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3JUS
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BU of 3jus by Molmil
Crystal structure of human lanosterol 14alpha-demethylase (CYP51) in complex with econazole
Descriptor: 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), ...
Authors:Strushkevich, N, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Usanov, S.A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-09-15
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of human CYP51 inhibition by antifungal azoles.
J. Mol. Biol., 397, 2010
3SM3
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BU of 3sm3 by Molmil
Crystal Structure of SAM-dependent methyltransferases Q8PUK2_METMA from Methanosarcina mazei. Northeast Structural Genomics Consortium Target MaR262.
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, SAM-dependent methyltransferases
Authors:Vorobiev, S, Neely, H, Seetharaman, J, Snyder, A, Patel, P, Xiao, R, Ciccosanti, C, 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:2011-06-27
Release date:2011-07-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:Crystal Structure of SAM-dependent methyltransferases Q8PUK2_METMA from Methanosarcina mazei.
To be Published, 2009
2NW7
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BU of 2nw7 by Molmil
Crystal Structure of Tryptophan 2,3-dioxygenase (TDO) from Xanthomonas campestris in complex with ferric heme. Northeast Structural Genomics Target XcR13
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase
Authors:Forouhar, F, Anderson, J.L.R, Mowat, C.G, Hussain, A, Bruckmann, C, Thackray, S.J, Seetharaman, J, Tucker, T, Ho, C.K, Ma, L.C, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Chapman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-11-14
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2JUW
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BU of 2juw by Molmil
NMR solution structure of homodimer protein SO_2176 from Shewanella oneidensis. Northeast Structural Genomics Consortium target SoR77
Descriptor: UPF0352 protein SO_2176
Authors:Ramelot, T.A, Cort, J.R, Wang, D, Nwosu, C, Owens, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-09-03
Release date:2007-09-18
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR solution structure of homodimer protein SO_2176 from Shewanella oneidensis. Northeast Structural Genomics Consortium target SoR77.
To be Published
2NWB
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BU of 2nwb by Molmil
Crystal Structure of a Putative 2,3-dioxygenase (SO4414) from Shewanella oneidensis in complex with ferric heme. Northeast Structural Genomics Target SoR52.
Descriptor: Conserved domain protein, PROTOPORPHYRIN IX CONTAINING FE
Authors:Forouhar, F, Anderson, J.L.R, Mowat, C.G, Hussain, A, Seetharaman, J, Bruckmann, C, Thackray, S.J, Khan, N, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Ma, L.C, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Champman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-11-14
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2K3D
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BU of 2k3d by Molmil
Solution NMR structure of the folded 79 residue fragment of Lin0334 from Listeria innocua. Northeast Structural Genomics Consortium target LkR15
Descriptor: Lin0334 protein
Authors:Ramelot, T.A, Zhao, L, Jiang, M, Foote, E.L, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-05-02
Release date:2008-05-13
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution NMR structure of the folded 79 residue fragment of Lin0334 from Listeria innocua. Northeast Structural Genomics Consortium target LkR15.
To be Published
4MEQ
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BU of 4meq by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 5-methyl-triazolopyrimidine ligand
Descriptor: 1,2-ETHANEDIOL, 5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, Vidler, L.R, Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hoelder, S, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-08-27
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
2KOB
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BU of 2kob by Molmil
Solution NMR structure of CLOLEP_01837 (fragment 61-160) from Clostridium leptum. Northeast Structural Genomics Consortium Target QlR8A
Descriptor: Uncharacterized protein
Authors:Ramelot, T.A, Lee, D, Ciccosanti, C, Jiang, M, Nair, R, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-09-15
Release date:2009-09-29
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution NMR structure of CLOLEP_01837 (fragment 61-160) from Clostridium leptum. Northeast Structural Genomics Consortium Target QlR8A
To be Published
4GMR
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BU of 4gmr by Molmil
Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR266.
Descriptor: NITRATE ION, OR266 DE NOVO PROTEIN
Authors:Vorobiev, S, Su, M, Parmeggiani, F, Seetharaman, J, Huang, P.-S, Mao, M, Xiao, R, Lee, D, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-08-16
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.377 Å)
Cite:Computational design of self-assembling cyclic protein homo-oligomers.
NAT.CHEM., 9, 2017
2AEG
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BU of 2aeg by Molmil
X-Ray Crystal Structure of Protein Atu5096 from Agrobacterium tumefaciens. Northeast Structural Genomics Consortium Target AtR63.
Descriptor: hypothetical protein AGR_pAT_140
Authors:Forouhar, F, Abashidze, M, Kuzin, A.P, Vorobiev, S.M, Shastry, R, Cooper, B, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2005-07-22
Release date:2005-08-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the Hypothetical Protein Atu5096 from Agrobacterium tumefaciens.
To be Published
2PJQ
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BU of 2pjq by Molmil
Crystal structure of Q88U62_LACPL from Lactobacillus plantarum. Northeast Structural Genomics target LpR71
Descriptor: Uncharacterized protein lp_2664
Authors:Benach, J, Su, M, Seetharaman, J, Forouhar, F, Chen, C.X, Cunningham, K, Ma, L.-C, Owens, L, Baran, M, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-04-16
Release date:2007-05-01
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of Q88U62_LACPL from Lactobacillus plantarum.
To be Published
3THP
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BU of 3thp by Molmil
Crystal structure and RNA binding properties of the RRM/AlkB domains in human ABH8, an enzyme catalyzing tRNA hypermodification, Northeast Structural Genomics Consortium Target HR5601B
Descriptor: 2-OXOGLUTARIC ACID, Alkylated DNA repair protein alkB homolog 8, MANGANESE (II) ION, ...
Authors:Pastore, C, Topalidou, I, Forouhar, F, Yan, A.C, Levy, M, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-08-19
Release date:2011-11-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure and RNA binding properties of the RNA recognition motif (RRM) and AlkB domains in human AlkB homolog 8 (ABH8), an enzyme catalyzing tRNA hypermodification.
J.Biol.Chem., 287, 2012
2PIH
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BU of 2pih by Molmil
Crystal structure of Protein ymcA from Bacillus subtilis, NorthEast Structural Genomics target SR375
Descriptor: Protein ymcA
Authors:Seetharaman, J, Abashidze, M, Forouhar, F, Wang, D, Fang, Y, Cunningham, K, Ma, L.-C, Xia, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-04-13
Release date:2007-05-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Protein ymcA from Bacillus subtilis.
To be Published
2PGX
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BU of 2pgx by Molmil
Crystal structure of UPF0341 protein yhiQ from E. coli, Northeast Structural Genomics Target ER585
Descriptor: UPF0341 protein yhiQ
Authors:Forouhar, F, Su, M, Seetharaman, J, Janjua, H, Fang, Y, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-04-10
Release date:2007-04-24
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of UPF0341 protein yhiQ from Escherichia coli.
To be Published
2HRX
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BU of 2hrx by Molmil
X-Ray Crystal Structure of Protein DIP2367 from Corynebacterium diphtheriae. Northeast Structural Genomics Consortium Target CdR13.
Descriptor: Hypothetical protein
Authors:Kuzin, A.P, Su, M, Jayaraman, S, Ho, C.K, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-07-20
Release date:2006-08-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Three dimensional structure of conserved hypothetical protein from Corynebacterium diphtheriae at the resolution 1.9 A. Northeast Structural Genomics Consortium target CdR13.
TO BE PUBLISHED
3K26
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BU of 3k26 by Molmil
Complex structure of EED and trimethylated H3K4
Descriptor: HISTONE PEPTIDE, Polycomb protein EED
Authors:Bian, C.B, Xu, C, Qiu, W, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2009-09-29
Release date:2009-12-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Binding of different histone marks differentially regulates the activity and specificity of polycomb repressive complex 2 (PRC2).
Proc.Natl.Acad.Sci.USA, 107, 2010
3DL2
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BU of 3dl2 by Molmil
Hexagonal structure of the LDH domain of Human Ubiquitin-conjugating Enzyme E2-like Isoform A
Descriptor: PHOSPHATE ION, SODIUM ION, Ubiquitin-conjugating enzyme E2 variant 3
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Finerty Jr, P.J, Butler-Cole, C, Bountra, C, Wolkstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2008-06-26
Release date:2008-07-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Investigation Into the L-Lactate Dehydrogenase Domain of Human Ubiquitin-Conjugating Enzyme E2-Like Isoform A.
To be Published
2HZB
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BU of 2hzb by Molmil
X-Ray Crystal Structure of Protein BH3568 from Bacillus halodurans. Northeast Structural Genomics Consortium BhR60.
Descriptor: Hypothetical UPF0052 protein BH3568
Authors:Kuzin, A.P, Chen, Y, Seetharaman, J, Benach, J, Shastry, R, Conover, K, Ma, L.C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-08-08
Release date:2006-08-22
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-Ray structure of the hypothetical UPF0052 protein BH3568 from Bacillus halodurans. Northeast Structural Genomics Consortium BhR60.
To be Published
1YWW
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BU of 1yww by Molmil
NMR structure of P. aeruginosa protein PA4738: Northeast Structural Genomics Consortium target PaP2
Descriptor: Hypothetical protein PA4738
Authors:Cort, J.R, Ni, S, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2005-02-18
Release date:2005-03-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR structure of Pseudomonas aeruginosa protein PA4738
To be Published
3U26
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BU of 3u26 by Molmil
Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR48
Descriptor: PF00702 domain protein
Authors:Seetharaman, J, Lew, S, Nivon, L, Baker, D, Bjelic, S, Ciccosanti, C, Sahdev, S, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-09-30
Release date:2011-11-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Computational design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction.
Acs Chem.Biol., 8, 2013
2PSB
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BU of 2psb by Molmil
Crystal structure of YerB protein from Bacillus subtilis. NorthEast Structural Genomics target SR586
Descriptor: YerB protein
Authors:Seetharaman, J, Chen, Y, Forouhar, F, Wang, D, Fang, Y, Cunningham, K, Ma, L.-C, Xia, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-05-04
Release date:2007-05-15
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of YerB protein from Bacillus subtilis.
To be Published
4MEN
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BU of 4men by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 5-methyl-triazolopyrimidine ligand
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N,5-dimethyl-N-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, Vidler, L.R, Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hoelder, S, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-08-27
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
2HI6
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BU of 2hi6 by Molmil
Solution NMR structure of UPF0107 protein AF_0055, Northeast Structural Genomics Consortium Target GR101
Descriptor: UPF0107 protein AF0055
Authors:Liu, G, Atreya, H, Xu, D, Sukumaran, D.K, Chen, C.X, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-06-29
Release date:2006-08-29
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution NMR structure of UPF0107 protein AF_0055, Northeast Structural Genomics Consortium Target GR101 (CASP Target)
To be Published
2NW8
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BU of 2nw8 by Molmil
Crystal Structure of Tryptophan 2,3-dioxygenase (TDO) from Xanthomonas campestris in complex with ferrous heme and tryptophan. Northeast Structural Genomics Target XcR13.
Descriptor: MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE, TRYPTOPHAN, ...
Authors:Forouhar, F, Anderson, J.L.R, Mowat, C.G, Bruckmann, C, Thackray, S.J, Seetharaman, J, Ho, C.K, Ma, L.C, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Champman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-11-14
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
1XPN
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BU of 1xpn by Molmil
NMR structure of P. aeruginosa protein PA1324: Northeast Structural Genomics Consortium target PaP1
Descriptor: hypothetical protein PA1324
Authors:Cort, J.R, Ni, S, Lockert, E.E, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2004-10-08
Release date:2004-11-23
Last modified:2024-03-06
Method:SOLUTION NMR
Cite:Structure and function of Pseudomonas aeruginosa protein PA1324 (21-170).
Protein Sci., 18, 2009

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