8T7Q
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![BU of 8t7q by Molmil](/molmil-images/mine/8t7q) | 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
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8T8Q
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![BU of 8t8q by Molmil](/molmil-images/mine/8t8q) | 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
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8T6D
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![BU of 8t6d by Molmil](/molmil-images/mine/8t6d) | 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
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8T6G
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![BU of 8t6g by Molmil](/molmil-images/mine/8t6g) | 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
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2L15
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![BU of 2l15 by Molmil](/molmil-images/mine/2l15) | 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
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4YYG
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![BU of 4yyg by Molmil](/molmil-images/mine/4yyg) | 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
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4YYJ
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![BU of 4yyj by Molmil](/molmil-images/mine/4yyj) | 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
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2N46
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![BU of 2n46 by Molmil](/molmil-images/mine/2n46) | 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
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2N42
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![BU of 2n42 by Molmil](/molmil-images/mine/2n42) | 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
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2LZK
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![BU of 2lzk by Molmil](/molmil-images/mine/2lzk) | 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
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2M80
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![BU of 2m80 by Molmil](/molmil-images/mine/2m80) | 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
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3R7N
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![BU of 3r7n by Molmil](/molmil-images/mine/3r7n) | 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
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3R6G
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![BU of 3r6g by Molmil](/molmil-images/mine/3r6g) | |
3R7S
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![BU of 3r7s by Molmil](/molmil-images/mine/3r7s) | 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
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3QM0
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![BU of 3qm0 by Molmil](/molmil-images/mine/3qm0) | 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
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3R5J
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![BU of 3r5j by Molmil](/molmil-images/mine/3r5j) | |
3R6L
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![BU of 3r6l by Molmil](/molmil-images/mine/3r6l) | 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
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3R7B
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![BU of 3r7b by Molmil](/molmil-images/mine/3r7b) | 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
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2JRM
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![BU of 2jrm by Molmil](/molmil-images/mine/2jrm) | 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
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2JRO
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![BU of 2jro by Molmil](/molmil-images/mine/2jro) | 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
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2K49
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![BU of 2k49 by Molmil](/molmil-images/mine/2k49) | 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
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2KK6
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![BU of 2kk6 by Molmil](/molmil-images/mine/2kk6) | 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
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2KPP
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![BU of 2kpp by Molmil](/molmil-images/mine/2kpp) | 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
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2K5R
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![BU of 2k5r by Molmil](/molmil-images/mine/2k5r) | 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
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2KVT
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![BU of 2kvt by Molmil](/molmil-images/mine/2kvt) | 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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