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4OHB
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BU of 4ohb by Molmil
Crystal structure of MilB E103A in complex with 5-hydroxymethylcytidine 5'-monophosphate (hmCMP) from Streptomyces rimofaciens
分子名称: 5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate), CMP/hydroxymethyl CMP hydrolase
著者Zhao, G, Zhang, Y, Liu, G, Wu, G, He, X.
登録日2014-01-17
公開日2014-06-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
3Q9N
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BU of 3q9n by Molmil
In silico and in vitro co-evolution of a high affinity complementary protein-protein interface
分子名称: CARBAMOYL SARCOSINE, COENZYME A, CoA binding protein, ...
著者Karanicolas, J, Corn, J.E, Chen, I, Joachimiak, L.A, Dym, O, Chung, S, Albeck, S, Unger, T, Hu, W, Liu, G, Delbecq, S, Montelione, G.T, Spiegel, C, Liu, D, Baker, D, Israel Structural Proteomics Center (ISPC)
登録日2011-01-09
公開日2011-04-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A de novo protein binding pair by computational design and directed evolution.
Mol.Cell, 42, 2011
3Q9U
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BU of 3q9u by Molmil
In silico and in vitro co-evolution of a high affinity complementary protein-protein interface
分子名称: COENZYME A, CoA binding protein, consensus ankyrin repeat
著者Karanicolas, J, Corn, J.E, Chen, I, Joachimiak, L.A, Dym, O, Chung, S, Albeck, S, Unger, T, Hu, W, Liu, G, Delbecq, S, Montelione, G.T, Spiegel, C, Liu, D, Baker, D, Israel Structural Proteomics Center (ISPC)
登録日2011-01-10
公開日2011-04-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A de novo protein binding pair by computational design and directed evolution.
Mol.Cell, 42, 2011
2JOZ
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BU of 2joz by Molmil
Solution NMR structure of protein yxeF, Northeast Structural Genomics Consortium target Sr500a
分子名称: Hypothetical protein yxeF
著者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)
登録日2007-04-10
公開日2007-05-15
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Solution NMR structure of protein yxeF , Northeast Structural Genomics Consortium target Sr500a
To be Published
2NOC
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BU of 2noc by Molmil
Solution Structure of Putative periplasmic protein: Northest Structural Genomics Target StR106
分子名称: Putative periplasmic protein
著者Zhang, Q, Liu, G, Wang, H, Nwosu, C, Cunningham, K, Ma, L.C, 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)
登録日2006-10-25
公開日2006-11-28
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution Structure of Putative periplasmic protein: Northest Structural Genomics Target StR106
To be Published
5SYQ
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BU of 5syq by Molmil
Solution structure of Aquifex aeolicus Aq1974
分子名称: Uncharacterized protein aq_1974
著者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)
登録日2016-08-11
公開日2016-09-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Aromatic claw: A new fold with high aromatic content that evades structural prediction.
Protein Sci., 26, 2017
7K3S
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BU of 7k3s by Molmil
Solution NMR Structure of the Coiled-coil BRCA1-PALB2 Heterodimer
分子名称: Breast cancer type 1 susceptibility protein homolog, Partner and localizer of BRCA2
著者Daigham, N.S, Liu, G, Bunting, S.F, Montelione, G.T.
登録日2020-09-13
公開日2021-09-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The Structural Basis for Interactions Between PALB2 and BRCA1 that Mediate the Homologous Recombination DNA Damage Repair Process
To Be Published
2NWT
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BU of 2nwt by Molmil
NMR Structure of Protein UPF0165 protein AF_2212 from Archaeoglobus Fulgidus; Northeast Structural Genomics Consortium Target GR83
分子名称: UPF0165 protein AF_2212
著者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)
登録日2006-11-16
公開日2007-01-30
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献NMR Structure of Protein Y2212_ARCFU from Archaeoglobus Fulgidus; Northeast Structural Genomics Consortium Target GR83
To be Published
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
分子名称: Bromodomain-containing protein 3, Integrase
著者Aiyer, S, Liu, G, Swapna, G.V.T, Hao, J, Ma, L.C, Roth, M.J, Montelione, G.T.
登録日2020-09-01
公開日2021-06-23
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins.
Structure, 29, 2021
1BFY
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BU of 1bfy by Molmil
SOLUTION STRUCTURE OF REDUCED CLOSTRIDIUM PASTEURIANUM RUBREDOXIN, NMR, 20 STRUCTURES
分子名称: FE (III) ION, RUBREDOXIN
著者Bertini, I, Kurtz Junior, D.M, Eidsness, M.K, Liu, G, Luchinat, C, Rosato, A, Scott, R.A.
登録日1998-05-23
公開日1999-05-25
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution Structure of Reduced Clostridium Pasteurianum Rubredoxin
J.Biol.Inorg.Chem., 3, 1998
6NS8
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BU of 6ns8 by Molmil
RDC-refined SOLUTION NMR STRUCTURE OF PROTEIN PF2048.1
分子名称: Uncharacterized protein
著者Daigham, N.S, Liu, G, Swapna, G.V.T, Cole, C, Valafar, H, Montelione, G.T.
登録日2019-01-24
公開日2020-01-29
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献REDCRAFT: A Computational Platform Using Residual Dipolar Coupling NMR Data for Determining Structures of Perdeuterated Proteins Without NOEs
To Be Published
1T0V
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BU of 1t0v by Molmil
NMR Solution Structure of the Engineered Lipocalin FluA(R95K) Northeast Structural Genomics Target OR17
分子名称: BILIN-BINDING PROTEIN
著者Mills, J.L, Liu, G, Skerra, A, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2004-04-13
公開日2005-06-14
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献NMR structure and dynamics of the engineered fluorescein-binding lipocalin FluA reveal rigidification of beta-barrel and variable loops upon enthalpy-driven ligand binding.
Biochemistry, 48, 2009
1NZ7
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BU of 1nz7 by Molmil
POTENT, SELECTIVE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B USING A SECOND PHOSPHOTYROSINE BINDING SITE, complexed with compound 19.
分子名称: 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
著者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.
登録日2003-02-16
公開日2003-05-20
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Potent, Selective Inhibitors of Protein Tyrosine Phosphatase 1B
BIOORG.MED.CHEM.LETT., 13, 2003
1NL9
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BU of 1nl9 by Molmil
Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 12 Using a Linked-Fragment Strategy
分子名称: 2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-NAPHTHALEN-1-YL]-OXALYL-AMINO}-BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1
著者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.
登録日2003-01-06
公開日2003-04-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Using a Linked-Fragment Strategy
J.Am.Chem.Soc., 125, 2003
1NWB
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BU of 1nwb by Molmil
Solution NMR Structure of Protein AQ_1857 from Aquifex aeolicus: Northeast Structural Genomics Consortium Target QR6.
分子名称: Hypothetical protein AQ_1857
著者Xu, D, Liu, G, Xiao, R, Acton, T, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2003-02-05
公開日2003-06-03
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR structure of the hypothetical protein AQ-1857 encoded by the Y157 gene from Aquifex aeolicus reveals a novel protein fold.
Proteins, 54, 2004
1NMI
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BU of 1nmi by Molmil
Solution structure of the imidazole complex of iso-1 cytochrome c
分子名称: Cytochrome c, iso-1, HEME C, ...
著者Yao, Y, Tong, Y, Liu, G, Wang, J, Zheng, J, Tang, W.
登録日2003-01-10
公開日2003-02-04
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Solution structure of the imidazole complex of iso-1 cytochrome c
To be Published
1NO6
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BU of 1no6 by Molmil
Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 5 Using a Linked-Fragment Strategy
分子名称: 2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1
著者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.
登録日2003-01-15
公開日2003-04-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Using a Linked-Fragment Strategy
J.Am.Chem.Soc., 125, 2003
1NNY
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BU of 1nny by Molmil
Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 23 Using a Linked-Fragment Strategy
分子名称: 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
著者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.
登録日2003-01-14
公開日2003-04-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Using a Linked-Fragment Strategy
J.Am.Chem.Soc., 125, 2003
1NR3
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BU of 1nr3 by Molmil
SOLUTION STRUCTURE OF THE PROTEIN MTH0916: THE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET TT212
分子名称: DNA-binding protein tfx
著者Shen, Y, Liu, G, Bhaskaran, R, Yee, A, Arrowsmith, C, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2003-01-23
公開日2003-06-10
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献SOLUTION STRUCTURE OF THE PROTEIN MTH0916: THE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET TT212
To be Published
1QXK
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BU of 1qxk by Molmil
Monoacid-Based, Cell Permeable, Selective Inhibitors of Protein Tyrosine Phosphatase 1B
分子名称: 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
著者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.
登録日2003-09-08
公開日2003-10-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of a Monoacid-Based, Cell Permeable, Selective Inhibitor of Protein Tyrosine Phosphatase 1B
BIOORG.MED.CHEM.LETT., 13, 2003
1QXF
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SOLUTION STRUCTURE OF 30S RIBOSOMAL PROTEIN S27E FROM ARCHAEOGLOBUS FULGIDUS: GR2, A NESG TARGET PROTEIN
分子名称: 30S RIBOSOMAL PROTEIN S27E
著者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)
登録日2003-09-05
公開日2003-09-16
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献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
7CCJ
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BU of 7ccj by Molmil
Sulfur binding domain of SprMcrA complexed with phosphorothioated DNA
分子名称: DNA (5'-D(*GP*GP*AP*TP*CP*AP*TP*C)-3'), HNHc domain-containing protein
著者Yu, H, Zhao, G, Gan, J, Liu, G, Wu, G, He, X.
登録日2020-06-17
公開日2020-07-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献DNA backbone interactions impact the sequence specificity of DNA sulfur-binding domains: revelations from structural analyses.
Nucleic Acids Res., 48, 2020
4AL0
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BU of 4al0 by Molmil
Crystal structure of Human PS-1
分子名称: GLUTATHIONE, PALMITIC ACID, PROSTAGLANDIN E SYNTHASE, ...
著者Sjogren, T, Nord, J, Ek, M, Johansson, P, Liu, G, Geschwindner, S.
登録日2012-02-29
公開日2013-02-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Crystal Structure of Microsomal Prostaglandin E2 Synthase Provides Insight Into Diversity in the Mapeg Superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
4AL1
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Crystal structure of Human PS-1 GSH-analog complex
分子名称: L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine, PALMITIC ACID, PROSTAGLANDIN E SYNTHASE, ...
著者Sjogren, T, Nord, J, Ek, M, Johansson, P, Liu, G, Geschwindner, S.
登録日2012-02-29
公開日2013-02-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of Microsomal Prostaglandin E2 Synthase Provides Insight Into Diversity in the Mapeg Superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
7CC9
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BU of 7cc9 by Molmil
Sulfur binding domain of SprMcrA complexed with phosphorothioated DNA
分子名称: 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'), ...
著者Yu, H, Zhao, G, Gan, J, Liu, G, Wu, G, He, X.
登録日2020-06-16
公開日2020-07-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.063 Å)
主引用文献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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