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8CUN
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BU of 8cun by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-17
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
4MPS
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BU of 4mps by Molmil
Crystal structure of rat Beta-galactoside alpha-2,6-sialyltransferase 1 (ST6GAL1), Northeast Structural Genomics Consortium Target RnR367A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactoside alpha-2,6-sialyltransferase 1
Authors:Forouhar, F, Meng, L, Milaninia, S, Seetharaman, J, Su, M, Kornhaber, G, Montelione, G.T, Hunt, J.F, Moremen, K.W, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-09-13
Release date:2013-09-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Enzymatic Basis for N-Glycan Sialylation: STRUCTURE OF RAT alpha 2,6-SIALYLTRANSFERASE (ST6GAL1) REVEALS CONSERVED AND UNIQUE FEATURES FOR GLYCAN SIALYLATION.
J.Biol.Chem., 288, 2013
4N3P
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BU of 4n3p by Molmil
Crystal Structure of De Novo designed Serine Hydrolase OSH18, Northeast Structural Genomics Consortium (NESG) Target OR396
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, SODIUM ION, ...
Authors:Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Mao, L, Xiao, R, Kogan, S, Maglaqui, M, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-10-07
Release date:2013-11-13
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Crystal Structure of De Novo designed Serine Hydrolase OSH18, Northeast Structural Genomics Consortium (NESG) Target OR396
To be Published
4NAR
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BU of 4nar by Molmil
Crystal Structure of the Q9WYS3 protein from Thermotoga maritima. Northeast Structural Genomics Consortium Target VR152
Descriptor: ACETATE ION, Putative uronate isomerase, SULFATE ION
Authors:Vorobiev, S, Lew, S, Seetharaman, J, Chi, Y, Xiao, R, Maglaqui, M, Lee, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-10-22
Release date:2013-11-06
Method:X-RAY DIFFRACTION (2.388 Å)
Cite:Crystal Structure of the Q9WYS3 protein from Thermotoga maritima.
To be Published
4NEY
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BU of 4ney by Molmil
Crystal Structure of an engineered protein with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR277
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Engineered protein OR277, tetrabutylphosphonium
Authors:Guan, R, Lin, Y.-R, Koga, N, Koga, R, Castellanos, J, Seetharaman, J, Maglaqui, M, Sahdev, S, Mao, L, Xiao, R, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-10-30
Release date:2014-01-15
Method:X-RAY DIFFRACTION (2.323 Å)
Cite:Northeast Structural Genomics Consortium Target OR277
To be published
4NEZ
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BU of 4nez by Molmil
Crystal Structure of an engineered protein with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR276
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Engineered protein OR276, tetrabutylphosphonium
Authors:Guan, R, Lin, Y.-R, Koga, N, Koga, R, Castellanos, J, Seetharaman, J, Maglaqui, M, Sahdev, S, Mao, L, Xiao, R, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-10-30
Release date:2014-01-15
Method:X-RAY DIFFRACTION (2.395 Å)
Cite:Northeast Structural Genomics Consortium Target OR276
To be published
7KBQ
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BU of 7kbq by Molmil
Solution NMR Structure of DE NOVO DESIGNED Rossmann 3x3 Fold Protein r3x3_bp3, Northeast Structural Genomics Consortium (NESG) Target OR689
Descriptor: DE NOVO DESIGNED OR689
Authors:Liu, G, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2020-10-02
Release date:2021-05-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Role of backbone strain in de novo design of complex alpha/beta protein structures Accurate de novo design of asymetric alpha/beta proteins with ten or more secondary structure elements requires consideration of backbone strain Design principle proposed from designed larger alpha/beta-proteins not folded as designed: Consistency between local, non-local, and global structures
To Be Published
6XEH
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BU of 6xeh by Molmil
Solution NMR Structure of DE NOVO DESIGNED Rossmann 2x3 Fold Protein r2x3_168, Northeast Structural Genomics Consortium (NESG) Target OR386
Descriptor: DE NOVO DESIGNED OR386
Authors:Liu, G, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2020-06-12
Release date:2020-08-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Role of backbone strain in de novo design of complex alpha/beta protein structures Accurate de novo design of asymetric alpha/beta proteins with ten or more secondary structure elements requires consideration of backbone strain Design principle proposed from designed larger alpha/beta-proteins not folded as designed: Consistency between local, non-local, and global structures
To Be Published
2G9J
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BU of 2g9j by Molmil
Complex of TM1a(1-14)Zip with TM9a(251-284): a model for the polymerization domain ("overlap region") of tropomyosin, Northeast Structural Genomics Target OR9
Descriptor: Tropomyosin 1 alpha chain, Tropomyosin 1 alpha chain/General control protein GCN4
Authors:Greenfield, N.J, Huang, Y.J, Swapna, G.V.T, Bhattacharya, A, Singh, A, Montelione, G.T, Hitchcock-DeGregori, S.E, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-03-06
Release date:2006-11-07
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution NMR Structure of the Junction between Tropomyosin Molecules: Implications for Actin Binding and Regulation.
J.Mol.Biol., 364, 2006
2GH1
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BU of 2gh1 by Molmil
Crystal Structure of the putative SAM-dependent methyltransferase BC2162 from Bacillus cereus, Northeast Structural Genomics Target BcR20.
Descriptor: ACETATE ION, GLYCEROL, Methyltransferase
Authors:Forouhar, F, Neely, H, Jayaraman, S, Ciao, M, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-03-24
Release date:2006-04-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the putative SAM-dependent methyltransferase BC2162 from Bacillus cereus, Northeast Structural Genomics Target BcR20.
To be Published
2GF4
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BU of 2gf4 by Molmil
Crystal structure of Vng1086c from Halobacterium salinarium (Halobacterium halobium). Northeast Structural Genomics Target HsR14
Descriptor: ACETATE ION, CALCIUM ION, Protein Vng1086c
Authors:Benach, J, Zhou, W, Jayaraman, S, Forouhar, F.F, Janjua, H, Xiao, R, Ma, L.-C, Cunningham, K, Wang, D, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-03-21
Release date:2006-04-18
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal structure of Vng1086c from Halobacterium salinarium (Halobacterium halobium). Northeast Structural Genomics Target HsR14
To be Published
7JMY
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BU of 7jmy by Molmil
Solution NMR structure of human Brd3 ET domain
Descriptor: Bromodomain-containing protein 3
Authors:Aiyer, S, Swapna, G.V.T, Roth, J.M, Montelione, G.T.
Deposit date:2020-08-03
Release date:2021-03-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins.
Structure, 29, 2021
5KPE
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BU of 5kpe by Molmil
Solution NMR Structure of Denovo Beta Sheet Design Protein, Northeast Structural Genomics Consortium (NESG) Target OR664
Descriptor: De novo Beta Sheet Design Protein OR664
Authors:Tang, Y, Liu, G, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2016-07-03
Release date:2016-09-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
5KPH
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BU of 5kph by Molmil
Solution NMR Structure of Denovo Beta Sheet Design Protein, Northeast Structural Genomics Consortium (NESG) Target OR485
Descriptor: De novo Beta Sheet Design Protein OR485
Authors:Tang, Y, Liu, G, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2016-07-04
Release date:2016-09-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
7JYN
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BU of 7jyn by Molmil
Solution NMR structure of human Brd3 ET complexed with NSD3(148-184) peptide
Descriptor: Bromodomain-containing protein 3, Histone-lysine N-methyltransferase NSD3
Authors:Aiyer, S, Swapna, G.V.T, Roth, M.J, Montelione, G.T.
Deposit date:2020-08-31
Release date:2021-06-23
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins.
Structure, 29, 2021
7JYZ
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BU of 7jyz by Molmil
Solution NMR structure and dynamics of human Brd3 ET in complex with MLV IN CTD
Descriptor: Bromodomain-containing protein 3, Integrase
Authors:Aiyer, S, Liu, G, Swapna, G.V.T, Hao, J, Ma, L.C, Roth, M.J, Montelione, G.T.
Deposit date:2020-09-01
Release date:2021-06-23
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins.
Structure, 29, 2021
8CDC
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BU of 8cdc by Molmil
Native 3CLpro from SARS-CoV-2 at 1.54 A
Descriptor: 3C-like proteinase
Authors:Mazzei, L, Jovanovic, A, Acton, T.B, Ciurli, S, Montelione, G.T.
Deposit date:2023-01-30
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Expression, purification, and characterization of SARS-CoV2 3CLpro in a mature form
To Be Published
7DLD
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BU of 7dld by Molmil
Crystal structures of (S)-carbonyl reductases from Candida parapsilosis in different oligomerization states
Descriptor: Carbonyl Reductase, MAGNESIUM ION
Authors:Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
Deposit date:2020-11-27
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
7DLM
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BU of 7dlm by Molmil
Short chain dehydrogenase (SCR) crystal structure with NADPH
Descriptor: Carbonyl Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
Deposit date:2020-11-28
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
7DLL
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BU of 7dll by Molmil
Short chain dehydrogenase 2 (SCR2) crystal structure with NADPH
Descriptor: (S)-specific carbonyl reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
Deposit date:2020-11-28
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
7DMG
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BU of 7dmg by Molmil
Short chain dehydrogenase 2 (SCR2) crystal structure with NADP
Descriptor: (S)-specific carbonyl reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
Deposit date:2020-12-03
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
7DN1
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BU of 7dn1 by Molmil
Hetero-oligomers of SCR-SCR2 crystal structure with NADPH
Descriptor: (S)-specific carbonyl reductase, Carbonyl Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
Deposit date:2020-12-08
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
6UN9
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BU of 6un9 by Molmil
Crystal Structure of the Q7VLF5_HAEDU protein from Haemophilus ducreyi. Northeast Structural Genomics Consortium Target Hdr25
Descriptor: Uncharacterized protein
Authors:Vorobiev, S.M, Seetharaman, J, Kolev, M, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2019-10-11
Release date:2020-12-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Q7VLF5_HAEDU protein from Haemophilus ducreyi. Northeast Structural Genomics Consortium Target Hdr25
To Be Published
3C4S
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BU of 3c4s by Molmil
Crystal structure of the Ssl0352 protein from Synechocystis sp. Northeast Structural Genomics Consortium target SgR42
Descriptor: Ssl0352 protein
Authors:Vorobiev, S.M, Chen, Y, Seetharaman, J, Wang, D, Maglaqui, M, Janjua, H, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-01-30
Release date:2008-02-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the Ssl0352 protein from Synechocystis sp.
To be Published
3C3E
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BU of 3c3e by Molmil
Crystal structure of 2-phospho-(S)-lactate transferase from Methanosarcina mazei in complex with Fo and GDP. Northeast Structural Genomics Consortium target MaR46
Descriptor: 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol, 2-phospho-L-lactate transferase, GUANOSINE-5'-DIPHOSPHATE
Authors:Forouhar, F, Abashidze, M, Xu, H, Grochowski, L.L, Seetharaman, J, Hussain, M, Kuzin, A.P, Chen, Y, Zhou, W, Xiao, R, Acton, T.B, Montelione, G.T, Galinier, A, White, R.H, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-01-28
Release date:2008-02-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular insights into the biosynthesis of the f420 coenzyme.
J.Biol.Chem., 283, 2008

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数据于2024-06-12公开中

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