2KA4
 
 | | NMR structure of the CBP-TAZ1/STAT2-TAD complex | | Descriptor: | Crebbp protein, Signal transducer and activator of transcription 2, ZINC ION | | Authors: | Wojciak, J.M, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E. | | Deposit date: | 2008-10-30 | | Release date: | 2009-04-21 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Structural basis for recruitment of CBP/p300 coactivators by STAT1 and STAT2 transactivation domains
Embo J., 28, 2009
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2KIB
 | | Protein Fibril | | Descriptor: | NFGAIL segment from human islet amyloid polypeptide | | Authors: | Nielsen, J.T, Bjerring, M, Jeppesen, M.D, Pedersen, R.O, Pedersen, J.M, Hein, K.L, Vosegaard, T, Skrydstrup, T, Otzen, D.E, Nielsen, N. | | Deposit date: | 2009-05-01 | | Release date: | 2009-09-08 | | Last modified: | 2024-05-01 | | Method: | SOLID-STATE NMR | | Cite: | Unique identification of supramolecular structures in amyloid fibrils by solid-state NMR spectroscopy.
Angew.Chem.Int.Ed.Engl., 48, 2009
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1L8Q
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2KIM
 | | 1.7-mm microcryoprobe solution NMR structure of an O6-methylguanine DNA methyltransferase family protein from Vibrio parahaemolyticus. Northeast Structural Genomics Consortium target VpR247. | | Descriptor: | O6-methylguanine-DNA methyltransferase | | Authors: | Aramini, J.M, Belote, R.L, Ciccosanti, C.T, Jiang, M, Rost, B, Nair, R, Swapna, G.V.T, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-05-07 | | Release date: | 2009-07-07 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of an O6-methylguanine DNA methyltransferase family protein from Vibrio parahaemolyticus. Northeast Structural Genomics Consortium target VpR247.
To be Published
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1G27
 | | CRYSTAL STRUCTURE OF E.COLI POLYPEPTIDE DEFORMYLASE COMPLEXED WITH THE INHIBITOR BB-3497 | | Descriptor: | 2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEXANOIC ACID (1-DIMETHYLCARBAMOYL-2,2-DIMETHYL-PROPYL)-AMIDE, NICKEL (II) ION, POLYPEPTIDE DEFORMYLASE | | Authors: | Clements, J.M, Beckett, P, Brown, A, Catlin, C, Lobell, M, Palan, S, Thomas, W, Whittaker, M, Baker, P.J, Rodgers, H.F, Barynin, V, Rice, D.W, Hunter, M.G. | | Deposit date: | 2000-10-17 | | Release date: | 2001-10-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Antibiotic activity and characterization of BB-3497, a novel peptide deformylase inhibitor.
Antimicrob.Agents Chemother., 45, 2001
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2K9D
 | | Solution structure of the domain X of measle phosphoprotein | | Descriptor: | Phosphoprotein | | Authors: | Gely, S, Bernard, C, Bourhis, J.M, Longhi, S, Darbon, H. | | Deposit date: | 2008-10-08 | | Release date: | 2009-10-20 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Interaction between the C-terminal domains of N and P proteins of measles virus investigated by NMR.
Febs Lett., 583, 2009
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2KA6
 | | NMR structure of the CBP-TAZ2/STAT1-TAD complex | | Descriptor: | CREB-binding protein, Signal transducer and activator of transcription 1-alpha/beta, ZINC ION | | Authors: | Wojciak, J.M, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E. | | Deposit date: | 2008-10-30 | | Release date: | 2009-04-07 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Structural basis for recruitment of CBP/p300 coactivators by STAT1 and STAT2 transactivation domains.
Embo J., 28, 2009
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5QDC
 | | Crystal structure of BACE complex with BMC019 hydrolyzed | | Descriptor: | (4S)-4-[(1R)-1,2-dihydroxyethyl]-N,N-dimethyl-2-oxo-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaene-19-carboxamide, Beta-secretase 1, GLYCEROL | | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-12-01 | | Release date: | 2020-06-03 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
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1LMJ
 | | NMR Study of the Fibrillin-1 cbEGF12-13 Pair of Ca2+ Binding Epidermal Growth Factor-like Domains | | Descriptor: | CALCIUM ION, fibrillin 1 | | Authors: | Smallridge, R.S, Whiteman, P, Werner, J.M, Campbell, I.D, Handford, P.A, Downing, A.K. | | Deposit date: | 2002-05-02 | | Release date: | 2003-04-29 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution Structure and Dynamics of a Calcium Binding Epidermal Growth
Factor-like Domain Pair from the Neonatal Region of Human Fibrillin-1.
J.Biol.Chem., 278, 2003
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5QD2
 | | Crystal structure of BACE complex with BMC017 | | Descriptor: | (4S)-4-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(methoxymethyl)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one, Beta-secretase 1 | | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-12-01 | | Release date: | 2020-06-03 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
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2KT1
 | | Solution NMR Structure of the SH3 Domain from the p85beta subunit of Phosphatidylinositol 3-kinase from H.sapiens, Northeast Structural Genomics Consortium Target HR5531E | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit beta | | Authors: | Aramini, J.M, Ma, L, Schauder, C, Everett, J.K, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-01-15 | | Release date: | 2010-01-26 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of the SH3 Domain from the p85beta subunit of Phosphatidylinositol 3-kinase from H.sapiens, Northeast Structural Genomics Consortium Target HR5531E
To be Published
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1FVT
 | | THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH AN OXINDOLE INHIBITOR | | Descriptor: | 4-[(2Z)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]benzene-1-sulfonamide, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Davis, S.T, Benson, B.G, Bramson, H.N, Chapman, D.E, Dickerson, S.H, Dold, K.M, Eberwein, D.J, Edelstein, M, Frye, S.V, Gampe Jr, R.T, Griffin, R.J, Harris, P.A, Hassell, A.M, Holmes, W.D, Hunter, R.N, Knick, V.B, Lackey, K, Lovejoy, B, Luzzio, M.J, Murray, D, Parker, P, Rocque, W.J, Shewchuk, L, Veal, J.M, Walker, D.H, Kuyper, L.K. | | Deposit date: | 2000-09-20 | | Release date: | 2001-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Prevention of chemotherapy-induced alopecia in rats by CDK inhibitors.
Science, 291, 2001
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1LRK
 | | Crystal Structure of Escherichia coli UDP-Galactose 4-Epimerase Mutant Y299C Complexed with UDP-N-acetylglucosamine | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, TRIETHYLENE GLYCOL, ... | | Authors: | Thoden, J.B, Henderson, J.M, Fridovich-Keil, J.L, Holden, H.M. | | Deposit date: | 2002-05-15 | | Release date: | 2002-07-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural analysis of the Y299C mutant of Escherichia coli UDP-galactose 4-epimerase. Teaching an old dog new tricks.
J.Biol.Chem., 277, 2002
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5QDA
 | | Crystal structure of BACE complex with BMC013 | | Descriptor: | (4S)-4-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-18-methoxy-3,15,17-triazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaen-2-one, Beta-secretase 1 | | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-12-01 | | Release date: | 2020-06-03 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
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1FYY
 | | HPRT GENE MUTATION HOTSPOT WITH A BPDE2(10R) ADDUCT | | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 5'-D(*TP*GP*CP*CP*CP*TP*TP*GP*AP*CP*TP*A)-3', HPRT DNA WITH BENZO[A]PYRENE-ADDUCTED DA7 | | Authors: | Volk, D.E, Rice, J.S, Luxon, B.A, Yeh, H.J.C, Liang, C, Xie, G, Sayer, J.M, Jerina, D.M, Gorenstein, D.G. | | Deposit date: | 2000-10-03 | | Release date: | 2000-12-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR evidence for syn-anti interconversion of a trans opened (10R)-dA adduct of benzo[a]pyrene (7S,8R)-diol (9R,10S)-epoxide in a DNA duplex.
Biochemistry, 39, 2000
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1LRJ
 | | Crystal Structure of E. coli UDP-Galactose 4-Epimerase Complexed with UDP-N-Acetylglucosamine | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, TRIETHYLENE GLYCOL, ... | | Authors: | Thoden, J.B, Henderson, J.M, Fridovich-Keil, J.L, Holden, H.M. | | Deposit date: | 2002-05-15 | | Release date: | 2002-07-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural analysis of the Y299C mutant of Escherichia coli UDP-galactose 4-epimerase. Teaching an old dog new tricks.
J.Biol.Chem., 277, 2002
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1LPH
 | | LYS(B28)PRO(B29)-HUMAN INSULIN | | Descriptor: | CHLORIDE ION, INSULIN, PHENOL, ... | | Authors: | Ciszak, E, Beals, J.M, Frank, B.H, Baker, J.C, Carter, N.D, Smith, G.D. | | Deposit date: | 1995-04-19 | | Release date: | 1996-06-20 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Role of C-terminal B-chain residues in insulin assembly: the structure of hexameric LysB28ProB29-human insulin.
Structure, 3, 1995
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1GY9
 | | Taurine/alpha-ketoglutarate Dioxygenase from Escherichia coli | | Descriptor: | 2-AMINOETHANESULFONIC ACID, 2-OXOGLUTARIC ACID, ALPHA-KETOGLUTARATE-DEPENDENT TAURINE DIOXYGENASE, ... | | Authors: | Elkins, J.M, Burzlaff, N.I, Ryle, M.J, Lloyd, J.S, Clifton, I.J, Baldwin, J.E, Hausinger, R.P, Roach, P.L. | | Deposit date: | 2002-04-22 | | Release date: | 2002-04-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | X-Ray Crystal Structure of Escherichia Coli Taurine/Alpha-Ketoglutarate Dioxygenase Complexed to Ferrous Iron and Substrates.
Biochemistry, 41, 2002
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5QDD
 | | Crystal structure of BACE complex with BMC020 hydrolyzed | | Descriptor: | (10R,12S)-12-[(1R)-1,2-dihydroxyethyl]-N,N,10-trimethyl-14-oxo-2-oxa-13-azabicyclo[13.3.1]nonadeca-1(19),15,17-triene-17-carboxamide, Beta-secretase 1, GLYCEROL | | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-12-01 | | Release date: | 2020-06-03 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
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5QCO
 | | Crystal structure of BACE complex with BMC016 | | Descriptor: | (4S)-19-acetyl-4-[(1R)-1-hydroxy-2-({1-[3-(propan-2-yl)phenyl]cyclopropyl}amino)ethyl]-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one, Beta-secretase 1 | | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-12-01 | | Release date: | 2020-06-03 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
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1H0K
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5QD3
 | | Crystal structure of BACE complex with BMC010 | | Descriptor: | (10R,12S)-12-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one, Beta-secretase 1 | | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-12-01 | | Release date: | 2020-06-03 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
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2KAE
 | | data-driven model of MED1:DNA complex | | Descriptor: | 5'-D(*DCP*DGP*DGP*DAP*DAP*DAP*DAP*DGP*DTP*DAP*DTP*DAP*DCP*DTP*DTP*DTP*DTP*DCP*DCP*DG)-3', GATA-type transcription factor, ZINC ION | | Authors: | Lowry, J.A, Gamsjaeger, R, Thong, S, Hung, W, Kwan, A.H, Broitman-Maduro, G, Matthews, J.M, Maduro, M, Mackay, J.P. | | Deposit date: | 2008-11-04 | | Release date: | 2009-01-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural Analysis of MED-1 Reveals Unexpected Diversity in the Mechanism of DNA Recognition by GATA-type Zinc Finger Domains.
J.Biol.Chem., 284, 2009
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1LWI
 | | 3-ALPHA-HYDROXYSTEROID/DIHYDRODIOL DEHYDROGENASE FROM RATTUS NORVEGICUS | | Descriptor: | 3-ALPHA-HYDROXYSTEROID/DIHYDRODIOL DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Bennett, M.J, Schlegel, B.P, Jez, J.M, Penning, T.M, Lewis, M. | | Deposit date: | 1996-02-24 | | Release date: | 1996-12-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of 3 alpha-hydroxysteroid/dihydrodiol dehydrogenase complexed with NADP+.
Biochemistry, 35, 1996
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1M18
 | | LIGAND BINDING ALTERS THE STRUCTURE AND DYNAMICS OF NUCLEOSOMAL DNA | | Descriptor: | Histone H2A.1, Histone H2B.1, Histone H3.2, ... | | Authors: | Suto, R.K, Edayathumangalam, R.S, White, C.L, Melander, C, Gottesfeld, J.M, Dervan, P.B, Luger, K. | | Deposit date: | 2002-06-18 | | Release date: | 2003-02-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal Structures of Nucleosome Core Particles in Complex with Minor Groove DNA-binding Ligands
J.Mol.Biol., 326, 2003
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