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2LCI
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BU of 2lci by Molmil
Solution NMR Structure of DE NOVO DESIGNED PROTEIN, P-LOOP NTPASE FOLD, Northeast Structural Genomics Consortium Target OR36 (CASD Target)
分子名称: Protein OR36
著者Liu, G, Koga, N, Koga, R, Xiao, R, Janjua, H, Ciccosanti, C, Lee, H, Acton, T.B, Everett, J, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2011-04-29
公開日2011-06-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Northeast Structural Genomics Consortium Target OR36
To be Published
4RZ7
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BU of 4rz7 by Molmil
Crystal Structure of PVX_084705 with bound PCI32765
分子名称: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, UNKNOWN ATOM OR ION, cGMP-dependent protein kinase, ...
著者Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, He, H, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Amani, M, Structural Genomics Consortium (SGC)
登録日2014-12-18
公開日2015-01-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.351 Å)
主引用文献Crystal Structure of PVX_084705 with bound PCI32765
To be Published
4NYX
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BU of 4nyx by Molmil
Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand
分子名称: (3R)-N-[3-(7-methoxy-3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide, CREB-binding protein
著者Filippakopoulos, P, Picaud, S, Felletar, I, Rooney, T.P.C, Fedorov, O, Martin, S, Monteiro, O.P, Conway, S.J, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-12-11
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand
TO BE PUBLISHED
4NYV
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BU of 4nyv by Molmil
Crystal Structure of the Bromodomain of human CREBBP in complex with a quinazolin-one ligand
分子名称: 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one, CREB-binding protein
著者Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, Martin, S, Monteiro, O.P, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-12-11
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal Structure of the Bromodomain of human CREBBP in complex with a quinazolin-one ligand
TO BE PUBLISHED
1YEZ
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BU of 1yez by Molmil
Solution structure of the conserved protein from the gene locus MM1357 of Methanosarcina mazei. Northeast Structural Genomics target MaR30.
分子名称: MM1357
著者Rossi, P, Aramini, J.M, Swapna, G.V.T, Huang, Y.P, Xiao, R, Ho, C.K, Ma, L.C, Acton, T.B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2004-12-29
公開日2005-02-22
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure of the conserved protein from the gene locus MM1357 of Methanosarcina mazei. Northeast Structural Genomics target MaR30.
To be Published
3ITK
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BU of 3itk by Molmil
Crystal structure of human UDP-glucose dehydrogenase Thr131Ala, apo form.
分子名称: 1,2-ETHANEDIOL, TETRAETHYLENE GLYCOL, UDP-glucose 6-dehydrogenase
著者Chaikuad, A, Egger, S, Yue, W.W, Sethi, R, Filippakopoulos, P, Muniz, J.R.C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Kavanagh, K.L, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2009-08-28
公開日2009-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure and mechanism of human UDP-glucose 6-dehydrogenase.
J.Biol.Chem., 286, 2011
3EMW
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BU of 3emw by Molmil
Crystal Structure of human splA/ryanodine receptor domain and SOCS box containing 2 (SPSB2) in complex with a 20-residue VASA peptide
分子名称: 1,2-ETHANEDIOL, Peptide (VASA), SPRY domain-containing SOCS box protein 2
著者Filippakopoulos, P, Sharpe, T, Keates, T, Murray, J.W, Savitsky, P, Roos, A.K, Pike, A.C.W, Von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC)
登録日2008-09-25
公開日2008-10-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for Par-4 recognition by the SPRY domain- and SOCS box-containing proteins SPSB1, SPSB2, and SPSB4.
J.Mol.Biol., 401, 2010
3ERE
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BU of 3ere by Molmil
Crystal structure of the arginine repressor protein from Mycobacterium tuberculosis in complex with the DNA operator
分子名称: 5'-D(*DTP*DTP*DGP*DCP*DAP*DTP*DAP*DAP*DCP*DGP*DAP*DTP*DGP*DCP*DAP*DA)-3', 5'-D(*DTP*DTP*DGP*DCP*DAP*DTP*DCP*DGP*DTP*DTP*DAP*DTP*DGP*DCP*DAP*DA)-3', Arginine repressor, ...
著者Cherney, L.T, Cherney, M.M, Garen, C.R, Lu, G.J, James, M.N, TB Structural Genomics Consortium (TBSGC)
登録日2008-10-01
公開日2008-10-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the arginine repressor protein in complex with the DNA operator from Mycobacterium tuberculosis.
J.Mol.Biol., 384, 2008
2LEK
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BU of 2lek by Molmil
Solution NMR structure of a Thiamine Biosynthesis (ThiS) Protein RPA3574 from Rhodopseudomonas palustris refined with NH RDCs. Northeast Structural Genomics Consortium target RpR325
分子名称: Putative thiamin biosynthesis ThiS
著者Ramelot, T.A, Cort, J.R, Lee, H, Wang, H, Ciccosanti, C, Jiang, M, Nair, R, Rost, B, Acton, T.B, Xiao, R, Swapna, G, Everett, J.K, Prestegard, J.H, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
登録日2011-06-16
公開日2011-06-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR structure of a Thiamine Biosynthesis (ThiS) Protein RPA3574 from Rhodopseudomonas palustris. Northeast Structural Genomics Consortium target RpR325
To be Published
2LSE
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BU of 2lse by Molmil
Solution NMR Structure of De Novo Designed Four Helix Bundle Protein, Northeast Structural Genomics Consortium (NESG) Target OR188
分子名称: Four Helix Bundle Protein
著者Sathyamoorthy, B, Pulavarti, S, Murphy, G, Mills, J.L, Eletski, A, Der, B.S, Machius, M.C, Kuhlman, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2012-04-28
公開日2012-06-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of a Denovo Design Four Helix Bundle Protein, Northeast Structural Genomics Consortium Target OR188
To be Published
2JZ6
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BU of 2jz6 by Molmil
Solution structure of 50S ribosomal protein L28 from Thermotoga maritima. Northeast Structural Genomics Consortium target VR97
分子名称: 50S ribosomal protein L28
著者Wu, Y, Singarapu, K.K, Guido, V, Yee, A, Sukumaran, D, Arrowsmith, C.H, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2007-12-28
公開日2008-01-29
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Solution structure of 50S ribosomal protein L28 from Thermotoga maritima. Northeast Structural Genomics Consortium target VR97.
To be Published
4MR4
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BU of 4mr4 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolinone ligand (RVX-208)
分子名称: 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4
著者Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-09-17
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
2JXX
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BU of 2jxx by Molmil
NMR solution structure of Ubiquitin-like domain of NFATC2IP. Northeast Structural Genomics Consortium target HR5627
分子名称: NFATC2-interacting protein
著者Doherty, R.S, Dhe-Paganon, S, Fares, C, Lemak, A, Butler, C, Srisailam, S, Karra, M, Yee, A, Edwards, A.M, Weigelt, J, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC)
登録日2007-11-30
公開日2007-12-11
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure of Ubiquitin-like domain of NFATC2IP.
TO BE PUBLISHED
2L06
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BU of 2l06 by Molmil
Solution NMR structure of the PBS linker polypeptide domain (fragment 254-400) of phycobilisome linker protein ApcE from Synechocystis sp. PCC 6803. Northeast Structural Genomics Consortium Target SgR209C
分子名称: Phycobilisome LCM core-membrane linker polypeptide
著者Ramelot, T.A, Yang, Y, Cort, J.R, Hamilton, K, Ciccosanti, C, Lee, D, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
登録日2010-06-30
公開日2010-08-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR structure of the PBS linker polypeptide domain of phycobilisome linker protein apcE from Synechocystis sp. Northeast Structural Genomics Consortium Target SgR209C
To be Published
1XN6
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BU of 1xn6 by Molmil
Solution Structure of Northeast Structural Genomics Target Protein BcR68 encoded in gene Q816V6 of B. cereus
分子名称: hypothetical protein BC4709
著者Liu, G, Acton, T, Parish, D, Ma, L, Xu, D, Xiao, R, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2004-10-04
公開日2004-12-14
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR data collection and analysis protocol for high-throughput protein structure determination.
Proc.Natl.Acad.Sci.Usa, 102, 2005
3LF0
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BU of 3lf0 by Molmil
Crystal structure of the ATP bound Mycobacterium tuberculosis nitrogen regulatory PII protein
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Nitrogen regulatory protein P-II
著者Shetty, N.D, Palaninathan, S.K, Reddy, M.C.M, Owen, J.L, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2010-01-15
公開日2010-07-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of the apo and ATP bound Mycobacterium tuberculosis nitrogen regulatory PII protein.
Protein Sci., 19, 2010
2LLL
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BU of 2lll by Molmil
Solution NMR structure of C-terminal globular domain of human Lamin-B2, Northeast Structural Genomics Consortium target HR8546A
分子名称: Lamin-B2
著者Lemak, A, Yee, A, Houliston, S, Garcia, M, Xu, C, Min, J, Montelione, G.T, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC), Chaperone-Enabled Studies of Epigenetic Regulation Enzymes (CEBS)
登録日2011-11-11
公開日2011-12-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR solution structure of c-terminal globular domain of human Lamin-B2
To be Published
3LAP
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BU of 3lap by Molmil
The Structure of the Intermediate Complex of the Arginine Repressor from Mycobacterium tuberculosis Bound to its DNA Operator and L-canavanine.
分子名称: 5'-D(*TP*TP*GP*CP*AP*TP*AP*AP*CP*GP*AP*TP*GP*CP*AP*A)-3', 5'-D(*TP*TP*GP*CP*AP*TP*CP*GP*TP*TP*AP*TP*GP*CP*AP*A)-3', Arginine repressor, ...
著者Cherney, L.T, Cherney, M.M, Garen, C.R, James, M.N.G, TB Structural Genomics Consortium (TBSGC)
登録日2010-01-06
公開日2010-05-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献crystal structure of the intermediate complex of the arginine repressor from Mycobacterium tuberculosis bound with its DNA operator reveals detailed mechanism of arginine repression.
J.Mol.Biol., 399, 2010
4NR6
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BU of 4nr6 by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with an oxazepin ligand
分子名称: 1-[7-(3,4-dimethoxyphenyl)-9-{[(3R)-1-methylpiperidin-3-yl]methoxy}-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one, CREB-binding protein
著者Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, Chaikuad, A, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-11-26
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Crystal structure of the bromodomain of human CREBBP in complex with an oxazepin ligand
To be Published
4NRB
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Crystal Structure of the bromodomain of human BAZ2B in complex with compound-1 N01197
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N-methyl-2-(tetrahydro-2H-pyran-4-yloxy)benzamide
著者Muniz, J.R.C, Felletar, I, Chaikuad, A, Filippakopoulos, P, Ferguson, F.M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ciulli, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-11-26
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56, 2013
2JOZ
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BU of 2joz by Molmil
Solution NMR structure of protein yxeF, Northeast Structural Genomics Consortium target Sr500a
分子名称: Hypothetical protein yxeF
著者Wu, Y, Liu, G, Zhang, Q, Bhatnagar, S, Chen, C, Nwosu, C, Xiao, R, Cunningham, K, Locke, J, Ma, L, Swapna, G, Baran, M, Acton, T, Montelione, G, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2007-04-10
公開日2007-05-15
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Solution NMR structure of protein yxeF , Northeast Structural Genomics Consortium target Sr500a
To be Published
4NQN
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BU of 4nqn by Molmil
Crystal Structure of the bromodomain of human BRD9 in complex with a triazolo-phthalazine ligand
分子名称: 2-chloro-N-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide, Bromodomain-containing protein 9
著者Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-11-25
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal Structure of the bromodomain of human BRD9 in complex with a triazolo-phthalazine ligand
To be Published
2L82
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BU of 2l82 by Molmil
Solution NMR Structure of de novo designed protein, P-loop NTPase fold, Northeast Structural Genomics Consortium Target OR32
分子名称: DESIGNED PROTEIN OR32
著者Liu, G, Koga, N, Koga, R, Xiao, R, Hamilton, K, Janjua, H, Tong, S, Acton, T.B, Everett, J, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2010-12-31
公開日2011-02-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Northeast Structural Genomics Consortium Target OR32
To be Published
2LNI
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BU of 2lni by Molmil
Solution NMR Structure of Stress-induced-phosphoprotein 1 STI1 from Homo sapiens, Northeast Structural Genomics Consortium Target HR4403E
分子名称: Stress-induced-phosphoprotein 1
著者Tang, Y, Liu, G, Hamilton, K, Ciccosanti, C, Shastry, R, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2011-12-28
公開日2012-03-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Northeast Structural Genomics Consortium Target HR4403E
To be Published
3U13
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Crystal Structure of de Novo design of cystein esterase ECH13 at the resolution 1.6A, Northeast Structural Genomics Consortium Target OR51
分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, PHOSPHATE ION, ...
著者Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Kohan, E, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2011-09-29
公開日2011-11-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
J.Am.Chem.Soc., 134, 2012

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