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PDB: 198 results

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
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
1ONY
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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
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:2024-10-23
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
5HLH
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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
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:2024-05-15
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
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:2024-05-08
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
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:2024-05-29
Method:SOLUTION NMR
Cite:Solution NMR structure of hypothetical protein yppE: Northeast Structural Genomics Consortium Target SR213
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:2024-05-29
Method:SOLUTION NMR
Cite:Solution NMR structure of Phage-like element PBSX protein xkdW, Northeast Structural Genomics Consortium Target SR355
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:2024-05-29
Method:SOLUTION NMR
Cite:Solution NMR structure of UPF0107 protein AF_0055, Northeast Structural Genomics Consortium Target GR101 (CASP Target)
To be Published
1KTM
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BU of 1ktm by Molmil
SOLUTION STRUCTURE OF FAT DOMAIN OF FOCAL ADHESION KINASE
Descriptor: FOCAL ADHESION KINASE 1
Authors:Liu, G, Guibao, C, Zheng, J.
Deposit date:2002-01-16
Release date:2003-01-16
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural Insight into the Mechanisms of Targeting and Signaling of Focal Adhesion Kinase
Mol.Cell.Biol., 22, 2002
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:2024-05-22
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:2024-05-22
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
1PUZ
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BU of 1puz by Molmil
Solution NMR Structure of Protein NMA1147 from Neisseria meningitidis. Northeast Structural Genomics Consortium Target MR19
Descriptor: conserved hypothetical protein
Authors:Liu, G, Xu, D, Sukumaran, D.K, Chiang, Y, Acton, T, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2003-06-25
Release date:2004-06-29
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR structure of the hypothetical protein NMA1147 from Neisseria meningitidis reveals a distinct 5-helix bundle.
Proteins, 55, 2004
2K07
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BU of 2k07 by Molmil
Solution NMR structure of human E2-like ubiquitin-fold modifier conjugating enzyme 1 (UFC1). Northeast Structural Genomics Consortium target HR41
Descriptor: Ufm1-conjugating enzyme 1
Authors:Liu, G, Eletsky, A, Atreya, H.S, Aramini, J.M, Xiao, R, Acton, T, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-01-25
Release date:2008-02-19
Last modified:2024-05-29
Method:SOLUTION NMR
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
1S04
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BU of 1s04 by Molmil
Solution NMR Structure of Protein PF0455 from Pyrococcus furiosus. Northeast Structural Genomics Consortium Target PfR13
Descriptor: hypothetical protein PF0455
Authors:liu, G, Xiao, R, Sukumaran, D.K, Acton, T, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2003-12-29
Release date:2005-01-04
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution Structure Of The Hypothetical Protein PF0455 From Pyrococcus furiosus: Northeast Structural Genomics Consortium Target PfR13
To be Published
1PH0
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BU of 1ph0 by Molmil
Non-carboxylic Acid-Containing Inhibitor of PTP1B Targeting the Second Phosphotyrosine Site
Descriptor: 2-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-3-{4-[(2-CARBOXY-PHENYL)-OXALYL-AMINO]-PHENYL}-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZ OIC ACID METHYL ESTER, Protein-tyrosine phosphatase, non-receptor type 1
Authors:Liu, G, Xin, Z, Liang, H, Abad-Zapatero, C, Hajduk, P, Janowick, D, Szczepankiewicz, B, Pei, Z, Hutchins, C.W, Ballaron, S.J.
Deposit date:2003-05-29
Release date:2003-07-29
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Selective Protein Tyrosine Phosphatase 1B Inhibitors: Targeting the Second Phosphotyrosine Binding Site with Non-Carboxylic Acid-Containing Ligands.
J.Med.Chem., 46, 2003
2JWY
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BU of 2jwy by Molmil
Solution NMR structure of uncharacterized lipoprotein yajI from Escherichia coli. Northeast Structural Genomics target ER540
Descriptor: Uncharacterized lipoprotein yajI
Authors:Liu, G, Xiao, R, Chen, C, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-10-31
Release date:2007-11-20
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution NMR structure of uncharacterized lipoprotein yajI from Escherichia coli.
To be Published
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:2024-05-22
Method:SOLUTION NMR
Cite:NMR structure of Diacylglycerol kinase alpha, NESGC target HR532
To be Published
2KK0
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BU of 2kk0 by Molmil
Solution structure of dead ringer-like protein 1 (at-rich interactive domain-containing protein 3a) from homo sapiens, northeast structural genomics consortium (NESG) target hr4394c
Descriptor: AT-rich interactive domain-containing protein 3A
Authors:Liu, G, Wang, D, Nwosu, C, Owens, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-06-14
Release date:2009-07-14
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution NMR structure of the ARID domain of human AT-rich interactive domain-containing protein 3A: a human cancer protein interaction network target.
Proteins, 78, 2010
2KCY
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BU of 2kcy by Molmil
SOLUTION STRUCTURE OF RIBOSOMAL PROTEIN S8E FROM Methanothermobacter thermautotrophicus, NORTHEASTSTRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET TR71D
Descriptor: 30S ribosomal protein S8e
Authors:Liu, G, Rossi, P, Wang, D, Nwosu, C, Owens, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B.C, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-12-30
Release date:2009-01-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:SOLUTION STRUCTURE OF RIBOSOMAL PROTEIN S8E FROM Methanothermobacter thermautotrophicus, NORTHEASTSTRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET TR71D
To be Published
2KK1
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BU of 2kk1 by Molmil
Solution structure of C-terminal Domain of Tyrosine-protein kinase ABL2 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) target HR5537A
Descriptor: Tyrosine-protein kinase ABL2
Authors:Liu, G, Wang, D, Nwosu, C, Owens, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-06-14
Release date:2009-08-11
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:NMR structure of F-actin-binding domain of Arg/Abl2 from Homo sapiens.
Proteins, 78, 2010
6MSP
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BU of 6msp by Molmil
De novo Designed Protein Foldit3
Descriptor: De novo Designed Protein Foldit3
Authors:Liu, G, Ishida, Y, Swapna, G.V.T, Kleinfelter, S, Koepnick, B, Baker, D, Montelione, G.T.
Deposit date:2018-10-17
Release date:2019-06-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:De novo protein design by citizen scientists.
Nature, 570, 2019

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