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PDB: 1086 件
6VH3
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2.20 A resolution structure of MERS 3CL protease in complex with inhibitor 7j
分子名称: (1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Orf1a protein
著者Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C.
登録日2020-01-09
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
6VH2
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2.26 A resolution structure of MERS 3CL protease in complex with inhibitor 7i
分子名称: 4,4-difluorocyclohexyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate, Orf1a protein
著者Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C.
登録日2020-01-09
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
7JPE
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Room Temperature Structure of SARS-CoV-2 Nsp10/Nsp16 Methyltransferase in a Complex with m7GpppA Cap-0 and SAM Determined by Fixed-Target Serial Crystallography
分子名称: 2'-O-methyltransferase, 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Non-structural protein 10, ...
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2020-08-07
公開日2020-08-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.18 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
6VH0
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1.95 A resolution structure of MERS 3CL protease in complex with inhibitor 6g
分子名称: N~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, Orf1a protein
著者Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C.
登録日2020-01-09
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
6VH1
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2.30 A resolution structure of MERS 3CL protease in complex with inhibitor 6h
分子名称: N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, Orf1a protein
著者Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C.
登録日2020-01-09
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
6VC5
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1.6 Angstrom Resolution Crystal Structure of endoglucanase from Komagataeibacter sucrofermentans
分子名称: Endoglucanase, GLYCEROL
著者Wu, R, Kim, Y, Jedrzrjczak, R, Joachimiak, A.
登録日2019-12-20
公開日2020-12-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献1.6 Angstrom Resolution Crystal Structure of endoglucanase from Komagataeibacter sucrofermentans
To Be Published
6VGZ
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2.25 A resolution structure of MERS 3CL protease in complex with inhibitor 6d
分子名称: N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-L-leucinamide, Orf1a protein
著者Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C.
登録日2020-01-09
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
7JHE
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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
6VJC
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LmFPPS mutant T164Y in complex with 476A, IPP & Ca
分子名称: 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ...
著者Maheshwari, S, Kim, Y.S, Aripirala, S, Gabelli, S.B.
登録日2020-01-15
公開日2020-11-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase.
Biochemistry, 59, 2020
6W5H
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1.85 A resolution structure of Norovirus 3CL protease in complex with inhibitor 5d
分子名称: 2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate, 3C-LIKE PROTEASE
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C.
登録日2020-03-13
公開日2020-09-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Guided Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease.
J.Med.Chem., 63, 2020
6W6Y
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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
6W2A
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1.65 A resolution structure of SARS-CoV 3CL protease in complex with inhibitor 7j
分子名称: (1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Replicase polyprotein 1a, [4,4-bis(fluoranyl)cyclohexyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
著者Kashipathy, M.M, Lovell, S, Battaile, K.P, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C.
登録日2020-03-05
公開日2020-08-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
6W5L
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2.1 A resolution structure of Norovirus 3CL protease in complex with inhibitor 7g
分子名称: (2~{S})-~{N}-[(1~{R})-1-[bis($l^{1}-oxidanyl)-methoxy-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[[2-(3-chlorophenyl)-2-methyl-propoxy]-oxidanylidene-methyl]amino]-4-methyl-pentanamide, 3C-LIKE PROTEASE
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C.
登録日2020-03-13
公開日2020-09-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease.
J.Med.Chem., 63, 2020
6W02
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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
2NCY
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BU of 2ncy by Molmil
Solution structure of pseudin-2 analog (Ps-P)
分子名称: Pseudin-2
著者Jeon, D, Kim, J, Shin, A, Kim, Y.
登録日2016-04-18
公開日2017-04-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Optimum Balance between the Cationicity and Structural Component for Bacterial Cell Selectivity and Anti-inflammatory activities of Pseudin-2 and its Analogs
To be Published
7F4U
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Cryo-EM structure of TELO2-TTI1-TTI2 complex
分子名称: TELO2-interacting protein 1 homolog, TELO2-interacting protein 2, Telomere length regulation protein TEL2 homolog
著者Cho, Y, Kim, Y.
登録日2021-06-21
公開日2022-06-22
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structure of the Human TELO2-TTI1-TTI2 Complex.
J.Mol.Biol., 434, 2022
6W7I
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BU of 6w7i by Molmil
LmFPPS mutant T164W in complex with 476A, IPP & Ca
分子名称: 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ...
著者Maheshwari, S, Kim, Y.S, Aripirala, S, Gabelli, S.B.
登録日2020-03-19
公開日2020-10-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase.
Biochemistry, 59, 2020
6W5K
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1.95 A resolution structure of Norovirus 3CL protease in complex with inhibitor 5g
分子名称: 3C-LIKE PROTEASE, N~2~-{[2-(3-chlorophenyl)-2-methylpropoxy]carbonyl}-N-{(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C.
登録日2020-03-13
公開日2020-09-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-Guided Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease.
J.Med.Chem., 63, 2020
6W9C
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The crystal structure of papain-like protease of SARS CoV-2
分子名称: CHLORIDE ION, Non-structural protein 3, ZINC ION
著者Osipiuk, J, Jedrzejczak, R, Tesar, C, Endres, M, Stols, L, Babnigg, G, Kim, Y, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-03-22
公開日2020-04-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The crystal structure of papain-like protease of SARS CoV-2
to be published
7LZZ
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Structure of SARS-CoV-2 3CL protease in complex with inhibitor 5c
分子名称: (1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1r,4S)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1r,4S)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Kim, Y, Perera, K.D, Jesri, A.R.M, Nguyen, H.N, Baird, M.A, Miller, M.J, Groutas, W.C, Chang, K.O.
登録日2021-03-10
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies.
J.Med.Chem., 64, 2021
7LZY
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Structure of SARS-CoV-2 3CL protease in complex with inhibitor 3c
分子名称: (1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Kim, Y, Perera, K.D, Jesri, A.R.M, Nguyen, H.N, Baird, M.A, Miller, M.J, Groutas, W.C, Chang, K.O.
登録日2021-03-10
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies.
J.Med.Chem., 64, 2021
7LZT
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Structure of SARS-CoV-2 3CL protease in complex with inhibitor 8b
分子名称: (1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ...
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Kim, Y, Perera, K.D, Jesri, A.R.M, Nguyen, H.N, Baird, M.A, Miller, M.J, Groutas, W.C, Chang, K.O.
登録日2021-03-10
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies.
J.Med.Chem., 64, 2021
6W5J
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1.85 A resolution structure of Norovirus 3CL protease in complex with inhibitor 7d
分子名称: 2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate, 3C-LIKE PROTEASE
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C.
登録日2020-03-13
公開日2020-09-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Guided Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease.
J.Med.Chem., 63, 2020
5UZC
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Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and P221
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, ...
著者Maltseva, N, Kim, Y, Mulligan, R, Makowska-Grzyska, M, Gu, M, Gollapalli, D.R, Hedstrom, L, Joachimiak, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-02-26
公開日2017-03-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and P221
To Be Published
6UHE
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Closed-form Crystal Structure of Human RYR Receptor 3 ( 848-1055)
分子名称: Ryanodine receptor 3
著者Wu, R, Kim, Y, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2019-09-27
公開日2020-08-05
実験手法X-RAY DIFFRACTION (2.892 Å)
主引用文献Closed-form Crystal Structure of Human RYR Receptor 3 ( 848-1055)
To Be Published

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件を2024-07-31に公開中

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