 11526091 (no/low occupancy-no inhibitor modeled)
分子名称: viral protein 1, viral protein 2, viral protein 3, ...
著者Fu, J, Klose, T, Kuhn, R.J, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-12-20
公開日2023-01-25
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Isoxazole-3-Carboxamide Derivatives of Pleconaril Destabilize the Viral Capsid of Enterovirus-D68
To Be Published
7TAJ
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BU of 7taj by Molmil
Cryo-EM structure of Human Enterovirus D68 US/MO/14-18947 strain in complex with inhibitor 11526093 (no/low occupancy-no inhibitor modeled)
分子名称: viral protein 1, viral protein 2, viral protein 3, ...
著者Fu, J, Klose, T, Kuhn, R.J, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-12-20
公開日2023-01-25
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2 Å)
主引用文献Isoxazole-3-Carboxamide Derivatives of Pleconaril Destabilize the Viral Capsid of Enterovirus-D68
To Be Published
7TAF
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BU of 7taf by Molmil
Cryo-EM structure of Human Enterovirus D68 US/MO/14-18947 strain virion in complex with inhibitor 11526092
分子名称: N,N-dimethyl-5-(3-{2-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy}propyl)-1,2-oxazole-3-carboxamide, viral protein 1, viral protein 2, ...
著者Fu, J, Klose, T, Kuhn, R.J, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-12-20
公開日2023-01-25
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2 Å)
主引用文献Isoxazole-3-Carboxamide Derivatives of Pleconaril Destabilize the Viral Capsid of Enterovirus-D68
To Be Published
7TAG
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BU of 7tag by Molmil
Cryo-EM structure of Human Enterovirus D68 US/MO/14-18947 strain virion in complex with pleconaril
分子名称: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE, viral protein 1, viral protein 2, ...
著者Fu, J, Klose, T, Kuhn, R.J, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-12-20
公開日2023-01-25
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Isoxazole-3-Carboxamide Derivatives of Pleconaril Destabilize the Viral Capsid of Enterovirus-D68
To Be Published
5F1Q
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BU of 5f1q by Molmil
Crystal Structure of Periplasmic Dipeptide Transport Protein from Yersinia pestis
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Kim, Y, Zhou, M, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-11-30
公開日2015-12-23
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (1.956 Å)
主引用文献Crystal Structure of Periplasmic Dipeptide Transport Protein from Yersinia pestis
To Be Published
6WJT
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BU of 6wjt by Molmil
2.0 Angstrom Resolution Crystal Structure of Nsp16-Nsp10 Heterodimer from SARS-CoV-2 in Complex with S-Adenosyl-L-Homocysteine
分子名称: 2'-O-methyltransferase, FORMIC ACID, Non-structural protein 10, ...
著者Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-14
公開日2020-04-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-resolution structures of the SARS-CoV-2 2'- O -methyltransferase reveal strategies for structure-based inhibitor design.
Sci.Signal., 13, 2020
6WGQ
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BU of 6wgq by Molmil
The crystal structure of a beta-lactamase from Shigella flexneri 2a str. 2457T
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase, CHLORIDE ION, ...
著者Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-06
公開日2020-04-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystal structure of a beta-lactamase from Shigella flexneri 2a str. 2457T
To Be Published
6WVN
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BU of 6wvn by Molmil
Crystal Structure of Nsp16-Nsp10 from SARS-CoV-2 in Complex with 7-methyl-GpppA and S-Adenosylmethionine.
分子名称: 2'-O-methyltransferase, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, ADENINE, ...
著者Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-05-06
公開日2020-05-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-resolution structures of the SARS-CoV-2 2'- O -methyltransferase reveal strategies for structure-based inhibitor design.
Sci.Signal., 13, 2020
7JIT
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BU of 7jit by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder495 inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(carbamoylcarbamoyl)amino]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, ACETATE ION, ...
著者Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-07-23
公開日2020-08-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
7JIR
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BU of 7jir by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder457 inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, ACETATE ION, ...
著者Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-07-23
公開日2020-08-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
7JHE
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BU of 7jhe by Molmil
Room Temperature Structure of SARS-CoV-2 Nsp10/Nsp16 Methyltransferase in a Complex with 2'-O-methylated m7GpppA Cap-1 and SAH Determined by Fixed-Target Serial Crystallography
分子名称: 2'-O-methyltransferase, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE, ...
著者Wilamowski, M, Sherrell, D.A, Minasov, G, Kim, Y, Shuvalova, L, Lavens, A, Chard, R, Rosas-Lemus, M, Maltseva, N, Jedrzejczak, R, Michalska, K, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-07-20
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献2'-O methylation of RNA cap in SARS-CoV-2 captured by serial crystallography.
Proc.Natl.Acad.Sci.USA, 118, 2021
6WRH
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BU of 6wrh by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant
分子名称: CHLORIDE ION, GLYCEROL, Non-structural protein 3, ...
著者Osipiuk, J, Tesar, C, Jedrzejczak, R, Endres, M, Welk, L, Babnigg, G, Kim, Y, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-29
公開日2020-05-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
6WQ3
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BU of 6wq3 by Molmil
Crystal Structure of Nsp16-Nsp10 Heterodimer from SARS-CoV-2 in Complex with 7-methyl-GpppA and S-adenosyl-L-homocysteine.
分子名称: 2'-O-methyltransferase, 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Non-structural protein 10, ...
著者Minasov, G, Shuvalova, L, Rosas-Lemus, M, Brunzelle, J.S, Kiryukhina, O, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-28
公開日2020-05-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献High-resolution structures of the SARS-CoV-2 2'- O -methyltransferase reveal strategies for structure-based inhibitor design.
Sci.Signal., 13, 2020
6WRZ
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BU of 6wrz by Molmil
Crystal Structure of Nsp16-Nsp10 Heterodimer from SARS-CoV-2 with 7-methyl-GpppA and S-adenosyl-L-homocysteine in the Active Site and Sulfates in the mRNA Binding Groove.
分子名称: 2'-O-methyltransferase, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
著者Minasov, G, Shuvalova, L, Rosas-Lemus, M, Brunzelle, J.S, Kiryukhina, O, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-30
公開日2020-05-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献High-resolution structures of the SARS-CoV-2 2'- O -methyltransferase reveal strategies for structure-based inhibitor design.
Sci.Signal., 13, 2020
7JIW
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BU of 7jiw by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder530 inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, CHLORIDE ION, ...
著者Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-07-23
公開日2020-08-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
7JIV
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BU of 7jiv by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder530 inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, ACETATE ION, ...
著者Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-07-23
公開日2020-08-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
6W61
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BU of 6w61 by Molmil
Crystal Structure of the methyltransferase-stimulatory factor complex of NSP16 and NSP10 from SARS CoV-2.
分子名称: 1,2-ETHANEDIOL, 2'-O-methyltransferase, CHLORIDE ION, ...
著者Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-03-15
公開日2020-03-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of nsp10-nsp16 heterodimer from SARS-CoV-2 in complex with S-adenosylmethionine
Biorxiv, 2020
6W02
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BU of 6w02 by Molmil
Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2 in the complex with ADP ribose
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3
著者Michalska, K, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-02-28
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes.
Iucrj, 7, 2020
6WCF
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BU of 6wcf by Molmil
Crystal Structure of ADP ribose phosphatase of NSP3 from SARS-CoV-2 in complex with MES
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Non-structural protein 3
著者Michalska, K, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-03-30
公開日2020-04-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.065 Å)
主引用文献Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes.
Iucrj, 7, 2020
6ALL
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BU of 6all by Molmil
Crystal structure of a predicted ferric/iron (III) hydroxymate siderophore substrate binding protein from Bacillus anthracis
分子名称: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Fe(3+)-citrate-binding protein yfmC
著者Stogios, P.J, Wawrzak, Z, Skarina, T, Grimshaw, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-08-08
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Crystal structure of a predicted ferric/iron (III) hydroxymate siderophore substrate binding protein from Bacillus anthracis
To Be Published

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件を2024-07-17に公開中

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