2GTB
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![BU of 2gtb by Molmil](/molmil-images/mine/2gtb) | Crystal structure of SARS coronavirus main peptidase (with an additional Ala at the N-terminus of each protomer) inhibited by an aza-peptide epoxide in the space group P43212 | Descriptor: | (5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE, 3C-like proteinase, ACETIC ACID | Authors: | Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C. | Deposit date: | 2006-04-27 | Release date: | 2006-12-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures Reveal an Induced-fit Binding of a Substrate-like Aza-peptide Epoxide to SARS Coronavirus Main Peptidase. J.Mol.Biol., 366, 2007
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4MWE
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![BU of 4mwe by Molmil](/molmil-images/mine/4mwe) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1475) | Descriptor: | 1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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2K5G
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![BU of 2k5g by Molmil](/molmil-images/mine/2k5g) | Solution NMR structure of protein encoded by gene BPP1335 from Bordetella parapertussis: Northeast Structural Genomics Target BpR195 | Descriptor: | uncharacterized protein | Authors: | Singarapu, K, Eletsky, A, Sathyamoorthy, B, Sukumaran, D, Wang, D, Jiang, M, Ciccosanti, C, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-06-27 | Release date: | 2008-09-02 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of protein encoded by gene BPP1335 from
Bordetella parapertussis: Northeast Structural Genomics Target BpR195 To be Published
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4MW6
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![BU of 4mw6 by Molmil](/molmil-images/mine/4mw6) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1476) | Descriptor: | 1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.558 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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2GT8
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![BU of 2gt8 by Molmil](/molmil-images/mine/2gt8) | Crystal structure of SARS coronavirus main peptidase (with an additional Ala at the N-terminus of each protomer) in the space group P43212 | Descriptor: | 3C-like proteinase | Authors: | Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C, Eltis, L.D, James, M.N.G. | Deposit date: | 2006-04-27 | Release date: | 2006-12-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures Reveal an Induced-fit Binding of a Substrate-like Aza-peptide Epoxide to SARS Coronavirus Main Peptidase. J.Mol.Biol., 366, 2007
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2HJJ
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![BU of 2hjj by Molmil](/molmil-images/mine/2hjj) | Solution NMR structure of protein ykfF from Escherichia coli. Northeast Structural Genomics target ER397. | Descriptor: | Hypothetical protein ykfF | Authors: | Swapna, G.V.T, Aramini, J.M, Zhao, L, Cunningham, K, Janjua, H, Ma, L.-C, Xiao, R, Baran, M.C, Acton, T.B, Liu, J, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-06-30 | Release date: | 2006-08-29 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of protein ykfF from Escherichia coli. Northeast Structural Genomics target ER397. To be Published
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2HRX
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![BU of 2hrx by Molmil](/molmil-images/mine/2hrx) | X-Ray Crystal Structure of Protein DIP2367 from Corynebacterium diphtheriae. Northeast Structural Genomics Consortium Target CdR13. | Descriptor: | Hypothetical protein | Authors: | Kuzin, A.P, Su, M, Jayaraman, S, Ho, C.K, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-07-20 | Release date: | 2006-08-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Three dimensional structure of conserved hypothetical protein from Corynebacterium diphtheriae at the resolution 1.9 A. Northeast Structural Genomics Consortium target CdR13. TO BE PUBLISHED
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2JRP
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![BU of 2jrp by Molmil](/molmil-images/mine/2jrp) | 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
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2JVM
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![BU of 2jvm by Molmil](/molmil-images/mine/2jvm) | Solution NMR structure of Rhodobacter sphaeroides protein RHOS4_26430. Northeast Structural Genomics Consortium target RhR95 | Descriptor: | Uncharacterized protein | Authors: | Eletsky, A, Sukumaran, D, Zhang, Q, Parish, D, Xu, D, Wang, H, Janjua, H, Owens, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-09-21 | Release date: | 2007-10-16 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of Rhodobacter sphaeroides protein RHOS4_26430. To be Published
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2L1X
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2MA4
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![BU of 2ma4 by Molmil](/molmil-images/mine/2ma4) | Solution NMR Structure of yahO protein from Salmonella typhimurium, Northeast Structural Genomics Consortium (NESG) Target StR106 | Descriptor: | Putative periplasmic protein | Authors: | Eletsky, A, Zhang, Q, Liu, G, Wang, H, Nwosu, C, Cunningham, K, Ma, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-06-27 | Release date: | 2013-08-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahO. Plos One, 9, 2014
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7FBJ
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![BU of 7fbj by Molmil](/molmil-images/mine/7fbj) | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing nanobody 17F6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, New antigen receptor variable domain, ... | Authors: | Zhu, J, Xu, T, Feng, B, Liu, J. | Deposit date: | 2021-07-11 | Release date: | 2022-07-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A Class of Shark-Derived Single-Domain Antibodies can Broadly Neutralize SARS-Related Coronaviruses and the Structural Basis of Neutralization and Omicron Escape. Small Methods, 6, 2022
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7FBK
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![BU of 7fbk by Molmil](/molmil-images/mine/7fbk) | Crystal structure of SARS-CoV-2 receptor binding domain N501Y mutant in complex with neutralizing nanobody 20G6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, New antigen receptor variable domain, Spike protein S1 | Authors: | Zhu, J, Xu, T, Feng, B, Liu, J. | Deposit date: | 2021-07-11 | Release date: | 2022-07-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Class of Shark-Derived Single-Domain Antibodies can Broadly Neutralize SARS-Related Coronaviruses and the Structural Basis of Neutralization and Omicron Escape. Small Methods, 6, 2022
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7WF6
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![BU of 7wf6 by Molmil](/molmil-images/mine/7wf6) | Crystal structure of SNX13 RGS domain | Descriptor: | CHLORIDE ION, Sorting nexin-13 | Authors: | Xu, J, Zhu, J, Liu, J. | Deposit date: | 2021-12-26 | Release date: | 2022-10-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structural Studies Reveal Unique Non-canonical Regulators of G Protein Signaling Homology (RH) Domains in Sorting Nexins. J.Mol.Biol., 434, 2022
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7X4B
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![BU of 7x4b by Molmil](/molmil-images/mine/7x4b) | Crystal Structure of An Anti-CRISPR Protein | Descriptor: | Anti-CRISPR protein (AcrIIC1), SULFATE ION | Authors: | Hu, J, Zhang, S, Gao, J.Y, Liu, X, Liu, J. | Deposit date: | 2022-03-02 | Release date: | 2022-10-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | A redox switch regulates the assembly and anti-CRISPR activity of AcrIIC1. Nat Commun, 13, 2022
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5XDZ
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![BU of 5xdz by Molmil](/molmil-images/mine/5xdz) | Crystal structure of zebrafish SNX25 PX domain | Descriptor: | CHLORIDE ION, Cellular trafficking protein, SODIUM ION | Authors: | Su, K, Zhang, Y, Xu, J, Liu, J. | Deposit date: | 2017-03-30 | Release date: | 2017-06-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the PX domain of SNX25 reveals a novel phospholipid recognition model by dimerization in the PX domain FEBS Lett., 591, 2017
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7WF9
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7WF8
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![BU of 7wf8 by Molmil](/molmil-images/mine/7wf8) | Crystal structure of mouse SNX25 RGS domain in space group P212121 | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Zhang, Y, Xu, J, Liu, J. | Deposit date: | 2021-12-26 | Release date: | 2022-10-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural Studies Reveal Unique Non-canonical Regulators of G Protein Signaling Homology (RH) Domains in Sorting Nexins. J.Mol.Biol., 434, 2022
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2HC5
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![BU of 2hc5 by Molmil](/molmil-images/mine/2hc5) | Solution NMR Structure of Protein yvyC from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR482. | Descriptor: | Hypothetical protein yvyC | Authors: | Eletsky, A, Liu, G, Atreya, H.S, Sukumaran, D.K, Wang, D, Cunningham, K, Janjua, H, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-06-15 | Release date: | 2006-08-15 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | NMR structure of protein YvyC from Bacillus subtilis reveals unexpected structural similarity between two PFAM families. Proteins, 76, 2009
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7WNH
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![BU of 7wnh by Molmil](/molmil-images/mine/7wnh) | Crystal structure of Nurr1 binding to NBRE | Descriptor: | DNA (5'-D(*CP*CP*GP*AP*AP*AP*AP*GP*GP*TP*CP*AP*TP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*AP*TP*GP*AP*CP*CP*TP*TP*TP*TP*CP*GP*G)-3'), Nuclear receptor subfamily 4 group A member 2, ... | Authors: | Zhao, M, Xu, T, Wang, N, Guo, Y, Liu, J. | Deposit date: | 2022-01-18 | Release date: | 2023-01-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Integrative analysis reveals structural basis for transcription activation of Nurr1 and Nurr1-RXR alpha heterodimer. Proc.Natl.Acad.Sci.USA, 119, 2022
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2ES7
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![BU of 2es7 by Molmil](/molmil-images/mine/2es7) | Crystal structure of Q8ZP25 from Salmonella typhimurium LT2. NESG TARGET STR70 | Descriptor: | putative thiol-disulfide isomerase and thioredoxin | Authors: | Benach, J, Su, M, Forouhar, F, Chen, Y, Ho, C.K, Janjua, H, Cunningham, K, Ma, L.-C, Rong, X, Liu, J, Baran, M, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-10-25 | Release date: | 2005-11-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of Q8ZP25 from Salmonella typhimurium LT2 NESG target STR70. To be Published
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5XE1
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![BU of 5xe1 by Molmil](/molmil-images/mine/5xe1) | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with INCB14943 | Descriptor: | 4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboxamidine, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Xu, J, Wu, U, Liu, J. | Deposit date: | 2017-03-31 | Release date: | 2017-05-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural insights into the binding mechanism of IDO1 with hydroxylamidine based inhibitor INCB14943 Biochem. Biophys. Res. Commun., 487, 2017
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5X9X
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5Y46
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5Y5E
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![BU of 5y5e by Molmil](/molmil-images/mine/5y5e) | Crystal structure of phospholipase A2 with inhibitor | Descriptor: | 2-[2-methyl-3-oxamoyl-1-[[2-(trifluoromethyl)phenyl]methyl]indol-4-yl]oxyethanoic acid, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Hou, S, Xu, J, Xu, T, Liu, J. | Deposit date: | 2017-08-08 | Release date: | 2018-06-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2group IIE Sci Rep, 7, 2017
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