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
 | | 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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4OHR
 | | Crystal structure of MilB from Streptomyces rimofaciens | | Descriptor: | CMP/hydroxymethyl CMP hydrolase | | Authors: | Zhao, G, Zhang, Y, Liu, G, Wu, G, He, X. | | Deposit date: | 2014-01-17 | | Release date: | 2014-06-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of the N-glycosidase MilB in complex with hydroxymethyl CMP reveals its Arg23 specifically recognizes the substrate and controls its entry
Nucleic Acids Res., 42, 2014
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4OHB
 | | Crystal structure of MilB E103A in complex with 5-hydroxymethylcytidine 5'-monophosphate (hmCMP) from Streptomyces rimofaciens | | Descriptor: | 5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate), CMP/hydroxymethyl CMP hydrolase | | Authors: | Zhao, G, Zhang, Y, Liu, G, Wu, G, He, X. | | Deposit date: | 2014-01-17 | | Release date: | 2014-06-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the N-glycosidase MilB in complex with hydroxymethyl CMP reveals its Arg23 specifically recognizes the substrate and controls its entry
Nucleic Acids Res., 42, 2014
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1XBO
 | | PTP1B complexed with Isoxazole Carboxylic Acid | | Descriptor: | 5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | | Authors: | Zhao, H, Liu, G, Xin, Z, Serby, M, Pei, Z, Szczepankiewicz, B.G, Hajduk, P.J, Abad-Zapatero, C, Hutchins, C.W, Lubben, T.H, Ballaron, S.J, Hassach, D.L, Kaszubska, W, Rondinone, C.M, Trevillyan, J.M, Jirousek, M.R. | | Deposit date: | 2004-08-31 | | Release date: | 2004-10-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Isoxazole carboxylic acids as protein tyrosine phosphatase 1B (PTP1B) inhibitors.
Bioorg.Med.Chem.Lett., 14, 2004
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1XN7
 | | Solution Structure of E.Coli Protein yhgG: The Northeast Structural Genomics Consortium Target ET95 | | Descriptor: | Hypothetical protein yhgG | | Authors: | Shen, Y, Acton, T, Atreya, H.S, Ma, L, Liu, G, Xiao, R, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-10-04 | | Release date: | 2004-12-14 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of E.Coli Protein yhgG: The Northeast Structural Genomics Consortium Target ET95
To be Published
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1XPV
 | | Solution Structure of Northeast Structural Genomics Target Protein XcR50 from X. Campestris | | Descriptor: | hypothetical protein XCC2852 | | Authors: | Shao, Y, Acton, T.B, Liu, G, Ma, L, Shen, Y, Xiao, R, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-10-09 | | Release date: | 2004-12-14 | | Last modified: | 2018-01-31 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Northeast Structural Genomics Target Protein XcR50 from X. Campestris
To be Published
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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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5SYQ
 | | Solution structure of Aquifex aeolicus Aq1974 | | Descriptor: | Uncharacterized protein aq_1974 | | Authors: | Sachleben, J.R, Gawlak, G, Hoey, R.J, Liu, G, Joachimiak, A, Montelione, G.T, Koide, S, Northeast Structural Genomics Consortium (NESG), Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2016-08-11 | | Release date: | 2016-09-28 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Aromatic claw: A new fold with high aromatic content that evades structural prediction.
Protein Sci., 26, 2017
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4AL0
 | | Crystal structure of Human PS-1 | | Descriptor: | GLUTATHIONE, PALMITIC ACID, PROSTAGLANDIN E SYNTHASE, ... | | Authors: | Sjogren, T, Nord, J, Ek, M, Johansson, P, Liu, G, Geschwindner, S. | | Deposit date: | 2012-02-29 | | Release date: | 2013-02-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Crystal Structure of Microsomal Prostaglandin E2 Synthase Provides Insight Into Diversity in the Mapeg Superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4AL1
 | | Crystal structure of Human PS-1 GSH-analog complex | | Descriptor: | L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine, PALMITIC ACID, PROSTAGLANDIN E SYNTHASE, ... | | Authors: | Sjogren, T, Nord, J, Ek, M, Johansson, P, Liu, G, Geschwindner, S. | | Deposit date: | 2012-02-29 | | Release date: | 2013-02-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of Microsomal Prostaglandin E2 Synthase Provides Insight Into Diversity in the Mapeg Superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
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1NL9
 | | Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 12 Using a Linked-Fragment Strategy | | Descriptor: | 2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-NAPHTHALEN-1-YL]-OXALYL-AMINO}-BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | | Authors: | Szczepankiewicz, B.G, Liu, G, Hajduk, P.J, Abad-Zapatero, C, Pei, Z, Xin, Z, Lubben, T, Trevillyan, J.M, Stashko, M.A, Ballaron, S.J, Liang, H, Huang, F, Hutchins, C.W, Fesik, S.W, Jirousek, M.R. | | Deposit date: | 2003-01-06 | | Release date: | 2003-04-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of a Potent, Selective Protein Tyrosine
Phosphatase 1B Inhibitor Using a
Linked-Fragment Strategy
J.Am.Chem.Soc., 125, 2003
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6DCG
 | | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | | Descriptor: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | | Deposit date: | 2018-05-06 | | Release date: | 2018-08-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
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1NZ7
 | | POTENT, SELECTIVE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B USING A SECOND PHOSPHOTYROSINE BINDING SITE, complexed with compound 19. | | Descriptor: | 2-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-3-METHYLSULFANYL-PROPYLCARBAMOYL)-BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-PHENYL)-OXALYL-AM INO]-BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | | Authors: | Xin, Z, Oost, T.K, Abad-Zapatero, C, Hajduk, P.J, Pei, Z, Szczepankiewicz, B.G, Hutchins, C.W, Ballaron, S.J, Stashko, M.A, Lubben, T, Trevillyan, J.M, Jirousek, M.R, Liu, G. | | Deposit date: | 2003-02-16 | | Release date: | 2003-05-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Potent, Selective Inhibitors of Protein Tyrosine Phosphatase 1B
BIOORG.MED.CHEM.LETT., 13, 2003
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1NWB
 | | Solution NMR Structure of Protein AQ_1857 from Aquifex aeolicus: Northeast Structural Genomics Consortium Target QR6. | | Descriptor: | Hypothetical protein AQ_1857 | | Authors: | Xu, D, Liu, G, Xiao, R, Acton, T, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2003-02-05 | | Release date: | 2003-06-03 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the hypothetical protein AQ-1857 encoded by the Y157 gene from Aquifex aeolicus reveals a novel protein fold.
Proteins, 54, 2004
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6E4H
 | | Solution NMR Structure of the Colied-coil PALB2 Homodimer | | Descriptor: | Partner and localizer of BRCA2 | | Authors: | Song, F, Li, M, Liu, G, Swapna, G.V.T, Xia, B, Bunting, S.F, Montelione, G.T. | | Deposit date: | 2018-07-17 | | Release date: | 2018-10-17 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Antiparallel Coiled-Coil Interactions Mediate the Homodimerization of the DNA Damage-Repair Protein PALB2.
Biochemistry, 57, 2018
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1NO6
 | | Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 5 Using a Linked-Fragment Strategy | | Descriptor: | 2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | | Authors: | Szczepankiewicz, B.G, Liu, G, Hajduk, P.J, Abad-Zapatero, C, Pei, Z, Xin, Z, Lubben, T, Trevillyan, J.M, Stashko, M.A, Ballaron, S.J, Liang, H, Huang, F, Hutchins, C.W, Fesik, S.W, Jirousek, M.R. | | Deposit date: | 2003-01-15 | | Release date: | 2003-04-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor
Using a Linked-Fragment Strategy
J.Am.Chem.Soc., 125, 2003
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1NNY
 | | Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 23 Using a Linked-Fragment Strategy | | Descriptor: | 3-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | | Authors: | Szczepankiewicz, B.G, Liu, G, Hajduk, P.J, Abad-Zapatero, C, Pei, Z, Xin, Z, Lubben, T, Trevillyan, J.M, Stashko, M.A, Ballaron, S.J, Liang, H, Huang, F, Hutchins, C.W, Fesik, S.W, Jirousek, M.R. | | Deposit date: | 2003-01-14 | | Release date: | 2003-04-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor
Using a Linked-Fragment Strategy
J.Am.Chem.Soc., 125, 2003
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1NMI
 | | Solution structure of the imidazole complex of iso-1 cytochrome c | | Descriptor: | Cytochrome c, iso-1, HEME C, ... | | Authors: | Yao, Y, Tong, Y, Liu, G, Wang, J, Zheng, J, Tang, W. | | Deposit date: | 2003-01-10 | | Release date: | 2003-02-04 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the imidazole complex of iso-1 cytochrome c
To be Published
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1NR3
 | | SOLUTION STRUCTURE OF THE PROTEIN MTH0916: THE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET TT212 | | Descriptor: | DNA-binding protein tfx | | Authors: | Shen, Y, Liu, G, Bhaskaran, R, Yee, A, Arrowsmith, C, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2003-01-23 | | Release date: | 2003-06-10 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | SOLUTION STRUCTURE OF THE PROTEIN MTH0916: THE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET TT212
To be Published
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6E4J
 | | Solution NMR Structure of Protein PF2048.1 | | Descriptor: | Uncharacterized protein PF2048.1 | | Authors: | Daigham, N.S, Liu, G, Swapna, G.V.T, Cole, C, Valafar, H, Montelione, G.T. | | Deposit date: | 2018-07-17 | | Release date: | 2018-08-15 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | REDCRAFT: A Computational Platform Using Residual Dipolar Coupling NMR Data for Determining Structures of Perdeuterated Proteins Without NOEs
To Be Published
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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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1QXF
 | | SOLUTION STRUCTURE OF 30S RIBOSOMAL PROTEIN S27E FROM ARCHAEOGLOBUS FULGIDUS: GR2, A NESG TARGET PROTEIN | | Descriptor: | 30S RIBOSOMAL PROTEIN S27E | | Authors: | Herve Du Penhoat, C, Atreya, H.S, Shen, Y, Liu, G, Acton, T.B, Xiao, R, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2003-09-05 | | Release date: | 2003-09-16 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | The NMR solution structure of the 30S ribosomal protein S27e encoded in gene RS27_ARCFU of Archaeoglobus fulgidis reveals a novel protein fold
Protein Sci., 13, 2004
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2HFD
 | | NMR structure of protein Hydrogenase-1 operon protein hyaE from Escherichia coli: Northeast Structural Genomics Consortium Target ER415 | | Descriptor: | Hydrogenase-1 operon protein hyaE | | Authors: | Singarapu, K.K, Liu, G, Eletsky, A, Parish, D, Atreya, H.S, Xu, D, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-06-23 | | Release date: | 2006-08-22 | | Last modified: | 2018-01-31 | | 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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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: | 2023-06-14 | | 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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