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PDB: 677 results

7DGG
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BU of 7dgg by Molmil
The co-crystal structure of SARS-CoV-2 main protease with (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)hexanamide
Descriptor: (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide, 3C-like proteinase
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGI
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BU of 7dgi by Molmil
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor N-((S)-3-methyl-1-(((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)amino)pentan-2-yl)amino)-1-oxobutan-2-yl)-4-nitrobenzamide
Descriptor: 3C-like proteinase, ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7CYQ
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BU of 7cyq by Molmil
Cryo-EM structure of an extended SARS-CoV-2 replication and transcription complex reveals an intermediate state in cap synthesis
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Helicase, MAGNESIUM ION, ...
Authors:Yan, L, Ge, J, Zheng, L, Zhang, Y, Gao, Y, Wang, T, Wang, H, Huang, Y, Li, M, Wang, Q, Rao, Z, Lou, Z.
Deposit date:2020-09-04
Release date:2020-12-09
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Cryo-EM Structure of an Extended SARS-CoV-2 Replication and Transcription Complex Reveals an Intermediate State in Cap Synthesis.
Cell, 184, 2021
2JRR
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BU of 2jrr by Molmil
Solution NMR Structure of Q5LLS5 from Silicibacter pomeroyi. Northeast Structural Genomics Consortium target SiR90
Descriptor: Uncharacterized protein
Authors:Swapna, G.V.T, Tejero, R, Jiang, M, Cunningham, K, Maglaqui, M, Owens, L, Liu, J, Wang, H, Acton, T.B, Xiao, R, Baran, M.C, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-06-28
Release date:2007-07-17
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution NMR Structure of Q5LLS5 from Silicibacter pomeroyi.
To be Published
2JOV
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BU of 2jov by Molmil
NMR Structure of Clostridium Perfringens Protein CPE0013. Northeast Structural Genomics Target CpR31.
Descriptor: Hypothetical protein CPE0013
Authors:Ding, K, Ramelot, T.A, Anklin, C.G, Wang, H, Nwosu, C, Cunningham, K, Ma, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-04-04
Release date:2007-05-08
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:NMR structure of Clostridium perfringens protein CPE0013.
To be Published
2K5P
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BU of 2k5p by Molmil
NMR Solution Structure of a Thiamine Biosynthesis Protein from Geobacter Metallireducens: Northeast Structural Genomics Consortium Target GmR137
Descriptor: thiamine-biosynthesis protein
Authors:Mani, R, Wang, H, Jiang, M, Magliaqui, M, Xiao, R, Nair, R, Baran, M.C, Gurla, S.V.T, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-06-30
Release date:2008-08-26
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:NMR Solution Structure of a Thiamine Biosynthesis Protein from Geobacter Metallireducens: Northeast Structural Genomics Consortium Target GmR137
To be Published
2KCZ
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BU of 2kcz by Molmil
Solution NMR structure of the C-terminal domain of protein DR_A0006 from Deinococcus radiodurans. Northeast Structural Genomics Consortium Target DrR147D
Descriptor: Uncharacterized protein DR_A0006
Authors:Mills, J.L, Ghosh, A, Garcia, E, Wang, H, Ciccosanti, C, Xiao, R, Nair, R, Everett, J.K, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-12-31
Release date:2009-01-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution NMR Structure of the C-Terminal Domain of Protein DR_A0006 from Deinococcus radiodurans. Northeast Structural Genomics Consortium Target DrR147D.
To be Published
7CXN
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BU of 7cxn by Molmil
Architecture of a SARS-CoV-2 mini replication and transcription complex
Descriptor: Helicase, Non-structural protein 7, Non-structural protein 8, ...
Authors:Yan, L, Zhang, Y, Ge, J, Zheng, L, Gao, Y, Wang, T, Jia, Z, Wang, H, Huang, Y, Li, M, Wang, Q, Rao, Z, Lou, Z.
Deposit date:2020-09-02
Release date:2020-11-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Architecture of a SARS-CoV-2 mini replication and transcription complex.
Nat Commun, 11, 2020
7CXM
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BU of 7cxm by Molmil
Architecture of a SARS-CoV-2 mini replication and transcription complex
Descriptor: Helicase, Non-structural protein 7, Non-structural protein 8, ...
Authors:Yan, L, Zhang, Y, Ge, J, Zheng, L, Gao, Y, Wang, T, Jia, Z, Wang, H, Huang, Y, Li, M, Wang, Q, Rao, Z, Lou, Z.
Deposit date:2020-09-02
Release date:2020-11-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Architecture of a SARS-CoV-2 mini replication and transcription complex.
Nat Commun, 11, 2020
2K5R
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BU of 2k5r by Molmil
Solution NMR Structure of XF2673 from Xylella fastidiosa. Northeast Structural Genomics Consortium Target XfR39
Descriptor: uncharacterized protein XF2673
Authors:Tang, Y, Wang, H, Jiang, M, Maglaqui, M, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-06-30
Release date:2008-08-26
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution NMR Structure of XF2673 from Xylella fastidiosa. Northeast Structural Genomics Consortium Target XfR39
To be Published
2KKS
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BU of 2kks by Molmil
Solution Structure Of Protein DSY2949 From Desulfitobacterium hafniense. Northeast Structural Genomics Consortium Target DhR27
Descriptor: Uncharacterized protein
Authors:Wu, Y, Mills, J.L, Wang, H, Ciccosanti, C, Jiang, M, Sukumaran, D, Zhang, Q, Nair, R, Rost, B, Acton, T, Xiao, R, Swapna, G.V.T, Everett, J, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-06-29
Release date:2009-08-25
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution Structure Of Protein DSY2949 From Desulfitobacterium hafniense. Northeast Structural Genomics Consortium Target DhR27
To be Published
2KKP
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BU of 2kkp by Molmil
Solution NMR structure of the phage integrase SAM-like Domain from Moth 1796 from Moorella thermoacetica. Northeast Structural Genomics Consortium Target MtR39K (residues 64-171).
Descriptor: Phage integrase
Authors:Ramelot, T.A, Wang, H, Ciccosanti, C, Jang, M, Nair, R, Rost, B, Swapna, G, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-06-26
Release date:2009-09-08
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution NMR structure of the phage integrase SAM-like Domain from Moth 1796 from Moorella thermoacetica. Northeast Structural Genomics Consortium Target MtR39K (residues 64-171).
To be Published
2KHD
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BU of 2khd by Molmil
Solution NMR structure of VC_A0919 from Vibrio cholerae. Northeast Structural Genomics Consortium Target VcR52
Descriptor: Uncharacterized protein VC_A0919
Authors:Ramelot, T.A, Cort, J.R, Wang, H, Ciccosanti, C, Jiang, M, Liu, J, Rost, B, Swapna, G.V.T, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-04-02
Release date:2009-06-16
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution NMR structure of VC_A0919 from Vibrio cholerae. Northeast Structural Genomics Consortium Target VcR52.
To be Published
2KQ8
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BU of 2kq8 by Molmil
Solution NMR structure of a domain from BT9727_4915 from Bacillus thuringiensis, Northeast Structural Genomics Consortium Target BuR95A
Descriptor: Cell wall hydrolase
Authors:He, Y, Mills, J.L, Wu, Y, Eletsky, A, Wang, H, Ciccosanti, C, Hamilton, K, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-10-30
Release date:2010-01-26
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution NMR structure of a domain from BT9727_4915 from Bacillus thuringiensis, Northeast Structural Genomics Consortium Target BuR95A
To be Published
2K5L
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BU of 2k5l by Molmil
Solution NMR Structure of Protein FeoA from Clostridium thermocellum, Northeast Structural Genomics Consortium Target CmR17
Descriptor: FeoA
Authors:Zeri, A, Singarapu, K.K, Mills, J.L, Wu, Y, Garcia, E, Wang, H, Jiang, M, Foote, E.L, Xiao, R, Nair, R, Everett, J.K, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-06-29
Release date:2008-09-02
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution NMR Structure of Protein FeoA from Clostridium thermocellum, Northeast Structural Genomics Consortium Target CmR17
To be Published
2JRP
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BU of 2jrp by Molmil
Solution NMR Structure of YfgJ from Salmonella typhimurium Modeled with Two Zn+2 Bound, Northeast Structural Genomics Consortium Target StR86
Descriptor: Putative cytoplasmic protein, ZINC ION
Authors:Ding, K, Ramelot, T.A, Cort, J.R, Wang, H, Nwosu, C, Cunningham, K, Owens, L, Ma, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-06-28
Release date:2007-07-10
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution NMR Structure of YfgJ from Salmonella typhimurium Modeled with Two Zn+2 Bound.
To be Published
2L3F
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BU of 2l3f by Molmil
Solution NMR Structure of a putative Uracil DNA glycosylase from Methanosarcina acetivorans, Northeast Structural Genomics Consortium Target MvR76
Descriptor: Uncharacterized protein
Authors:Aramini, J.M, Hamilton, K, Ciccosanti, C.T, Wang, H, Lee, H.W, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-09-13
Release date:2010-10-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR Structure of a putative Uracil DNA glycosylase from Methanosarcina acetivorans, Northeast Structural Genomics Consortium Target MvR76
To be Published
8G9C
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BU of 8g9c by Molmil
Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 5- difluoromethylenebisphosphonate inositol pentakisphosphate (5-PCF2P-IP5), an analogue of 5-InsP7
Descriptor: CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, FLUORIDE ION, ...
Authors:Zong, G, Wang, H, Shears, S.
Deposit date:2023-02-21
Release date:2024-01-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Fluorination Influences the Bioisostery of Myo-Inositol Pyrophosphate Analogs.
Chemistry, 29, 2023
8G9D
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BU of 8g9d by Molmil
Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 5- phosphonodifluoroacetamide inositol pentakisphosphate (5-PCF2Am-InsP5), an analogue of 5-InsP7
Descriptor: (1,1-difluoro-2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid, Diphosphoinositol polyphosphate phosphohydrolase 1
Authors:Zong, G, Wang, H, Shears, S.
Deposit date:2023-02-21
Release date:2024-01-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fluorination Influences the Bioisostery of Myo-Inositol Pyrophosphate Analogs.
Chemistry, 29, 2023
5XMK
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BU of 5xmk by Molmil
Cryo-EM structure of the ATP-bound Vps4 mutant-E233Q complex with Vta1 (masked)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Vacuolar protein sorting-associated protein 4, Vacuolar protein sorting-associated protein VTA1
Authors:Sun, S, Li, L, Yang, F, Wang, X, Fan, F, Li, X, Wang, H, Sui, S.
Deposit date:2017-05-15
Release date:2017-08-09
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.18 Å)
Cite:Cryo-EM structures of the ATP-bound Vps4(E233Q) hexamer and its complex with Vta1 at near-atomic resolution
Nat Commun, 8, 2017
8HZW
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BU of 8hzw by Molmil
The NMR structure of noursinH11W peptide
Descriptor: noursinH11W
Authors:Yao, H, Li, Y, Zhang, T, Gao, J, Wang, H.
Deposit date:2023-01-09
Release date:2023-05-31
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Discovery and biosynthesis of tricyclic copper-binding ribosomal peptides containing histidine-to-butyrine crosslinks.
Nat Commun, 14, 2023
5XMI
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BU of 5xmi by Molmil
Cryo-EM Structure of the ATP-bound VPS4 mutant-E233Q hexamer (masked)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Vacuolar protein sorting-associated protein 4
Authors:Sun, S, Li, L, Yang, F, Wang, X, Fan, F, Li, X, Wang, H, Sui, S.
Deposit date:2017-05-15
Release date:2017-08-09
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM structures of the ATP-bound Vps4(E233Q) hexamer and its complex with Vta1 at near-atomic resolution
Nat Commun, 8, 2017
5YZ0
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BU of 5yz0 by Molmil
Cryo-EM Structure of human ATR-ATRIP complex
Descriptor: ATR-interacting protein, Serine/threonine-protein kinase ATR
Authors:Rao, Q, Liu, M, Tian, Y, Wu, Z, Wang, H, Wang, J, Xu, Y.
Deposit date:2017-12-11
Release date:2018-01-31
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Cryo-EM structure of human ATR-ATRIP complex.
Cell Res., 28, 2018
3FAC
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BU of 3fac by Molmil
Crystal structure of Rhodobacter sphaeroides protein RSP_2168. Northeast Structural Genomics target RhR83.
Descriptor: Putative uncharacterized protein
Authors:Seetharaman, J, Neely, H, Forouhar, F, Wang, H, Janjua, H, Foote, E.L, Xiao, R, Everett, J.K, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-11-16
Release date:2008-12-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:

5X9J
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BU of 5x9j by Molmil
Structure of PrhC from Penicillium brasilianum NBRC 6234
Descriptor: PrhC
Authors:Mori, T, Wang, H, Matsuda, Y, Abe, I.
Deposit date:2017-03-08
Release date:2017-07-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular basis for the unusual ring reconstruction in fungal meroterpenoid biogenesis
Nat. Chem. Biol., 13, 2017

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