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4YOJ
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BU of 4yoj by Molmil
HKU4 3CLpro bound to non-covalent inhibitor 2A
分子名称: 3C-like proteinase, ACETATE ION, FORMIC ACID, ...
著者St John, S.E, Mesecar, A.
登録日2015-03-11
公開日2015-08-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4-The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS).
Bioorg.Med.Chem., 23, 2015
4YOG
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BU of 4yog by Molmil
HKU4-3CLpro bound to non-covalent inhibitor 3B
分子名称: 3C-like proteinase, ACETATE ION, N-[4-(acetylamino)phenyl]-2-(1H-benzotriazol-1-yl)-N-[(1R)-2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]acetamide
著者St John, S.E, Mesecar, A.
登録日2015-03-11
公開日2015-08-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4-The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS).
Bioorg.Med.Chem., 23, 2015
4YOI
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BU of 4yoi by Molmil
Structure of HKU4 3CLpro bound to non-covalent inhibitor 1A
分子名称: 3C-like proteinase, ACETATE ION, FORMIC ACID, ...
著者St John, S.E, Mesecar, A.
登録日2015-03-11
公開日2015-08-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4-The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS).
Bioorg.Med.Chem., 23, 2015
8SZ6
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BU of 8sz6 by Molmil
PmHMGR bound to mevaldehyde and CoA
分子名称: (3R)-3,5,5-trihydroxy-3-methylpentanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, Mevaldyl-Coenzyme A, ...
著者Purohit, V, Stauffacher, C.V, Steussy, C.N.
登録日2023-05-27
公開日2024-03-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献pH-dependent reaction triggering in PmHMGR crystals for time-resolved crystallography.
Biophys.J., 123, 2024
8VLQ
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BU of 8vlq by Molmil
Structure of PmHMGR bound to mevalonate, CoA and NAD 5 minutes after reaction initiation at pH 9
分子名称: (R)-MEVALONATE, (R)-mevaldehyde, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Purohit, V, Steussy, C.N, Stauffacher, C.V.
登録日2024-01-12
公開日2024-03-20
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献pH-dependent reaction triggering in PmHMGR crystals for time-resolved crystallography.
Biophys.J., 123, 2024
3GTX
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BU of 3gtx by Molmil
D71G/E101G mutant in organophosphorus hydrolase from Deinococcus radiodurans
分子名称: COBALT (II) ION, Organophosphorus hydrolase
著者Hawwa, R, Larsen, S, Ratia, K, Mesecar, A.
登録日2009-03-28
公開日2009-06-30
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans.
J.Mol.Biol., 393, 2009
3GTI
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BU of 3gti by Molmil
D71G/E101G/M234L mutant in organophosphorus hydrolase from Deinococcus radiodurans
分子名称: COBALT (II) ION, Organophosphorus hydrolase, SODIUM ION
著者Hawwa, R, Larsen, S, Ratia, K, Mesecar, A.
登録日2009-03-27
公開日2009-06-30
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans.
J.Mol.Biol., 393, 2009
7JRD
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BU of 7jrd by Molmil
The crystal structure of lactoferrin binding protein B (LbpB) from Neisseria meningitidis in complex with human lactoferrin
分子名称: BICARBONATE ION, FE (III) ION, Lactoferrin-binding protein B, ...
著者Yadav, R, Noinaj, N.
登録日2020-08-12
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural insight into the dual function of LbpB in mediating Neisserial pathogenesis.
Elife, 10, 2021
3F4C
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BU of 3f4c by Molmil
Crystal structure of organophosphorus hydrolase from Geobacillus stearothermophilus strain 10, with glycerol bound
分子名称: COBALT (II) ION, GLYCEROL, Organophosphorus hydrolase
著者Hawwa, R, Aikens, J, Turner, R.J, Santarsiero, B, Mesecar, A.
登録日2008-10-31
公開日2009-09-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural basis for thermostability revealed through the identification and characterization of a highly thermostable phosphotriesterase-like lactonase from Geobacillus stearothermophilus.
Arch.Biochem.Biophys., 488, 2009
3F4D
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BU of 3f4d by Molmil
Crystal structure of organophosphorus hydrolase from Geobacillus stearothermophilus strain 10
分子名称: COBALT (II) ION, Organophosphorus hydrolase
著者Hawwa, R, Aikens, J, Turner, R.J, Santarsiero, B, Mesecar, A.
登録日2008-10-31
公開日2009-08-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structural basis for thermostability revealed through the identification and characterization of a highly thermostable phosphotriesterase-like lactonase from Geobacillus stearothermophilus.
Arch.Biochem.Biophys., 488, 2009
6W6Y
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BU of 6w6y by Molmil
Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2 in complex with AMP
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, 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2020-03-18
公開日2020-03-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.451 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
6VXS
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BU of 6vxs by Molmil
Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2
分子名称: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Non-structural protein 3, ...
著者Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-02-24
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.03 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
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
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