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7JW8
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BU of 7jw8 by Molmil
Crystal structure of SARS-CoV-2 3CL protease in complex with compound 4 in space group P1
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase, ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
著者Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D.
登録日2020-08-25
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors.
Nat Commun, 12, 2021
7JSU
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BU of 7jsu by Molmil
Crystal structure of SARS-CoV-2 3CL protease in complex with GC376
分子名称: 3C-like proteinase, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, PHOSPHATE ION
著者Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D.
登録日2020-08-16
公開日2021-03-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors.
Nat Commun, 12, 2021
7JT7
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BU of 7jt7 by Molmil
Crystal structure of SARS-CoV-2 3CL protease in complex with compound 4
分子名称: 3C-like proteinase, ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
著者Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Huang, Y, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D.
登録日2020-08-17
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors.
Nat Commun, 12, 2021
2IBO
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BU of 2ibo by Molmil
X-ray Crystal Structure of Protein SP2199 from Streptococcus pneumoniae. Northeast Structural Genomics Consortium Target SpR31
分子名称: Hypothetical protein SP2199
著者Seetharaman, J, Abashidze, M, Forouhar, F, Shastry, R, Conover, K, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-09-11
公開日2006-10-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the hypothetical protein SP2199 from Streptococcus pneumoniae, Northeast structural genomics target SpR31
To be Published
2IDB
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BU of 2idb by Molmil
Crystal Structure of 3-octaprenyl-4-hydroxybenzoate decarboxylase (UbiD) from Escherichia coli, Northeast Structural Genomics Target ER459.
分子名称: 1,2-ETHANEDIOL, 3-octaprenyl-4-hydroxybenzoate carboxy-lyase, PENTAETHYLENE GLYCOL
著者Zhou, W, Forouhar, F, Seetharaman, J, Fang, Y, Xiao, R, Cunningham, K, Ma, L.-C, Chen, C.X, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-09-14
公開日2006-10-24
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of 3-octaprenyl-4-hydroxybenzoate decarboxylase (UbiD) from Escherichia coli, Northeast Structural Genomics Target ER459.
TO BE PUBLISHED
7JST
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BU of 7jst by Molmil
Crystal structure of SARS-CoV-2 3CL in apo form
分子名称: 3C-like proteinase, PHOSPHATE ION
著者Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Huang, Y, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D.
登録日2020-08-16
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors.
Nat Commun, 12, 2021
2H4O
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BU of 2h4o by Molmil
X-ray Crystal Structure of Protein yonK from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR415
分子名称: YonK protein
著者Seetharaman, J, Sue, M, Forouhar, F, Ken, C, Bonnie, C, Ma, L, Xiao, R, Acton, T.B, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-05-24
公開日2006-07-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the hypothetical protein from bacillus subtilis (yonk).
To be Published
2GTC
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BU of 2gtc by Molmil
Crystal structure of the hypthetical protein from Bacillus cereus (ATCC 14579). Northeast structural genomics Target BcR11
分子名称: UPF0145 protein BC_1816
著者Seetharaman, J, Abashidze, M, Forouhar, F, Conover, K, Cooper, B, Ma, L.-C, Xiao, R, Acton, T.B, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2006-04-27
公開日2006-05-16
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the hypthetical protein from Bacillus cereus (ATCC 14579). Northeast structural genomics Target BcR11
To be Published
2KW2
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BU of 2kw2 by Molmil
Solution NMR of the specialized acyl carrier protein (RPA2022) from Rhodopseudomonas palustris, Northeast Structural Genomics Consortium Target RpR324
分子名称: Specialized acyl carrier protein
著者Rossi, P, Lee, H, Wohlbold, T.J, Valafar, H, Lemak, A, Ertekin, A, Forouhar, F, Ciccosanti, C, Rost, B, Acton, T, Xiao, R, Everett, J, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2010-03-30
公開日2010-04-21
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure of a specialized acyl carrier protein essential for lipid A biosynthesis with very long-chain fatty acids in open and closed conformations.
Biochemistry, 51, 2012
2G9D
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BU of 2g9d by Molmil
Crystal Structure of Succinylglutamate desuccinylase from Vibrio cholerae, Northeast Structural Genomics Target VcR20
分子名称: Succinylglutamate desuccinylase
著者Zhou, W, Jayaraman, S, Forouhar, F, Conover, K, Rong, X, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2006-03-06
公開日2006-04-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of Succinylglutamate desuccinylase from Vibrio cholerae, Northeast Structural Genomics Target VcR20.
To be Published
2O8S
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BU of 2o8s by Molmil
X-ray Crystal Structure of Protein AGR_C_984 from Agrobacterium tumefaciens. Northeast Structural Genomics Consortium Target AtR120.
分子名称: AGR_C_984p, SULFATE ION
著者Seetharaman, J, Forouhar, F, Su, M, Zhao, L, Cunningham, K, Ma, L.-C, Janjua, H, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-12-12
公開日2007-01-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the Hypothetical Protein AGR_C_984 from Agrobacterium tumefaciens, Northeast Structural Genomics Target AtR120.
To be Published
2NWA
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BU of 2nwa by Molmil
X-ray Crystal Structure of Protein ytmB from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR466
分子名称: Hypothetical protein ytmB, SULFATE ION
著者Zhou, W, Forouhar, F, Seetharaman, J, Wang, D, Cunningham, K, Ma, L.-C, Fang, Y, Xiao, R, Baran, M.C, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-11-14
公開日2007-01-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of the Hypothetical protein YtmB from Bacillus subtilis subsp. (subtilis str. 168), Northeast Structural Genomics target SR466
To be Published
2NMM
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BU of 2nmm by Molmil
Crystal structure of human phosphohistidine phosphatase. Northeast Structural Genomics Consortium target HR1409
分子名称: 14 kDa phosphohistidine phosphatase, SULFATE ION
著者Kuzin, A.P, Abashidze, M, Forouhar, F, Seetharaman, J, Kent, C, Fang, Y, Cunningham, K, Conover, K, Ma, L.C, Xiao, R, Acton, T, Montelione, G, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2006-10-22
公開日2007-01-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of human phosphohistidine phosphatase. Northeast Structural Genomics Consortium target HR1409
To be Published
2PJQ
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BU of 2pjq by Molmil
Crystal structure of Q88U62_LACPL from Lactobacillus plantarum. Northeast Structural Genomics target LpR71
分子名称: Uncharacterized protein lp_2664
著者Benach, J, Su, M, Seetharaman, J, Forouhar, F, Chen, C.X, Cunningham, K, Ma, L.-C, Owens, L, Baran, M, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2007-04-16
公開日2007-05-01
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of Q88U62_LACPL from Lactobacillus plantarum.
To be Published
2PIH
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BU of 2pih by Molmil
Crystal structure of Protein ymcA from Bacillus subtilis, NorthEast Structural Genomics target SR375
分子名称: Protein ymcA
著者Seetharaman, J, Abashidze, M, Forouhar, F, Wang, D, Fang, Y, Cunningham, K, Ma, L.-C, Xia, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2007-04-13
公開日2007-05-01
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of Protein ymcA from Bacillus subtilis.
To be Published
2PIF
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BU of 2pif by Molmil
Crystal structure of UPF0317 protein PSPTO_5379 from Pseudomonas syringae pv. tomato. NorthEast Structural Genomics target PsR181
分子名称: UPF0317 protein PSPTO_5379
著者Seetharaman, J, Abashidze, M, Forouhar, F, Wang, D, Fang, Y, Cunningham, K, Ma, L.-C, Xia, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2007-04-13
公開日2007-05-01
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of UPF0317 protein PSPTO_5379 from Pseudomonas syringae pv. tomato.
To be Published
2PSB
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BU of 2psb by Molmil
Crystal structure of YerB protein from Bacillus subtilis. NorthEast Structural Genomics target SR586
分子名称: YerB protein
著者Seetharaman, J, Chen, Y, Forouhar, F, Wang, D, Fang, Y, Cunningham, K, Ma, L.-C, Xia, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2007-05-04
公開日2007-05-15
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of YerB protein from Bacillus subtilis.
To be Published
2P3Y
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BU of 2p3y by Molmil
Crystal structure of VPA0735 from Vibrio parahaemolyticus. NorthEast Structural Genomics target VpR109
分子名称: Hypothetical protein VPA0735
著者Seetharaman, J, Neely, H, Forouhar, F, Wang, D, Fang, Y, Cunningham, K, Ma, L.-C, Xia, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2007-03-10
公開日2007-03-27
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of VPA0735 from Vibrio parahaemolyticus.
To be Published
3EQE
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BU of 3eqe by Molmil
Crystal structure of the YubC protein from Bacillus subtilis. Northeast Structural Genomics Consortium target SR112.
分子名称: FE (III) ION, Putative cystein dioxygenase
著者Vorobiev, S.M, Su, M, Seetharaman, J, Benach, J, Forouhar, F, Clayton, G, Cooper, B, Wang, H, Foote, E.L, Ciccosanti, C, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2008-09-30
公開日2008-10-14
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Crystal structure of the YubC protein from Bacillus subtilis.
To be Published
3FHW
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BU of 3fhw by Molmil
Crystal structure of the protein priB from Bordetella parapertussis. Northeast Structural Genomics Consortium target BpR162.
分子名称: DI(HYDROXYETHYL)ETHER, Primosomal replication protein n, SODIUM ION
著者Kuzin, A.P, Neely, H, Seetharaman, J, Forouhar, F, Wang, D, Mao, L, Maglaqui, M, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2008-12-10
公開日2008-12-30
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the protein priB from Bordetella parapertussis. Northeast Structural Genomics Consortium target BpR162.
To be Published
3D0W
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BU of 3d0w by Molmil
Crystal structure of YflH protein from Bacillus subtilis. Northeast Structural Genomics Consortium target SR326
分子名称: YflH protein
著者Seetharaman, J, Kuzin, A.P, Neely, H, Forouhar, F, Min, S, Zhao, L, Fang, Y, Owens, L, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2008-05-02
公開日2008-05-20
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of YflH protein from Bacillus subtilis.
To be Published
3FLH
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BU of 3flh by Molmil
Crystal structure of lp_1913 protein from Lactobacillus plantarum,Northeast Structural Genomics Consortium Target LpR140B
分子名称: BROMIDE ION, uncharacterized protein lp_1913
著者Seetharaman, J, Chen, Y, Forouhar, F, Sahdev, S, Foote, E.L, Ciccosanti, C, Belote, R.L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2008-12-18
公開日2009-01-13
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of lp_1913 protein from Lactobacillus plantarum,Northeast Structural Genomics Consortium Target LpR140B
To be Published
3FDF
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BU of 3fdf by Molmil
Crystal structure of the serine phosphatase of RNA polymerase II CTD (SSU72 superfamily) from Drosophila melanogaster. Orthorhombic crystal form. Northeast Structural Genomics Consortium target FR253.
分子名称: FR253
著者Kuzin, A.P, Chen, Y, Seetharaman, J, Forouhar, F, Chinag, Y, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2008-11-25
公開日2009-01-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Orthorombic crystal structure of serine phosphatase of rna polymerase ii ctd from fly drosofila melanogaster. northeast structural genomics consortium target fr253.
To be Published
3FMV
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BU of 3fmv by Molmil
Crystal structure of the serine phosphatase of RNA polymerase II CTD (SSU72 superfamily) from Drosophila melanogaster. Monoclinic crystal form. Northeast Structural Genomics Consortium target FR253.
分子名称: Serine phosphatase of RNA polymerase II CTD
著者Kuzin, A.P, Chen, Y, Seetharaman, J, Forouhar, F, Chinag, Y, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2008-12-22
公開日2009-01-06
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Crystal structure of the serine phosphatase of RNA polymerase II CTD (SSU72 superfamily) from Drosophila melanogaster. Monoclinic crystal form. Northeast Structural Genomics Consortium target FR253.
To be Published
3FNJ
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BU of 3fnj by Molmil
Crystal structure of the full-length lp_1913 protein from Lactobacillus plantarum, Northeast Structural Genomics Consortium Target LpR140
分子名称: protein lp_1913
著者Seetharaman, J, Chen, Y, Forouhar, F, Sahdev, S, Janjua, H, Xiao, R, Ciccosanti, C, Foote, E.L, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2008-12-25
公開日2009-01-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the full-length lp_1913 protein from Lactobacillus plantarum, Northeast Structural Genomics Consortium Target LpR140
To be Published

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