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2KA4
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BU of 2ka4 by Molmil
NMR structure of the CBP-TAZ1/STAT2-TAD complex
分子名称: Crebbp protein, Signal transducer and activator of transcription 2, ZINC ION
著者Wojciak, J.M, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E.
登録日2008-10-30
公開日2009-04-21
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Structural basis for recruitment of CBP/p300 coactivators by STAT1 and STAT2 transactivation domains
Embo J., 28, 2009
2KIB
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BU of 2kib by Molmil
Protein Fibril
分子名称: NFGAIL segment from human islet amyloid polypeptide
著者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.
登録日2009-05-01
公開日2009-09-08
最終更新日2024-05-01
実験手法SOLID-STATE NMR
主引用文献Unique identification of supramolecular structures in amyloid fibrils by solid-state NMR spectroscopy.
Angew.Chem.Int.Ed.Engl., 48, 2009
1L8Q
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BU of 1l8q by Molmil
CRYSTAL STRUCTURE OF DNA REPLICATION INITIATION FACTOR
分子名称: ADENOSINE-5'-DIPHOSPHATE, Chromosomal replication initiator protein dnaA, MAGNESIUM ION
著者Erzberger, J.P, Pirruccello, M.M, Berger, J.M.
登録日2002-03-21
公開日2002-09-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The structure of bacterial DnaA: implications for general mechanisms underlying DNA replication initiation
Embo J., 21, 2002
1G27
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BU of 1g27 by Molmil
CRYSTAL STRUCTURE OF E.COLI POLYPEPTIDE DEFORMYLASE COMPLEXED WITH THE INHIBITOR BB-3497
分子名称: 2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEXANOIC ACID (1-DIMETHYLCARBAMOYL-2,2-DIMETHYL-PROPYL)-AMIDE, NICKEL (II) ION, POLYPEPTIDE DEFORMYLASE
著者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.
登録日2000-10-17
公開日2001-10-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Antibiotic activity and characterization of BB-3497, a novel peptide deformylase inhibitor.
Antimicrob.Agents Chemother., 45, 2001
2KIM
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BU of 2kim by Molmil
1.7-mm microcryoprobe solution NMR structure of an O6-methylguanine DNA methyltransferase family protein from Vibrio parahaemolyticus. Northeast Structural Genomics Consortium target VpR247.
分子名称: O6-methylguanine-DNA methyltransferase
著者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)
登録日2009-05-07
公開日2009-07-07
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution NMR structure of an O6-methylguanine DNA methyltransferase family protein from Vibrio parahaemolyticus. Northeast Structural Genomics Consortium target VpR247.
To be Published
2K9D
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BU of 2k9d by Molmil
Solution structure of the domain X of measle phosphoprotein
分子名称: Phosphoprotein
著者Gely, S, Bernard, C, Bourhis, J.M, Longhi, S, Darbon, H.
登録日2008-10-08
公開日2009-10-20
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Interaction between the C-terminal domains of N and P proteins of measles virus investigated by NMR.
Febs Lett., 583, 2009
2KA6
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BU of 2ka6 by Molmil
NMR structure of the CBP-TAZ2/STAT1-TAD complex
分子名称: CREB-binding protein, Signal transducer and activator of transcription 1-alpha/beta, ZINC ION
著者Wojciak, J.M, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E.
登録日2008-10-30
公開日2009-04-07
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Structural basis for recruitment of CBP/p300 coactivators by STAT1 and STAT2 transactivation domains.
Embo J., 28, 2009
5QDC
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BU of 5qdc by Molmil
Crystal structure of BACE complex with BMC019 hydrolyzed
分子名称: (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
著者Rondeau, J.M, Shao, C, Yang, H, Burley, S.K.
登録日2017-12-01
公開日2020-06-03
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
1LMJ
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BU of 1lmj by Molmil
NMR Study of the Fibrillin-1 cbEGF12-13 Pair of Ca2+ Binding Epidermal Growth Factor-like Domains
分子名称: CALCIUM ION, fibrillin 1
著者Smallridge, R.S, Whiteman, P, Werner, J.M, Campbell, I.D, Handford, P.A, Downing, A.K.
登録日2002-05-02
公開日2003-04-29
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献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
5QD2
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BU of 5qd2 by Molmil
Crystal structure of BACE complex with BMC017
分子名称: (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
著者Rondeau, J.M, Shao, C, Yang, H, Burley, S.K.
登録日2017-12-01
公開日2020-06-03
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
2KT1
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BU of 2kt1 by Molmil
Solution NMR Structure of the SH3 Domain from the p85beta subunit of Phosphatidylinositol 3-kinase from H.sapiens, Northeast Structural Genomics Consortium Target HR5531E
分子名称: Phosphatidylinositol 3-kinase regulatory subunit beta
著者Aramini, J.M, Ma, L, Schauder, C, Everett, J.K, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2010-01-15
公開日2010-01-26
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献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
1FVT
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BU of 1fvt by Molmil
THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH AN OXINDOLE INHIBITOR
分子名称: 4-[(2Z)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]benzene-1-sulfonamide, CELL DIVISION PROTEIN KINASE 2
著者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.
登録日2000-09-20
公開日2001-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Prevention of chemotherapy-induced alopecia in rats by CDK inhibitors.
Science, 291, 2001
1LRK
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BU of 1lrk by Molmil
Crystal Structure of Escherichia coli UDP-Galactose 4-Epimerase Mutant Y299C Complexed with UDP-N-acetylglucosamine
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, TRIETHYLENE GLYCOL, ...
著者Thoden, J.B, Henderson, J.M, Fridovich-Keil, J.L, Holden, H.M.
登録日2002-05-15
公開日2002-07-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural analysis of the Y299C mutant of Escherichia coli UDP-galactose 4-epimerase. Teaching an old dog new tricks.
J.Biol.Chem., 277, 2002
5QDA
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BU of 5qda by Molmil
Crystal structure of BACE complex with BMC013
分子名称: (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
著者Rondeau, J.M, Shao, C, Yang, H, Burley, S.K.
登録日2017-12-01
公開日2020-06-03
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
1FYY
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BU of 1fyy by Molmil
HPRT GENE MUTATION HOTSPOT WITH A BPDE2(10R) ADDUCT
分子名称: 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
著者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.
登録日2000-10-03
公開日2000-12-06
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献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
1LRJ
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BU of 1lrj by Molmil
Crystal Structure of E. coli UDP-Galactose 4-Epimerase Complexed with UDP-N-Acetylglucosamine
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, TRIETHYLENE GLYCOL, ...
著者Thoden, J.B, Henderson, J.M, Fridovich-Keil, J.L, Holden, H.M.
登録日2002-05-15
公開日2002-07-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of the Y299C mutant of Escherichia coli UDP-galactose 4-epimerase. Teaching an old dog new tricks.
J.Biol.Chem., 277, 2002
1LPH
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BU of 1lph by Molmil
LYS(B28)PRO(B29)-HUMAN INSULIN
分子名称: CHLORIDE ION, INSULIN, PHENOL, ...
著者Ciszak, E, Beals, J.M, Frank, B.H, Baker, J.C, Carter, N.D, Smith, G.D.
登録日1995-04-19
公開日1996-06-20
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Role of C-terminal B-chain residues in insulin assembly: the structure of hexameric LysB28ProB29-human insulin.
Structure, 3, 1995
1GY9
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BU of 1gy9 by Molmil
Taurine/alpha-ketoglutarate Dioxygenase from Escherichia coli
分子名称: 2-AMINOETHANESULFONIC ACID, 2-OXOGLUTARIC ACID, ALPHA-KETOGLUTARATE-DEPENDENT TAURINE DIOXYGENASE, ...
著者Elkins, J.M, Burzlaff, N.I, Ryle, M.J, Lloyd, J.S, Clifton, I.J, Baldwin, J.E, Hausinger, R.P, Roach, P.L.
登録日2002-04-22
公開日2002-04-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-Ray Crystal Structure of Escherichia Coli Taurine/Alpha-Ketoglutarate Dioxygenase Complexed to Ferrous Iron and Substrates.
Biochemistry, 41, 2002
5QDD
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BU of 5qdd by Molmil
Crystal structure of BACE complex with BMC020 hydrolyzed
分子名称: (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
著者Rondeau, J.M, Shao, C, Yang, H, Burley, S.K.
登録日2017-12-01
公開日2020-06-03
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
5QCO
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BU of 5qco by Molmil
Crystal structure of BACE complex with BMC016
分子名称: (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
著者Rondeau, J.M, Shao, C, Yang, H, Burley, S.K.
登録日2017-12-01
公開日2020-06-03
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
1H0K
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BU of 1h0k by Molmil
Enoyl thioester reductase 2
分子名称: 2,4-DIENOYL-COA REDUCTASE, GLYCEROL, SULFATE ION
著者Airenne, T.T, Torkko, J.M, Hiltunen, J.K.
登録日2002-06-20
公開日2003-06-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Crystal Structure of Enoyl Thioester Reductase 2
To be Published
5QD3
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BU of 5qd3 by Molmil
Crystal structure of BACE complex with BMC010
分子名称: (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
著者Rondeau, J.M, Shao, C, Yang, H, Burley, S.K.
登録日2017-12-01
公開日2020-06-03
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
2KAE
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data-driven model of MED1:DNA complex
分子名称: 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
著者Lowry, J.A, Gamsjaeger, R, Thong, S, Hung, W, Kwan, A.H, Broitman-Maduro, G, Matthews, J.M, Maduro, M, Mackay, J.P.
登録日2008-11-04
公開日2009-01-06
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献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
1LWI
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3-ALPHA-HYDROXYSTEROID/DIHYDRODIOL DEHYDROGENASE FROM RATTUS NORVEGICUS
分子名称: 3-ALPHA-HYDROXYSTEROID/DIHYDRODIOL DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Bennett, M.J, Schlegel, B.P, Jez, J.M, Penning, T.M, Lewis, M.
登録日1996-02-24
公開日1996-12-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of 3 alpha-hydroxysteroid/dihydrodiol dehydrogenase complexed with NADP+.
Biochemistry, 35, 1996
1M18
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LIGAND BINDING ALTERS THE STRUCTURE AND DYNAMICS OF NUCLEOSOMAL DNA
分子名称: Histone H2A.1, Histone H2B.1, Histone H3.2, ...
著者Suto, R.K, Edayathumangalam, R.S, White, C.L, Melander, C, Gottesfeld, J.M, Dervan, P.B, Luger, K.
登録日2002-06-18
公開日2003-02-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structures of Nucleosome Core Particles in Complex with Minor Groove DNA-binding Ligands
J.Mol.Biol., 326, 2003

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