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7K3S
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BU of 7k3s by Molmil
Solution NMR Structure of the Coiled-coil BRCA1-PALB2 Heterodimer
Descriptor: Breast cancer type 1 susceptibility protein homolog, Partner and localizer of BRCA2
Authors:Daigham, N.S, Liu, G, Bunting, S.F, Montelione, G.T.
Deposit date:2020-09-13
Release date:2021-09-29
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The Structural Basis for Interactions Between PALB2 and BRCA1 that Mediate the Homologous Recombination DNA Damage Repair Process
To Be Published
2M89
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BU of 2m89 by Molmil
Solution structure of the Aha1 dimer from Colwellia psychrerythraea
Descriptor: Aha1 domain protein
Authors:Rossi, P, Sgourakis, N.G, Shi, L, Liu, G, Barbieri, C.M, Lee, H, Grant, T.D, Luft, J.R, Xiao, R, Acton, T.B, Montelione, G.T, Snell, E.H, Baker, D, Lange, O.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-05-09
Release date:2013-09-04
Last modified:2016-04-27
Method:SOLUTION NMR, SOLUTION SCATTERING
Cite:A hybrid NMR/SAXS-based approach for discriminating oligomeric protein interfaces using Rosetta.
Proteins, 83, 2015
8IZ4
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BU of 8iz4 by Molmil
Lysophosphatidylserine receptor GPR34-Gi complex
Descriptor: Antibody fragment scFv16, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Gong, W, Liu, G, Li, X, Zhang, X.
Deposit date:2023-04-06
Release date:2024-04-10
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structural mechanisms of ligand binding and signaling in lysophosphatidylserine receptors
To Be Published
5TTT
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BU of 5ttt by Molmil
Sparse-restraint solution NMR structure of micelle-solubilized cytosolic amino terminal domain of C. elegans mechanosensory ion channel MEC-4 refined by restrained Rosetta
Descriptor: Degenerin mec-4
Authors:Everett, J.K, Liu, G, Mao, B, Driscoll, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2016-11-04
Release date:2017-02-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Sparse-restraint solution NMR structure of micelle-solubilized cytosolic amino terminal domain of C. elegans mechanosensory ion channel MEC-4 refined by restrained Rosetta
To Be Published
2FKI
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BU of 2fki by Molmil
NMR Structure of Protein yjbR from Escherichia coli; Northeast Structural Genomics Consortium Target ER226
Descriptor: Protein yjbR
Authors:Singarapu, K.K, Liu, G, Xiao, R, Shetty, K.G, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-01-04
Release date:2006-02-28
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:NMR structure of protein yjbR from Escherichia coli reveals 'double-wing' DNA binding motif.
Proteins, 67, 2007
2FGX
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BU of 2fgx by Molmil
Solution NMR Structure of Protein Ne2328 from Nitrosomonas europaea. Northeast Structural Genomics Consortium Target NeT3.
Descriptor: putative thioredoxin
Authors:Eletsky, A, Liu, G, Yee, A, Arrowsmith, C.H, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2005-12-22
Release date:2006-02-21
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution NMR Structure of Nitrosomonas Europaea Hypothetical Protein Ne2328: Northeast Structural Genomics Consortium Target NeT3
To be Published
2GZP
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BU of 2gzp by Molmil
Solution NMR structure of Q8ZP25 from Salmonella typhimurium LT2; Northeast Structural Genomics Consortium Target STR70
Descriptor: putative chaperone
Authors:Parish, D, Liu, G, Shen, Y, Ho, C, Cunningham, K, Xiao, R, Swapna, G.V.T, Acton, T.B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-05-11
Release date:2006-06-27
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution NMR structure of Q8ZP24 from Salmonella typhimurium LT2.
To be Published
2GZO
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BU of 2gzo by Molmil
NMR structure of UPF0301 PROTEIN SO3346 from Shewanella oneidensis: Northeast Structural Genomics Consortium target SOR39
Descriptor: UPF0301 protein SO3346
Authors:Singarapu, K.K, Liu, G, Eletsky, A, Xu, D, Sukumaran, D.K, Mei, J, Xiao, R, Cunningham, K, Ma, L.C, Ritu, S, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-05-11
Release date:2006-06-20
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:NMR structure of UPF0301 PROTEIN SO3346 from Shewanella oneidensis: Northeast Structural Genomics Consortium target SOR39
To be Published
2H3J
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BU of 2h3j by Molmil
Solution NMR Structure of Protein PA4359 from Pseudomonas aeruginosa: Northeast Structural Genomics Consortium Target PaT89
Descriptor: Hypothetical protein PA4359
Authors:Zhang, Q, Liu, G, Yee, A, Arrowsmith, C, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-05-22
Release date:2006-06-20
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution Structure of Hypothetical protein PA4359: Northest Structural Genomics Target PaT89
To be Published
2HFV
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BU of 2hfv by Molmil
Solution NMR Structure of Protein RPA1041 from Pseudomonas aeruginosa. Northeast Structural Genomics Consortium Target PaT90.
Descriptor: Hypothetical Protein RPA1041
Authors:Eletsky, A, Atreya, H.S, Liu, G, Sukumaran, D, Garcia, M, Yee, A, Arrowsmith, C, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-06-26
Release date:2006-07-25
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution NMR Structure of Pseudomonas aeruginosa Hypothetical Protein RPA1041
TO BE PUBLISHED
2JNA
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BU of 2jna by Molmil
Solution NMR Structure of Salmonella typhimurium LT2 Secreted Protein STM0082: Northeast Structural Genomics Consortium Target StR109
Descriptor: Putative secreted protein
Authors:Eletsky, A, Parish, D, Liu, G, Sukumaran, D, Jiang, M, Cunningham, K, Ma, L, Xiao, R, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-12-31
Release date:2007-02-06
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Solution NMR Structure of Salmonella typhimurium LT2 Secreted Protein STM0082: Northeast Structural Genomics Consortium Target StR109
To be Published
2K2B
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BU of 2k2b by Molmil
Sparse-constraint solution NMR structure of micelle-solublized cytosolic amino terminal domain of C. elegans mechanosensory ion channel subunit MEC-4. New York Consortium on Membrane Protein Structure (NYCOMPS)
Descriptor: Degenerin mec-4
Authors:Everett, J.K, Liu, G, Driscoll, M.A, Montelione, G.T, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2008-03-31
Release date:2008-10-21
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Sparse-constraint solution NMR structure of micelle-solublized cytosolic amino terminal domain of C. elegans mechanosensory ion channel subunit MEC-4.
To be Published
2JZT
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BU of 2jzt by Molmil
Solution NMR structure of Q8ZP25_SALTY from Salmonella typhimurium. Northeast Structural Genomics Consortium target StR70
Descriptor: Putative thiol-disulfide isomerase and thioredoxin
Authors:Parish, D, Liu, G, Shen, Y, Ho, C, Cunningham, K, Xiao, R, Swapna, G.V.T, Acton, T, Bansal, S, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-01-16
Release date:2008-02-19
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Protein chaperones Q8ZP25_SALTY from Salmonella typhimurium and HYAE_ECOLI from Escherichia coli exhibit thioredoxin-like structures despite lack of canonical thioredoxin active site sequence motif.
J.STRUCT.FUNCT.GENOM., 9, 2008
2LNI
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BU of 2lni by Molmil
Solution NMR Structure of Stress-induced-phosphoprotein 1 STI1 from Homo sapiens, Northeast Structural Genomics Consortium Target HR4403E
Descriptor: Stress-induced-phosphoprotein 1
Authors:Tang, Y, Liu, G, Hamilton, K, Ciccosanti, C, Shastry, R, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-12-28
Release date:2012-03-14
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Northeast Structural Genomics Consortium Target HR4403E
To be Published
7WBO
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BU of 7wbo by Molmil
Crystal structure of Sarcoplasmic Calcium-Binding Protein from Scylla paramamosain
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, SODIUM ION, ...
Authors:Chen, Y, Jin, T, Liu, G.
Deposit date:2021-12-17
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure Analysis of Sarcoplasmic-Calcium-Binding Protein: An Allergen in Scylla paramamosain.
J.Agric.Food Chem., 71, 2023
6JXM
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BU of 6jxm by Molmil
Crystal Structure of phi29 pRNA domain II
Descriptor: BARIUM ION, MAGNESIUM ION, RNA (97-mer)
Authors:Cai, R, Price, I.R, Ding, F, Wu, F, Chen, T, Zhang, Y, Liu, G, Jardine, P.J, Lu, C, Ke, A.
Deposit date:2019-04-24
Release date:2019-08-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:ATP/ADP modulates gp16-pRNA conformational change in the Phi29 DNA packaging motor.
Nucleic Acids Res., 47, 2019
8JIY
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BU of 8jiy by Molmil
A carbohydrate binding domain of a putative chondroitinase
Descriptor: DUF4955 domain-containing protein
Authors:Liu, G.C, Chang, Y.G.
Deposit date:2023-05-29
Release date:2023-09-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Identification and structural characterization of a novel chondroitin sulfate-specific carbohydrate-binding module: The first member of a new family, CBM100.
Int.J.Biol.Macromol., 255, 2024
3EVX
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BU of 3evx by Molmil
Crystal structure of the human E2-like ubiquitin-fold modifier conjugating enzyme 1 (Ufc1). Northeast Structural Genomics Consortium target HR41
Descriptor: THIOCYANATE ION, Ufm1-conjugating enzyme 1
Authors:Forouhar, F, Abashidze, M, Seetharaman, J, Ho, C.K, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-10-13
Release date:2008-10-21
Last modified:2023-01-04
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:NMR and X-RAY structures of human E2-like ubiquitin-fold modifier conjugating enzyme 1 (UFC1) reveal structural and functional conservation in the metazoan UFM1-UBA5-UFC1 ubiquination pathway.
J.STRUCT.FUNCT.GENOM., 10, 2009
6IG9
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BU of 6ig9 by Molmil
Tra1 subunit from Saccharomyces cerevisiae SAGA complex
Descriptor: Transcription-associated protein 1
Authors:Zheng, X.D, Liu, G.C, Guan, H.P, Li, H.T.
Deposit date:2018-09-25
Release date:2019-05-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Architecture ofSaccharomyces cerevisiaeSAGA complex.
Cell Discov, 5, 2019
7XM5
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BU of 7xm5 by Molmil
Keap1 Kelch domain (residues 322-609) in complex with 6i
Descriptor: Kelch-like ECH-associated protein 1, N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-morpholin-4-yl-propanamide
Authors:Xu, K.
Deposit date:2022-04-24
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystallography-Guided Optimizations of the Keap1-Nrf2 Inhibitors on the Solvent Exposed Region: From Symmetric to Asymmetric Naphthalenesulfonamides.
J.Med.Chem., 65, 2022
7XM3
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BU of 7xm3 by Molmil
Crystal structure of Keap1 Kelch domain (residues 322-609) in complex with 6k
Descriptor: Kelch-like ECH-associated protein 1, N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-(4-ethylpiperazin-1-yl)propanamide
Authors:Xu, K.
Deposit date:2022-04-24
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystallography-Guided Optimizations of the Keap1-Nrf2 Inhibitors on the Solvent Exposed Region: From Symmetric to Asymmetric Naphthalenesulfonamides.
J.Med.Chem., 65, 2022
7XM4
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BU of 7xm4 by Molmil
Crystal structure of Keap1 Kelch domain (residues 322-609) in complex with 6e
Descriptor: Kelch-like ECH-associated protein 1, N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-2-(4-ethylpiperazin-1-yl)ethanamide
Authors:Xu, K.
Deposit date:2022-04-24
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystallography-Guided Optimizations of the Keap1-Nrf2 Inhibitors on the Solvent Exposed Region: From Symmetric to Asymmetric Naphthalenesulfonamides.
J.Med.Chem., 65, 2022
7XM2
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BU of 7xm2 by Molmil
Crystal structure of Keap1 Kelch domain (residues 322-609) in complex with NXPZ-2
Descriptor: 2-[(4-aminophenyl)sulfonyl-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]amino]ethanamide, Kelch-like ECH-associated protein 1
Authors:Xu, K.
Deposit date:2022-04-24
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallography-Guided Optimizations of the Keap1-Nrf2 Inhibitors on the Solvent Exposed Region: From Symmetric to Asymmetric Naphthalenesulfonamides.
J.Med.Chem., 65, 2022
3K5V
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BU of 3k5v by Molmil
Structure of Abl kinase in complex with imatinib and GNF-2
Descriptor: 3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, ...
Authors:Cowan-Jacob, S.W, Fendrich, G, Rummel, G, Strauss, A.
Deposit date:2009-10-08
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Targeting Bcr-Abl by combining allosteric with ATP-binding-site inhibitors.
Nature, 463, 2010
4YNE
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BU of 4yne by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
Descriptor: 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine, GLYCEROL, High affinity nerve growth factor receptor, ...
Authors:Kreusch, A, Rucker, P, Molteni, V, Loren, J.
Deposit date:2015-03-09
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.0229 Å)
Cite:(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015

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