1QXK
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![BU of 1qxk by Molmil](/molmil-images/mine/1qxk) | Monoacid-Based, Cell Permeable, Selective Inhibitors of Protein Tyrosine Phosphatase 1B | Descriptor: | 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-3-HYDROXY-PHENYL)-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER, Protein-tyrosine phosphatase, non-receptor type 1 | Authors: | Xin, Z, Liu, G, Abad-Zapatero, C, Pei, Z, Szczepankiewick, B.G, Li, X, Zhang, T, Hutchins, C.W, Hajduk, P.J, Ballaron, S.J, Stashko, M.A, Lubben, T.H, Trevillyan, J.M, Jirousek, M.R. | Deposit date: | 2003-09-08 | Release date: | 2003-10-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of a Monoacid-Based, Cell Permeable, Selective
Inhibitor of Protein Tyrosine Phosphatase 1B BIOORG.MED.CHEM.LETT., 13, 2003
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2NWT
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![BU of 2nwt by Molmil](/molmil-images/mine/2nwt) | NMR Structure of Protein UPF0165 protein AF_2212 from Archaeoglobus Fulgidus; Northeast Structural Genomics Consortium Target GR83 | Descriptor: | UPF0165 protein AF_2212 | Authors: | Singarapu, K.K, Sukumaran, D.K, Parish, D, Atreya, H.S, Liu, G, Eletsky, A, Chen, C.X, Jiang, M, Cunningham, K, Xiao, R, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-11-16 | Release date: | 2007-01-30 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | NMR Structure of Protein Y2212_ARCFU from Archaeoglobus Fulgidus; Northeast Structural Genomics Consortium Target GR83 To be Published
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2JOZ
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![BU of 2joz by Molmil](/molmil-images/mine/2joz) | Solution NMR structure of protein yxeF, Northeast Structural Genomics Consortium target Sr500a | Descriptor: | Hypothetical protein yxeF | Authors: | Wu, Y, Liu, G, Zhang, Q, Bhatnagar, S, Chen, C, Nwosu, C, Xiao, R, Cunningham, K, Locke, J, Ma, L, Swapna, G, Baran, M, Acton, T, Montelione, G, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-04-10 | Release date: | 2007-05-15 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of protein yxeF , Northeast Structural Genomics Consortium target Sr500a To be Published
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7JYZ
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![BU of 7jyz by Molmil](/molmil-images/mine/7jyz) | 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
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5TTT
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![BU of 5ttt by Molmil](/molmil-images/mine/5ttt) | 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: | 2024-05-15 | 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
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7CC9
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![BU of 7cc9 by Molmil](/molmil-images/mine/7cc9) | Sulfur binding domain of SprMcrA complexed with phosphorothioated DNA | Descriptor: | ACETATE ION, DNA (5'-D(*GP*GP*CP*GP*GS*CP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*CP*CP*GP*CP*C)-3'), ... | Authors: | Yu, H, Zhao, G, Gan, J, Liu, G, Wu, G, He, X. | Deposit date: | 2020-06-16 | Release date: | 2020-07-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.063 Å) | Cite: | DNA backbone interactions impact the sequence specificity of DNA sulfur-binding domains: revelations from structural analyses. Nucleic Acids Res., 48, 2020
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7CCJ
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![BU of 7ccj by Molmil](/molmil-images/mine/7ccj) | Sulfur binding domain of SprMcrA complexed with phosphorothioated DNA | Descriptor: | DNA (5'-D(*GP*GP*AP*TP*CP*AP*TP*C)-3'), HNHc domain-containing protein | Authors: | Yu, H, Zhao, G, Gan, J, Liu, G, Wu, G, He, X. | Deposit date: | 2020-06-17 | Release date: | 2020-07-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | DNA backbone interactions impact the sequence specificity of DNA sulfur-binding domains: revelations from structural analyses. Nucleic Acids Res., 48, 2020
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7CCD
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![BU of 7ccd by Molmil](/molmil-images/mine/7ccd) | Sulfur binding domain of SprMcrA complexed with phosphorothioated DNA | Descriptor: | DNA (5'-D(*CP*AP*CP*GP*TP*TP*CP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*GP*AS*AP*CP*GP*TP*G)-3'), HNHc domain-containing protein | Authors: | Yu, H, Li, J, Liu, G, Zhao, G, Wang, Y, Hu, W, Deng, Z, Gan, J, Zhao, Y, He, X. | Deposit date: | 2020-06-16 | Release date: | 2020-07-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | DNA backbone interactions impact the sequence specificity of DNA sulfur-binding domains: revelations from structural analyses. Nucleic Acids Res., 48, 2020
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8IZ4
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![BU of 8iz4 by Molmil](/molmil-images/mine/8iz4) | 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
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2JNA
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![BU of 2jna by Molmil](/molmil-images/mine/2jna) | 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
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2K2B
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![BU of 2k2b by Molmil](/molmil-images/mine/2k2b) | |
2JZT
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![BU of 2jzt by Molmil](/molmil-images/mine/2jzt) | 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: | 2024-05-29 | 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
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2LNI
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![BU of 2lni by Molmil](/molmil-images/mine/2lni) | 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: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Northeast Structural Genomics Consortium Target HR4403E To be Published
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2M89
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![BU of 2m89 by Molmil](/molmil-images/mine/2m89) | 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: | 2024-05-01 | Method: | SOLUTION NMR, SOLUTION SCATTERING | Cite: | A hybrid NMR/SAXS-based approach for discriminating oligomeric protein interfaces using Rosetta. Proteins, 83, 2015
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7WBO
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![BU of 7wbo by Molmil](/molmil-images/mine/7wbo) | 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
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6JXM
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![BU of 6jxm by Molmil](/molmil-images/mine/6jxm) | 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
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6IG9
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![BU of 6ig9 by Molmil](/molmil-images/mine/6ig9) | |
3EVX
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![BU of 3evx by Molmil](/molmil-images/mine/3evx) | 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
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8JIY
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![BU of 8jiy by Molmil](/molmil-images/mine/8jiy) | 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
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7XM5
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![BU of 7xm5 by Molmil](/molmil-images/mine/7xm5) | 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
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7XM4
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![BU of 7xm4 by Molmil](/molmil-images/mine/7xm4) | 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
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7XM3
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![BU of 7xm3 by Molmil](/molmil-images/mine/7xm3) | 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
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7XM2
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![BU of 7xm2 by Molmil](/molmil-images/mine/7xm2) | 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
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5N9Y
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![BU of 5n9y by Molmil](/molmil-images/mine/5n9y) | The full-length structure of ZntB | Descriptor: | Zinc transport protein ZntB | Authors: | Cornelius, G, Stetsenko, A, Scheres, S.H.W, Slotboom, D.J, Guskov, A. | Deposit date: | 2017-02-27 | Release date: | 2017-11-15 | Last modified: | 2019-10-23 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | The structural basis of proton driven zinc transport by ZntB. Nat Commun, 8, 2017
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1TE7
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![BU of 1te7 by Molmil](/molmil-images/mine/1te7) | Solution NMR Structure of Protein yqfB from Escherichia coli. Northeast Structural Genomics Consortium Target ET99 | Descriptor: | Hypothetical UPF0267 protein yqfB | Authors: | Atreya, H.S, Shen, Y, Yee, A, Arrowsmith, C, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-05-24 | Release date: | 2005-01-04 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | G-Matrix Fourier Transform NOESY-Based Protocol for High-Quality Protein Structure Determination J.Am.Chem.Soc., 127, 2005
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