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6GYO
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BU of 6gyo by Molmil
Structure of human HCN4 hyperpolarization-activated cyclic nucleotide-gated ion channel in complex with cAMP
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ...
Authors:Shintre, C.A, Pike, A.C.W, Tessitore, A, Young, M, Bushell, S.R, Strain-Damerell, C, Mukhopadhyay, S, Burgess-Brown, N.A, Huiskonen, J.T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2018-06-30
Release date:2019-05-01
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of human HCN4 hyperpolarization-activated cyclic nucleotide-gated ion channel
To Be Published
4Z0O
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BU of 4z0o by Molmil
CW-type zinc finger of ZCWPW2 with F78D mutation
Descriptor: SODIUM ION, UNKNOWN ATOM OR ION, ZINC ION, ...
Authors:Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2015-03-26
Release date:2015-04-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:CW-type zinc finger of ZCWPW2 with F78D mutation
To be Published
4ZHN
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BU of 4zhn by Molmil
Crystal Structure of AlkB T208A mutant protein in complex with Co(II), 2-oxoglutarate, and methylated trinucleotide T-meA-T
Descriptor: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, COBALT (II) ION, ...
Authors:Ergel, B, Yu, B, Vorobiev, S.M, Forouhar, F, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2015-04-25
Release date:2015-12-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.333 Å)
Cite:DFT Studies of the Rate-Limiting Step in the Reaction Cycle of the Fe/2OG Dioxygenase AlkB and Related Experimental Studies
To be published
5BO3
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BU of 5bo3 by Molmil
Bianthranilate-like inhibitor with 5 atom "line" and phosphonate "hook" fishing for hydrogen bond donors in Mycobacterium tuberculosis anthranilate phosphoribosyltransferase (AnPRT; trpD)
Descriptor: 2-[(2-carboxyphenyl)amino]-5-(4-phosphonobutoxy)benzoic acid, Anthranilate phosphoribosyltransferase, IMIDAZOLE
Authors:Evans, G.L, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-05-27
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Binding and mimicking of the phosphate-rich substrate, PRPP.
To be Published
4ZRA
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BU of 4zra by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS LPRG BINDING TO TRIACYLGLYCERIDE
Descriptor: Lipoprotein LprG, Tripalmitoylglycerol
Authors:Martinot, A.J, Farrow, M, Bai, L, Layre, E, Cheng, T.Y, Tsai, J.H.C, Iqbal, J, Annand, J, Sullivan, Z, Hussain, M, Sacchettini, J, Moody, D.B, Seeliger, J, Rubin, E.J, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-05-12
Release date:2016-02-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Mycobacterial Metabolic Syndrome: LprG and Rv1410 Regulate Triacylglyceride Levels, Growth Rate and Virulence in Mycobacterium tuberculosis.
Plos Pathog., 12, 2016
1LXJ
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BU of 1lxj by Molmil
X-RAY STRUCTURE OF YBL001c NORTHEAST STRUCTURAL GENOMICS (NESG) CONSORTIUM TARGET YTYst72
Descriptor: HYPOTHETICAL 11.5KDA PROTEIN IN HTB2-NTH2 INTERGENIC REGION, SULFATE ION
Authors:Tao, X, Khayat, R, Christendat, D, Savchenko, A, Xu, X, Edwards, A, Arrowsmith, C.H, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2002-06-05
Release date:2003-07-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:CRYSTAL STRUCTURES OF MTH1187 AND ITS YEAST ORTHOLOG YBL001C
Proteins, 52, 2003
4FPW
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BU of 4fpw by Molmil
Crystal Structure of CalU16 from Micromonospora echinospora. Northeast Structural Genomics Consortium Target MiR12.
Descriptor: CalU16
Authors:Seetharaman, J, Lew, S, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Phillips Jr, G.N, Kennedy, M.A, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-06-22
Release date:2012-12-12
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Guided Functional Characterization of Enediyne Self-Sacrifice Resistance Proteins, CalU16 and CalU19.
Acs Chem.Biol., 9, 2014
3MGJ
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BU of 3mgj by Molmil
Crystal structure of the Saccharop_dh_N domain of MJ1480 protein from Methanococcus jannaschii. Northeast Structural Genomics Consortium Target MjR83a.
Descriptor: Uncharacterized protein MJ1480
Authors:Vorobiev, S, Neely, H, Seetharaman, J, Lee, D, Patel, D, Ciccosanti, C, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-04-06
Release date:2010-04-21
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Crystal structure of the Saccharop_dh_N domain of MJ1480 protein from Methanococcus jannaschii.
To be Published
3NLC
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BU of 3nlc by Molmil
Crystal structure of the VP0956 protein from Vibrio parahaemolyticus. Northeast Structural Genomics Consortium Target VpR147
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Uncharacterized protein VP0956
Authors:Vorobiev, S, Neely, H, Seetharaman, J, Wang, D, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-06-21
Release date:2010-08-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of the VP0956 protein from Vibrio parahaemolyticus.
To be Published
3O6U
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BU of 3o6u by Molmil
Crystal Structure of CPE2226 protein from Clostridium perfringens. Northeast Structural Genomics Consortium Target CpR195
Descriptor: uncharacterized protein CPE2226
Authors:Vorobiev, S, Su, M, Seetharaman, J, Patel, P, 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:2010-07-29
Release date:2010-08-11
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of CPE2226 protein from Clostridium perfringens.
To be Published
6Y2D
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BU of 6y2d by Molmil
Crystal structure of the second KH domain of FUBP1
Descriptor: Far upstream element-binding protein 1, GLYCEROL, SULFATE ION
Authors:Ni, X, Chaikuad, A, Joerger, A.C, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-02-15
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Comparative structural analyses and nucleotide-binding characterization of the four KH domains of FUBP1.
Sci Rep, 10, 2020
6Y2C
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BU of 6y2c by Molmil
Crystal structure of the third KH domain of FUBP1
Descriptor: 1,2-ETHANEDIOL, Far upstream element-binding protein 1, ZINC ION
Authors:Ni, X, Joerger, A.C, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-02-15
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Comparative structural analyses and nucleotide-binding characterization of the four KH domains of FUBP1.
Sci Rep, 10, 2020
3NNG
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BU of 3nng by Molmil
Crystal structure of the F5/8 type C domain of Q5LFR2_BACFN protein from Bacteroides fragilis. Northeast Structural Genomics Consortium Target BfR258E
Descriptor: CALCIUM ION, uncharacterized protein
Authors:Vorobiev, S, Su, M, Dimaio, F, Baker, D, Seetharaman, J, Janjua, J, Xiao, R, Ciccosanti, C, Foote, E.L, Lee, D, 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:2010-06-23
Release date:2010-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.177 Å)
Cite:Crystal structure of the F5/8 type C domain of Q5LFR2_BACFN protein from Bacteroides fragilis.
To be Published
3NJC
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BU of 3njc by Molmil
Crystal structure of the yslB protein from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR460.
Descriptor: YSLB protein
Authors:Vorobiev, S, Abashidze, M, Seetharaman, J, Wang, D, Cunningham, K, Ma, L.-C, Owens, L, Fang, Y, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-06-17
Release date:2010-09-22
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.693 Å)
Cite:Crystal structure of the yslB protein from Bacillus subtilis.
To be Published
3PU2
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BU of 3pu2 by Molmil
Crystal Structure of the Q3J4M4_RHOS4 protein from Rhodobacter sphaeroides. Northeast Structural Genomics Consortium Target RhR263.
Descriptor: uncharacterized protein
Authors:Vorobiev, S, Chen, Y, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Wang, D, 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:2010-12-03
Release date:2010-12-15
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (2.606 Å)
Cite:Crystal Structure of the Q3J4M4_RHOS4 protein from Rhodobacter sphaeroides.
To be Published
5HTC
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BU of 5htc by Molmil
Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3372
Descriptor: (2R)-2-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}butanedioic acid (non-preferred name), (4S)-2-METHYL-2,4-PENTANEDIOL, ARC-3372 INHIBITOR, ...
Authors:Chaikuad, A, Heroven, C, Lavogina, D, Kestav, K, Uri, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-01-26
Release date:2016-03-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Co-crystal structures of the protein kinase haspin with bisubstrate inhibitors.
Acta Crystallogr.,Sect.F, 72, 2016
3CNW
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BU of 3cnw by Molmil
Three-dimensional structure of the protein XoxI (Q81AY6) from Bacillus cereus. Northeast Structural Genomics Consortium target BcR196.
Descriptor: Protein XoxI
Authors:Kuzin, A.P, Abashidze, M, Seetharaman, J, Wang, H, Ciccosanti, C, Mao, L, Xiao, R, Nair, R, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-03-26
Release date:2008-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Three-dimensional structure of the protein XoxI (Q81AY6) from Bacillus cereus. Northeast Structural Genomics Consortium target BcR196.
To Be Published
3NZP
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BU of 3nzp by Molmil
Crystal Structure of the Biosynthetic Arginine decarboxylase SpeA from Campylobacter jejuni, Northeast Structural Genomics Consortium Target BR53
Descriptor: Arginine decarboxylase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Forouhar, F, Lew, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Belote, R.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:2010-07-16
Release date:2010-09-01
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of bacterial biosynthetic arginine decarboxylases.
Acta Crystallogr.,Sect.F, 66, 2010
3NZQ
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BU of 3nzq by Molmil
Crystal Structure of Biosynthetic arginine decarboxylase ADC (SpeA) from Escherichia coli, Northeast Structural Genomics Consortium Target ER600
Descriptor: Biosynthetic arginine decarboxylase, SULFATE ION
Authors:Forouhar, F, Lew, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Belote, R.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:2010-07-16
Release date:2010-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of bacterial biosynthetic arginine decarboxylases.
Acta Crystallogr.,Sect.F, 66, 2010
3NNQ
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BU of 3nnq by Molmil
Crystal Structure of the N-terminal domain of Moloney murine leukemia virus integrase, Northeast Structural Genomics Consortium Target OR3
Descriptor: ACETATE ION, N-terminal domain of Moloney murine leukemia virus integrase, ZINC ION
Authors:Guan, R, Xiao, R, Acton, T, Jiang, M, Roth, M, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-06-24
Release date:2010-07-14
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (2.693 Å)
Cite:X-ray crystal structure of the N-terminal region of Moloney murine leukemia virus integrase and its implications for viral DNA recognition.
Proteins, 85, 2017
1JRM
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BU of 1jrm by Molmil
NMR structure of MTH0637. Ontario Centre for Structural Proteomics target MTH0637_1_104; Northeast Structural Genomics Target TT135
Descriptor: CONSERVED HYPOTHETICAL PROTEIN mth637
Authors:Pineda-Lucena, A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2001-08-14
Release date:2002-02-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:An NMR approach to structural proteomics.
Proc.Natl.Acad.Sci.USA, 99, 2002
5FE5
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BU of 5fe5 by Molmil
Crystal structure of human PCAF bromodomain in complex with fragment MB093 (fragment 7)
Descriptor: 1,2-ETHANEDIOL, 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, 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 (2.12 Å)
Cite:Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
5FE4
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BU of 5fe4 by Molmil
Crystal structure of human PCAF bromodomain in complex with fragment MB364 (fragment 5)
Descriptor: 1,2-ETHANEDIOL, 2,3-dihydro-1,4-benzodioxine-5-carboxamide, Histone acetyltransferase KAT2B
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 (2.15 Å)
Cite:Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
5FE1
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BU of 5fe1 by Molmil
Crystal structure of human PCAF bromodomain in complex with fragment BR004 (fragment 1)
Descriptor: 1,2-ETHANEDIOL, 1-METHYLQUINOLIN-2(1H)-ONE, Histone acetyltransferase KAT2B
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 (2.22 Å)
Cite:Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
5FE8
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BU of 5fe8 by Molmil
Crystal structure of human PCAF bromodomain in complex with compound SL1126 (compound 12)
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Histone acetyltransferase KAT2B, ...
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 (2.1 Å)
Cite:Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016

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