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PDB: 187 results
6XEH
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BU of 6xeh by Molmil
Solution NMR Structure of DE NOVO DESIGNED Rossmann 2x3 Fold Protein r2x3_168, Northeast Structural Genomics Consortium (NESG) Target OR386
Descriptor: DE NOVO DESIGNED OR386
Authors:Liu, G, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2020-06-12
Release date:2020-08-05
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Role of backbone strain in de novo design of complex alpha/beta protein structures Accurate de novo design of asymetric alpha/beta proteins with ten or more secondary structure elements requires consideration of backbone strain Design principle proposed from designed larger alpha/beta-proteins not folded as designed: Consistency between local, non-local, and global structures
To Be Published
1Q1M
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BU of 1q1m by Molmil
A Highly Efficient Approach to a Selective and Cell Active PTP1B inhibitors
Descriptor: 5-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE-3-CARBOXYLIC ACID, Protein-tyrosine phosphatase, non-receptor type 1
Authors:Liu, G, Xin, Z, Pei, Z, Hajduk, P.J, Abad-Zapatero, C, Hutchins, C.W, Zhao, H, Lubben, T.H, Ballaron, S.J, Haasch, D.L, Kaszubska, W, Rondinone, C.M, Trevillyan, J.M, Jirousek, M.R.
Deposit date:2003-07-22
Release date:2003-09-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fragment screening and assembly: a highly efficient approach to a selective and cell active protein tyrosine phosphatase 1B inhibitor.
J.Med.Chem., 46, 2003
5HLH
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BU of 5hlh by Molmil
Crystal structure of the overoxidized AbfR bound to DNA
Descriptor: DNA (5'-D(*TP*AP*AP*CP*TP*CP*AP*AP*TP*CP*GP*CP*GP*CP*GP*CP*GP*AP*TP*TP*GP*AP*GP*T)-3'), MarR family transcriptional regulator
Authors:Liu, G, Liu, X, Gan, J, Yang, C.-G.
Deposit date:2016-01-15
Release date:2017-01-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Insights into the Redox-Sensing Mechanism of MarR-Type Regulator AbfR.
J. Am. Chem. Soc., 139, 2017
5HLG
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BU of 5hlg by Molmil
Structure of reduced AbfR bound to DNA
Descriptor: DNA (5'-D(*TP*AP*AP*CP*TP*CP*AP*AP*TP*CP*GP*CP*GP*CP*GP*CP*GP*AP*TP*TP*GP*AP*GP*T)-3'), MarR family transcriptional regulator
Authors:Liu, G, Liu, X, Gan, J, Yang, C.G.
Deposit date:2016-01-15
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Insights into the Redox-Sensing Mechanism of MarR-Type Regulator AbfR.
J. Am. Chem. Soc., 139, 2017
5HLI
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BU of 5hli by Molmil
Structure of Disulfide formed AbfR
Descriptor: CHLORIDE ION, COPPER (II) ION, MarR family transcriptional regulator
Authors:Liu, G, Liu, X, Gan, J, Yang, C.-G.
Deposit date:2016-01-15
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Insights into the Redox-Sensing Mechanism of MarR-Type Regulator AbfR.
J. Am. Chem. Soc., 139, 2017
1ONY
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BU of 1ony by Molmil
Oxalyl-Aryl-Amino Benzoic Acid inhibitors of PTP1B, compound 17
Descriptor: 2-{[2-(2-CARBAMOYL-VINYL)-4-(2-METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1
Authors:Liu, G, Szczepankiewicz, B.G, Pei, Z, Janowich, D.A, Xin, Z, Hadjuk, P.J, Abad-Zapatero, C, Liang, H, Hutchins, C.W, Fesik, S.W, Ballaron, S.J, Stashko, M.A, Lubben, T, Mika, A.K, Zinker, B.A, Trevillyan, J.M, Jirousek, M.R.
Deposit date:2003-03-02
Release date:2003-05-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery and Structure-Activity Relationship of Oxalylarylaminobenzoic Acids as Inhibitors of Protein Tyrosine Phosphatase 1B
J.Med.Chem., 46, 2003
1ONZ
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BU of 1onz by Molmil
Oxalyl-aryl-Amino Benzoic acid Inhibitors of PTP1B, compound 8b
Descriptor: 2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALYL-AMINO]-BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1
Authors:Liu, G, Szczepankiewicz, B.G, Pei, Z, Janowich, D.A, Xin, Z, Hadjuk, P.J, Abad-Zapatero, C, Liang, H, Hutchins, C.W, Fesik, S.W, Ballaron, S.J, Stashko, M.A, Lubben, T, Mika, A.K, Zinker, B.A, Trevillyan, J.M, Jirousek, M.R.
Deposit date:2003-03-02
Release date:2003-05-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery and Structure-Activity Relationship of Oxalylarylaminobenzoic Acids as Inhibitors of Protein Tyrosine Phosphatase 1B
J.Med.Chem., 46, 2003
5IYS
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BU of 5iys by Molmil
Crystal structure of a dehydrosqualene synthase in complex with ligand
Descriptor: MAGNESIUM ION, Phytoene synthase, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ...
Authors:Liu, G.Z, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2016-03-24
Release date:2017-03-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structure of a dehydrosqualene synthase in complex with ligand
to be published
8WAB
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BU of 8wab by Molmil
Crystal structure of a chondroitin sulfate-binding carbohydrate binding module of a chondroitinase
Descriptor: DNRLRE domain-containing protein
Authors:Liu, G.C, Chang, Y.G.
Deposit date:2023-09-07
Release date:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a carbohydrate binding module at 2.2 Angstroms resolution
To Be Published
2HG7
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BU of 2hg7 by Molmil
Solution NMR structure of Phage-like element PBSX protein xkdW, Northeast Structural Genomics Consortium Target SR355
Descriptor: Phage-like element PBSX protein xkdW
Authors:Liu, G, Parish, D, Xu, D, Atreya, H, Sukumaran, D, Ho, C.K, Jiang, M, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-06-26
Release date:2006-08-22
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution NMR structure of Phage-like element PBSX protein xkdW, Northeast Structural Genomics Consortium Target SR355
TO BE PUBLISHED
2HFI
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BU of 2hfi by Molmil
Solution NMR Structure of Protein yppE from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR213
Descriptor: Hypothetical protein yppE
Authors:Liu, G, Singarapu, K.K, Parish, D, Eletsky, A, Xu, D, Sukumaran, D, Ho, C.K, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-06-23
Release date:2006-07-25
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution NMR structure of hypothetical protein yppE: Northeast Structural Genomics Consortium Target SR213
TO BE PUBLISHED
2HI6
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BU of 2hi6 by Molmil
Solution NMR structure of UPF0107 protein AF_0055, Northeast Structural Genomics Consortium Target GR101
Descriptor: UPF0107 protein AF0055
Authors:Liu, G, Atreya, H, Xu, D, Sukumaran, D.K, Chen, C.X, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-06-29
Release date:2006-08-29
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution NMR structure of UPF0107 protein AF_0055, Northeast Structural Genomics Consortium Target GR101 (CASP Target)
To be Published
2KCL
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BU of 2kcl by Molmil
Solution NMR structure of tetratricopeptide repeat domain protein SrU_0103 from Salinibacter ruber, Northeast Structural Genomics Consortium (NESG) Target SrR115C
Descriptor: Tetratricopeptide repeat domain protein
Authors:Liu, G, Rossi, P, Wang, D, Nwosu, C, Owens, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-12-22
Release date:2009-01-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution NMR structure of tetratricopeptide repeat domain protein SrU_0103 from Salinibacter ruber, Northeast Structural Genomics Consortium (NESG) Target SrR115C
To be Published
1XN6
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BU of 1xn6 by Molmil
Solution Structure of Northeast Structural Genomics Target Protein BcR68 encoded in gene Q816V6 of B. cereus
Descriptor: hypothetical protein BC4709
Authors:Liu, G, Acton, T, Parish, D, Ma, L, Xu, D, 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:NMR data collection and analysis protocol for high-throughput protein structure determination.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1XNE
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BU of 1xne by Molmil
Solution Structure of Pyrococcus furiosus Protein PF0470: The Northeast Structural Genomics Consortium Target PfR14
Descriptor: hypothetical protein PF0469
Authors:Liu, G, Xiao, R, Parish, D, Ma, L, Sukumaran, D, Acton, T, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2004-10-04
Release date:2004-12-14
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:NMR data collection and analysis protocol for high-throughput protein structure determination.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1XN8
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BU of 1xn8 by Molmil
Solution Structure of Bacillus subtilis Protein yqbG: The Northeast Structural Genomics Consortium Target SR215
Descriptor: Hypothetical protein yqbG
Authors:Liu, G, Ma, L, Shen, Y, Acton, T, Atreya, H.S, Xiao, R, Joachimiak, A, 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:NMR data collection and analysis protocol for high-throughput protein structure determination.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1TUZ
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BU of 1tuz by Molmil
NMR Structure of the Diacylglycerol kinase alpha, NESGC target HR532
Descriptor: diacylglycerol kinase alpha
Authors:Liu, G, Shao, Y, Xiao, R, Acton, T, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2004-06-25
Release date:2005-01-04
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:NMR structure of Diacylglycerol kinase alpha, NESGC target HR532
To be Published
1XN5
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BU of 1xn5 by Molmil
Solution Structure of Bacillus halodurans Protein BH1534: The Northeast Structural Genomics Consortium Target BhR29
Descriptor: BH1534 unknown conserved protein
Authors:Liu, G, Ma, L, Shen, Y, Acton, T, Atreya, H.S, Xiao, R, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2004-10-04
Release date:2004-12-14
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution Structure of Bacillus halodurans Protein BH1534: The Northeast Structural Genomics Consortium Target BhR29
To be Published
1XN9
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BU of 1xn9 by Molmil
Solution Structure of Methanosarcina mazei Protein RPS24E: The Northeast Structural Genomics Consortium Target MaR11
Descriptor: 30S ribosomal protein S24e
Authors:Liu, G, Xiao, R, Parish, D, Ma, L, Sukumaran, D, Acton, T, 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 Methanosarcina mazei Protein RPS24E: The Northeast Structural Genomics Consortium Target MaR11
To be Published
1ZTS
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BU of 1zts by Molmil
Solution Structure of Bacillus Subtilis Protein YQBG: Northeast Structural Genomics Consortium Target SR215
Descriptor: Hypothetical protein yqbG
Authors:Liu, G, Shen, Y, Xiao, R, Acton, T, Ma, L, Joachimiak, A, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2005-05-27
Release date:2005-07-12
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:NMR structure of protein yqbG from Bacillus subtilis reveals a novel alpha-helical protein fold.
Proteins, 62, 2006
8H0L
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BU of 8h0l by Molmil
Sulfur binding domain of Hga complexed with phosphorothioated DNA
Descriptor: DNA (5'-D(*CP*GP*AP*GP*(PST)P*TP*CP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*GP*AP*AP*CP*TP*CP*G)-3'), MAGNESIUM ION, ...
Authors:Liu, G, He, X, Hu, W, Yang, B, Xiao, Q.
Deposit date:2022-09-29
Release date:2023-09-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Characterization of a promiscuous DNA sulfur binding domain and application in site-directed RNA base editing.
Nucleic Acids Res., 51, 2023
1YX0
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BU of 1yx0 by Molmil
Solution Structure of Bacillus subtilis Protein ysnE: The Northeast Structural Genomics Consortium Target SR220
Descriptor: hypothetical protein ysnE
Authors:Liu, G, Ma, L, Shen, Y, Xiao, R, Acton, T, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2005-02-18
Release date:2005-03-29
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Solution Structure of Bacillus subtilis Protein ysnE
To be Published
2B95
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BU of 2b95 by Molmil
Solution NMR structure of protein dynein light chain 2A, cytoplasmic; Northeast structural genomics consortium TARGET HR2106
Descriptor: Dynein light chain 2A
Authors:Liu, G, Atreya, H.S, Xiao, R, Acton, T, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2005-10-10
Release date:2005-11-01
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution NMR structure of protein dynein light chain 2A, cytoplasmic; Northeast structural genomics consortium TARGET HR2106
To be Published
1NI7
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BU of 1ni7 by Molmil
NORTHEAST STRUCTURAL GENOMIC CONSORTIUM TARGET ER75
Descriptor: Hypothetical protein ygdK
Authors:Liu, G, Chiang, Y, Acton, T, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2002-12-21
Release date:2003-06-03
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:High-quality homology models derived from NMR and X-ray structures of E. coli proteins YgdK and Suf E suggest that all members of the YgdK/Suf E protein family are enhancers of cysteine desulfurases.
Protein Sci., 14, 2005
5GAJ
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BU of 5gaj by Molmil
Solution NMR structure of De novo designed PLOOP2X3_50 fold protein, Northeast Structural Genomics Consortium (NESG) target OR258
Descriptor: DE NOVO DESIGNED PROTEIN OR258
Authors:Liu, G, Castelllanos, J, Koga, R, Koga, N, Xiao, R, Pederson, K, Janjua, H, Kohan, E, Acton, T.B, Kornhaber, G, Everett, J, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2015-12-01
Release date:2016-01-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution NMR structure De novo designed PLOOP2X3_50 fold protein, Northeast Structural Genomics Consortium (NESG) target OR258
To Be Published

218853

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