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PDB: 174 results

8T7Q
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BU of 8t7q by Molmil
Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors
Descriptor: 1-{3-[(2-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-b]pyrazin-6-yl}-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Tang, Y, Nguyen, V, Wilbur, J.D.
Deposit date:2023-06-21
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
J.Med.Chem., 66, 2023
8T8Q
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BU of 8t8q by Molmil
Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors
Descriptor: 1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Tang, Y, Nguyen, V, Wilbur, J.D.
Deposit date:2023-06-23
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
J.Med.Chem., 66, 2023
8T6D
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BU of 8t6d by Molmil
Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors
Descriptor: (3R)-1'-[3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3H-spiro[[1]benzofuran-2,4'-piperidin]-3-amine, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Tang, Y, Nguyen, V, Wilbur, J.D.
Deposit date:2023-06-15
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
J.Med.Chem., 66, 2023
8T6G
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BU of 8t6g by Molmil
Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors
Descriptor: (1S)-1-{6-[(1S)-1-amino-1,3-dihydrospiro[indene-2,4'-piperidin]-1'-yl]-3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl}ethan-1-ol, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Tang, Y, Nugyen, V, Wilbur, J.D.
Deposit date:2023-06-15
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
J.Med.Chem., 66, 2023
2L15
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BU of 2l15 by Molmil
Solution Structure of Cold Shock Protein CspA Using Combined NMR and CS-Rosetta method
Descriptor: Cold shock protein CspA
Authors:Tang, Y, Schneider, W.M, Shen, Y, Raman, S, Inouye, M, Baker, D, Roth, M.J, Montelione, G.T.
Deposit date:2010-07-22
Release date:2010-09-15
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Fully automated high-quality NMR structure determination of small (2)H-enriched proteins.
J Struct Funct Genomics, 11, 2010
4YYG
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BU of 4yyg by Molmil
Crystal structure of BRD9 Bromodomain bound to a butyryllysine peptide
Descriptor: Bromodomain-containing protein 9, Histone H4
Authors:Tang, Y, Bellon, S, Cochran, A.G, Poy, F.
Deposit date:2015-03-23
Release date:2015-09-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Subset of Human Bromodomains Recognizes Butyryllysine and Crotonyllysine Histone Peptide Modifications.
Structure, 23, 2015
4YYJ
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BU of 4yyj by Molmil
Crystal structure of BRD9 Bromodomain bound to a butyryllysine peptide
Descriptor: Bromodomain-containing protein 9, Histone H4
Authors:Tang, Y, Bellon, S, Cochran, A.G, Poy, F.
Deposit date:2015-03-23
Release date:2015-09-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Subset of Human Bromodomains Recognizes Butyryllysine and Crotonyllysine Histone Peptide Modifications.
Structure, 23, 2015
2N46
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BU of 2n46 by Molmil
EC-NMR Structure of Human H-RasT35S mutant protein Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data
Descriptor: GTPase HRas
Authors:Tang, Y, Huang, Y.J, Hopf, T.A, Sander, C, Marks, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2015-06-17
Release date:2015-07-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Protein structure determination by combining sparse NMR data with evolutionary couplings.
Nat.Methods, 12, 2015
2N42
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BU of 2n42 by Molmil
EC-NMR Structure of Human H-RasT35S mutant protein Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data
Descriptor: GTPase HRas
Authors:Tang, Y, Huang, Y.J, Hopf, T.A, Sander, C, Marks, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2015-06-16
Release date:2015-07-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Protein structure determination by combining sparse NMR data with evolutionary couplings.
Nat.Methods, 12, 2015
2LZK
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BU of 2lzk by Molmil
NMR solution structure of an N2-guanine DNA adduct derived from the potent tumorigen dibenzo[a,l]pyrene: Intercalation from the minor groove with ruptured Watson-Crick base pairing
Descriptor: (11S,12S,13S)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol, DNA (5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3')
Authors:Tang, Y, Liu, Z, Ding, S, Lin, C.H, Cai, Y, Rodriguez, F.A, Sayer, J.M, Jerina, D.M, Amin, S, Broyde, S, Geacintov, N.E.
Deposit date:2012-10-04
Release date:2012-11-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Nuclear Magnetic Resonance Solution Structure of an N(2)-Guanine DNA Adduct Derived from the Potent Tumorigen Dibenzo[a,l]pyrene: Intercalation from the Minor Groove with Ruptured Watson-Crick Base Pairing.
Biochemistry, 51, 2012
2M80
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BU of 2m80 by Molmil
Solution structure of yeast dithiol glutaredoxin Grx8
Descriptor: Glutaredoxin-8
Authors:Tang, Y, Zhang, J, Yu, J, Wu, J, Zhou, C.Z, Shi, Y.
Deposit date:2013-05-02
Release date:2014-05-07
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure-guided activity enhancement and catalytic mechanism of yeast grx8
Biochemistry, 53, 2014
3R7N
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BU of 3r7n by Molmil
Caspase-2 bound with two copies of Ac-DVAD-CHO
Descriptor: Caspase-2 subunit p12, Caspase-2 subunit p18, Peptide Inhibitor (ACE)DVAD-CHO
Authors:Tang, Y, Wells, J, Arkin, M.
Deposit date:2011-03-22
Release date:2011-07-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis.
J.Biol.Chem., 286, 2011
3R6G
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BU of 3r6g by Molmil
Crystal structure of active caspase-2 bound with Ac-VDVAD-CHO
Descriptor: Caspase-2 subunit p12, Caspase-2 subunit p18, Peptide Inhibitor (ACE)VDVAD-CHO
Authors:Tang, Y, Wells, J, Arkin, M.
Deposit date:2011-03-21
Release date:2011-07-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis.
J.Biol.Chem., 286, 2011
3R7S
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BU of 3r7s by Molmil
Crystal Structure of Apo Caspase2
Descriptor: Caspase-2 subunit p12, Caspase-2 subunit p18
Authors:Tang, Y, Wells, J, Arkin, M.
Deposit date:2011-03-22
Release date:2011-07-27
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis.
J.Biol.Chem., 286, 2011
3QM0
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BU of 3qm0 by Molmil
Crystal structure of RTT109-AC-CoA complex
Descriptor: ACETYL COENZYME *A, Histone acetyltransferase RTT109, MERCURY (II) ION
Authors:Tang, Y, Marmorstein, R.
Deposit date:2011-02-03
Release date:2011-02-16
Last modified:2017-08-02
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Fungal Rtt109 histone acetyltransferase is an unexpected structural homolog of metazoan p300/CBP.
Nat.Struct.Mol.Biol., 15, 2008
3R5J
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BU of 3r5j by Molmil
Crystal structure of active caspase-2 bound with Ac-ADVAD-CHO
Descriptor: Caspase-2 subunit p12, Caspase-2 subunit p18, Peptide Inhibitor (ACE)ADVAD-CHO
Authors:Tang, Y, Wells, J, Arkin, M.
Deposit date:2011-03-18
Release date:2011-07-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis.
J.Biol.Chem., 286, 2011
3R6L
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BU of 3r6l by Molmil
Caspase-2 T380A bound with Ac-VDVAD-CHO
Descriptor: Caspase-2 subunit p12, Caspase-2 subunit p18, Peptide Inhibitor (ACE)VDVAD-CHO
Authors:Tang, Y, Wells, J, Arkin, M.
Deposit date:2011-03-21
Release date:2011-07-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis.
J.Biol.Chem., 286, 2011
3R7B
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BU of 3r7b by Molmil
Caspase-2 bound to one copy of Ac-DVAD-CHO
Descriptor: Caspase-2 subunit p12, Caspase-2 subunit p18, Peptide Inhibitor (ACE)DVAD-CHO
Authors:Tang, Y, Wells, J, Arkin, M.
Deposit date:2011-03-22
Release date:2011-07-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis.
J.Biol.Chem., 286, 2011
2JRM
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BU of 2jrm by Molmil
Solution NMR structure of ribosome modulation factor VP1593 from Vibrio parahaemolyticus. Northeast Structural Genomics target VpR55
Descriptor: Ribosome modulation factor
Authors:Tang, Y, Rossi, P, Swapna, G, Wang, H, Jiang, M, Cunningham, K, Owens, L, Ma, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-06-27
Release date:2007-07-17
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Solution NMR Structure of Ribosome Modulation Factor VP1593 from Vibrio parahaemolyticus.
To be Published
2JRO
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BU of 2jro by Molmil
Solution NMR Structure of SO0334 from Shewanella oneidensis. Northeast Structural Genomics Target SoR75
Descriptor: Uncharacterized protein
Authors:Tang, Y, Wang, D, Nwosu, C, Cunningham, K, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-06-28
Release date:2007-08-21
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution Structure of SO0334 from Shewanella oneidensis.
To be Published
2K49
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BU of 2k49 by Molmil
Solution NMR structure of UPF0339 protein SO3888 from Shewanella oneidensis. Northeast Structural Genomics Consortium target SoR190
Descriptor: UPF0339 protein SO_3888
Authors:Tang, Y, Wang, D, Nwosu, C, Maglaqui, M, 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:2008-05-31
Release date:2008-07-08
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution NMR structure of UPF0339 protein SO3888 from Shewanella oneidensis.
To be Published
2KK6
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BU of 2kk6 by Molmil
Solution structure of sh2 domain of proto-oncogene tyrosine-protein kinase fer from homo sapiens, northeast structural genomics consortium (nesg) target hr3461d
Descriptor: Proto-oncogene tyrosine-protein kinase FER
Authors:Tang, Y, 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:2009-06-15
Release date:2009-08-11
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of sh2 domain of proto-oncogene tyrosine-protein kinase fer from homo sapiens, northeast structural genomics consortium (nesg) target hr3461d
To be Published
2KPP
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BU of 2kpp by Molmil
Solution NMR structure of Lin0431 protein from Listeria innocua. Northeast Structural Genomics Consortium Target LkR112
Descriptor: Lin0431 protein
Authors:Tang, Y, Xiao, R, Ciccosanti, C, Janjua, H, Lee, D.Y, Everett, J.K, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-10-18
Release date:2010-02-23
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution NMR structure of Lin0431 protein from Listeria innocua reveals high structural similarity with domain II of bacterial transcription antitermination protein NusG.
Proteins, 78, 2010
2K5R
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BU of 2k5r by Molmil
Solution NMR Structure of XF2673 from Xylella fastidiosa. Northeast Structural Genomics Consortium Target XfR39
Descriptor: uncharacterized protein XF2673
Authors:Tang, Y, Wang, H, Jiang, M, Maglaqui, M, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-06-30
Release date:2008-08-26
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution NMR Structure of XF2673 from Xylella fastidiosa. Northeast Structural Genomics Consortium Target XfR39
To be Published
2KVT
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BU of 2kvt by Molmil
solution NMR structure of yaiA from Escherichia Eoli. Northeast Structural Genomics Target ER244
Descriptor: Uncharacterized protein yaiA
Authors:Tang, Y, Chen, X, Ciccosanti, C, Janjua, H, Xiao, R, Acton, T, Everett, J, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-03-28
Release date:2010-05-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:solution NMR structure of yaiA from Escherichia coli. Northeast Structural Genomics Target ER244
To be Published

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