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4PQ8
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BU of 4pq8 by Molmil
Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR465
Descriptor: CHLORIDE ION, DESIGNED PROTEIN OR465
Authors:Vorobiev, S, Parmeggiani, F, Seetharaman, J, Janjua, H, Xiao, R, Maglaqui, M, Park, K, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J, Northeast Structural Genomics Consortium (NESG)
Deposit date:2014-02-28
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.833 Å)
Cite:Crystal Structure of Engineered Protein OR465.
To be Published
5FE6
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BU of 5fe6 by Molmil
Crystal structure of human PCAF bromodomain in complex with fragment ZB1916 (fragment 10)
Descriptor: (4-azanylpiperidin-1-yl)-cyclopropyl-methanone, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-12-16
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
3LML
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BU of 3lml by Molmil
Crystal Structure of the sheath tail protein Lin1278 from Listeria innocua, Northeast Structural Genomics Consortium Target LkR115
Descriptor: Lin1278 protein
Authors:Forouhar, F, Neely, H, Seetharaman, J, Mao, M, Xiao, R, Patel, D.J, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-01-31
Release date:2010-03-09
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Northeast Structural Genomics Consortium Target LkR115
To be Published
5FE0
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BU of 5fe0 by Molmil
Crystal structure of human PCAF bromodomain in complex with acetyllysine
Descriptor: Histone acetyltransferase KAT2B, N(6)-ACETYLLYSINE
Authors:Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-12-16
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
5FE7
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BU of 5fe7 by Molmil
Crystal structure of human PCAF bromodomain in complex with fragment ZB2216 (fragment 11)
Descriptor: 1,2-ETHANEDIOL, 1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5~{H}-indazol-4-one, DIMETHYL SULFOXIDE, ...
Authors:Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-12-16
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
2F20
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BU of 2f20 by Molmil
X-ray Crystal Structure of Protein BT_1218 from Bacteroides thetaiotaomicron. Northeast Structural Genomics Consortium Target BtR8.
Descriptor: conserved hypothetical protein, with conserved domain
Authors:Vorobiev, S.M, Abashidze, M, Seetharaman, J, Forouhar, F, Xiao, R, Ma, L.-C, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2005-11-15
Release date:2005-11-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the Q8A8E9_BACTIN hypothetical protein from Bacteroides thetaiotaomicron.
To be Published
2FKI
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BU of 2fki by Molmil
NMR Structure of Protein yjbR from Escherichia coli; Northeast Structural Genomics Consortium Target ER226
Descriptor: Protein yjbR
Authors:Singarapu, K.K, Liu, G, Xiao, R, Shetty, K.G, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-01-04
Release date:2006-02-28
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:NMR structure of protein yjbR from Escherichia coli reveals 'double-wing' DNA binding motif.
Proteins, 67, 2007
3CQV
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BU of 3cqv by Molmil
Crystal structure of Reverb beta in complex with heme
Descriptor: Nuclear receptor subfamily 1 group D member 2, PROTOPORPHYRIN IX CONTAINING FE
Authors:Xu, X, Dong, A, Pardee, K.I, Reinking, J, Krause, H, Schuetz, A, Zhang, R, Cui, H, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Savchenko, A, Botchkarev, A, Structural Genomics Consortium (SGC)
Deposit date:2008-04-03
Release date:2008-08-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structural basis of gas-responsive transcription by the human nuclear hormone receptor REV-ERBbeta.
Plos Biol., 7, 2009
1NFQ
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BU of 1nfq by Molmil
Rv2002 gene product from Mycobacterium tuberculosis
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Androsterone, Putative oxidoreductase Rv2002
Authors:Yang, J.K, Park, M.S, Waldo, G.S, Suh, S.W, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-12-15
Release date:2002-12-30
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Directed evolution approach to a structural genomics project: Rv2002 from Mycobacterium tuberculosis
Proc.Natl.Acad.Sci.USA, 100, 2003
3LMF
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BU of 3lmf by Molmil
Crystal Structure of Nmul_A1745 protein from Nitrosospira multiformis, Northeast Structural Genomics Consortium Target NmR72
Descriptor: Uncharacterized protein
Authors:Forouhar, F, Lew, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-01-29
Release date:2010-02-16
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Northeast Structural Genomics Consortium Target NmR72
To be Published
3LMM
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BU of 3lmm by Molmil
Crystal Structure of the DIP2311 protein from Corynebacterium diphtheriae, Northeast Structural Genomics Consortium Target CdR35
Descriptor: CHLORIDE ION, COBALT (II) ION, Uncharacterized protein
Authors:Forouhar, F, Lew, S, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Buchwald, W.A, Maglaqui, M, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-01-31
Release date:2010-02-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Northeast Structural Genomics Consortium Target CdR35
To be Published
1NFF
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BU of 1nff by Molmil
Crystal structure of Rv2002 gene product from Mycobacterium tuberculosis
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative oxidoreductase Rv2002
Authors:Yang, J.K, Park, M.S, Waldo, G.S, Suh, S.W, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-12-14
Release date:2002-12-30
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Directed evolution approach to a structural genomics project: Rv2002 from Mycobacterium tuberculosis
Proc.Natl.Acad.Sci.USA, 100, 2003
1NFR
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BU of 1nfr by Molmil
Rv2002 gene product from Mycobacterium tuberculosis
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative oxidoreductase Rv2002
Authors:Yang, J.K, Park, M.S, Waldo, G.S, Suh, S.W, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-12-16
Release date:2002-12-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Directed evolution approach to a structural genomics project: Rv2002 from Mycobacterium tuberculosis
Proc.Natl.Acad.Sci.USA, 100, 2003
3B7O
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BU of 3b7o by Molmil
Crystal structure of the human tyrosine phosphatase SHP2 (PTPN11) with an accessible active site
Descriptor: D-MALATE, Tyrosine-protein phosphatase non-receptor type 11
Authors:Ugochukwu, E, Barr, A, Patel, A, King, O, Niesen, F, Salah, E, Savitsky, P, Pilka, E.S, Elkins, J, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2007-10-31
Release date:2007-11-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
3D5N
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BU of 3d5n by Molmil
Crystal structure of the Q97W15_SULSO protein from Sulfolobus solfataricus. NESG target SsR125.
Descriptor: Q97W15_SULSO
Authors:Vorobiev, S.M, Chen, Y, Seetharaman, J, Lee, D, Foote, R.E, Maglaqui, M, Janjua, H, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-05-16
Release date:2008-07-15
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the Q97W15_SULSO protein from Sulfolobus solfataricus. NESG target SsR125.
To be Published
2GZP
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BU of 2gzp by Molmil
Solution NMR structure of Q8ZP25 from Salmonella typhimurium LT2; Northeast Structural Genomics Consortium Target STR70
Descriptor: putative chaperone
Authors:Parish, D, Liu, G, Shen, Y, Ho, C, Cunningham, K, Xiao, R, Swapna, G.V.T, Acton, T.B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-05-11
Release date:2006-06-27
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR structure of Q8ZP24 from Salmonella typhimurium LT2.
To be Published
9CUX
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BU of 9cux by Molmil
Crystal Structure of SETDB1 Tudor domain in complex with UNC100016
Descriptor: (2E)-N-(4-{[6-(dimethylamino)hexyl]amino}-2-{[5-(dimethylamino)pentyl]amino}quinazolin-6-yl)but-2-enamide, 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, ...
Authors:Silva, M, Dong, A, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-07-26
Release date:2024-10-02
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Crystal Structure of SETDB1 Tudor domain in complex with UNC100016
To be published
4KYZ
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BU of 4kyz by Molmil
Three-dimensional structure of triclinic form of de novo design insertion domain, Northeast Structural Genomics Consortium (NESG) Target OR327
Descriptor: Designed protein OR327
Authors:Kuzin, A, Su, M, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Gleixner, J, Baker, D, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-05-29
Release date:2013-07-24
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.492 Å)
Cite:Precise assembly of complex beta sheet topologies from de novo designed building blocks.
Elife, 4, 2015
3IGF
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BU of 3igf by Molmil
Crystal Structure of the All4481 protein from Nostoc sp. PCC 7120, Northeast Structural Genomics Consortium Target NsR300
Descriptor: All4481 protein
Authors:Forouhar, F, Abashidze, M, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Maglaqui, M, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-07-27
Release date:2009-08-04
Last modified:2023-05-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Northeast Structural Genomics Consortium Target NsR300
To be Published
1Q48
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BU of 1q48 by Molmil
Solution NMR Structure of The Haemophilus Influenzae Iron-Sulfur Cluster Assembly Protein U (IscU) with Zinc Bound at the Active Site. Northeast Structural Genomics Consortium Target IR24. This protein is not apo, it is a model without zinc binding constraints.
Descriptor: NifU-like protein
Authors:Ramelot, T.A, Cort, J.R, Xiao, R, Shastry, R, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2003-08-01
Release date:2003-11-18
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR structure of the iron-sulfur cluster assembly protein U (IscU) with zinc bound at the active site.
J.Mol.Biol., 344, 2004
4LT9
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BU of 4lt9 by Molmil
Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR404
Descriptor: Engineered Protein OR404
Authors:Vorobiev, S, Su, M, Bjelic, S, Kipnis, Y, Wang, L, Sahdev, S, Xiao, R, Kogan, S, Maglaqui, M, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-07-23
Release date:2013-08-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of Engineered Protein OR404.
To be Published
4EBN
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BU of 4ebn by Molmil
BlaC Amoxicillin Acyl-Intermediate Complex
Descriptor: 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, Beta-lactamase, PHOSPHATE ION
Authors:Mire, J.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-03-23
Release date:2013-04-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Faropenem is Effective Against Mycobacterium tuberculosis in vitro and in vivo
To be Published
5T4V
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BU of 5t4v by Molmil
Crystal structure of the bromodomain of human BRPF1 in complex with NI-48 ligand
Descriptor: 1,2-ETHANEDIOL, 4-cyano-N-(7-methoxy-1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)benzene-1-sulfonamide, FORMIC ACID, ...
Authors:Tallant, C, Igoe, N, Bayle, E.D, Nunez-Alonso, G, Newman, J.A, Mathea, S, Savitsky, P, Fedorov, O, Brennan, P.E, Muller, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fish, P, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-08-30
Release date:2017-02-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Design of a Biased Potent Small Molecule Inhibitor of the Bromodomain and PHD Finger-Containing (BRPF) Proteins Suitable for Cellular and in Vivo Studies.
J. Med. Chem., 60, 2017
3IHK
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BU of 3ihk by Molmil
Crystal Structure of thiamin pyrophosphokinase from S.mutans, Northeast Structural Genomics Consortium Target SmR83
Descriptor: MAGNESIUM ION, PHOSPHATE ION, THIAMINE DIPHOSPHATE, ...
Authors:Kuzin, A, Abashidze, M, Seetharaman, J, Vorobiev, S, Mao, M, Xiao, R, Ciccosanti, C, Maglaqui, M, Foote, E.L, Zhao, L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-07-30
Release date:2009-08-25
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Northeast Structural Genomics Consortium Target SmR83
To be published
3I7J
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BU of 3i7j by Molmil
Crystal Structure of a beta-lactamase (Mb2281c) from Mycobacterium bovis, Northeast Structural Genomics Consortium Target MbR246
Descriptor: beta-lactamase Mb2281c
Authors:Forouhar, F, Lew, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-07-08
Release date:2009-07-14
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Northeast Structural Genomics Consortium Target MbR246
To be Published

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