5EPK
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![BU of 5epk by Molmil](/molmil-images/mine/5epk) | Crystal Structure of chromodomain of CBX2 in complex with inhibitor UNC3866 | Descriptor: | Chromobox protein homolog 2, UNKNOWN ATOM OR ION, unc3866 | Authors: | Liu, Y, Tempel, W, Walker, J.R, Stuckey, J.I, Dickson, B.M, James, L.I, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-11 | Release date: | 2015-12-23 | Last modified: | 2019-11-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1. Nat.Chem.Biol., 12, 2016
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8G2H
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![BU of 8g2h by Molmil](/molmil-images/mine/8g2h) | Crystal Structure of PRMT4 with Compound YD1113 | Descriptor: | 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine, GLYCEROL, Histone-arginine methyltransferase CARM1, ... | Authors: | Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2023-02-03 | Release date: | 2023-12-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors. Acta Pharm Sin B, 13, 2023
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3MCU
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![BU of 3mcu by Molmil](/molmil-images/mine/3mcu) | Crystal structure of the dipicolinate synthase chain B from Bacillus cereus. Northeast Structural Genomics Consortium Target BcR215. | Descriptor: | Dipicolinate synthase, B chain, PHOSPHATE ION | Authors: | Vorobiev, S, Lew, S, Abashidze, M, Seetharaman, J, Wang, H, Ciccosanti, C, Foote, E.L, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-03-29 | Release date: | 2010-04-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Crystal structure of the dipicolinate synthase chain B from Bacillus cereus. To be Published
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1OYZ
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![BU of 1oyz by Molmil](/molmil-images/mine/1oyz) | X-RAY STRUCTURE OF YIBA_ECOLI NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET ET31. | Descriptor: | Hypothetical protein yibA | Authors: | Kuzin, A, Semesi, A, Skarina, T, Savchenko, A, Arrowsmith, C, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2003-04-07 | Release date: | 2003-08-12 | Last modified: | 2018-04-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-RAY STRUCTURE OF YIBA_ECOLI NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET ET31. To be Published
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8QLT
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![BU of 8qlt by Molmil](/molmil-images/mine/8qlt) | Human MST3 (STK24) kinase in complex with inhibitor MR30 | Descriptor: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | Authors: | Balourdas, D.I, Rak, M, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2023-09-20 | Release date: | 2023-11-08 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Development of Selective Pyrido[2,3- d ]pyrimidin-7(8 H )-one-Based Mammalian STE20-Like (MST3/4) Kinase Inhibitors. J.Med.Chem., 67, 2024
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5B8D
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![BU of 5b8d by Molmil](/molmil-images/mine/5b8d) | Crystal structure of a low occupancy fragment candidate (N-(4-Methyl-1,3-thiazol-2-yl)propanamide) bound adjacent to the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | FORMIC ACID, Histone deacetylase 6, SODIUM ION, ... | Authors: | Harding, R.J, Tempel, W, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, Ravichandran, M, Schapira, M, Bountra, C, Edwards, A.M, von Delft, F, Santhakumar, V, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-14 | Release date: | 2016-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin. J. Med. Chem., 60, 2017
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8BI8
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![BU of 8bi8 by Molmil](/molmil-images/mine/8bi8) | Structure of a cyclic beta-hairpin peptide derived from neuronal nitric oxide synthase | Descriptor: | Nitric oxide synthase, brain | Authors: | Balboa, J.R, Ostergaard, S, Stromgaard, K, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2022-11-01 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Development of a Potent Cyclic Peptide Inhibitor of the nNOS/PSD-95 Interaction. J.Med.Chem., 66, 2023
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8BI9
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![BU of 8bi9 by Molmil](/molmil-images/mine/8bi9) | Structure of a cyclic beta-hairpin peptide derived from neuronal nitric oxide synthase (T112W/T116E variant) | Descriptor: | Nitric oxide synthase, brain, TERTIARY-BUTYL ALCOHOL | Authors: | Balboa, J.R, Ostergaard, S, Stromgaard, K, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2022-11-01 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Development of a Potent Cyclic Peptide Inhibitor of the nNOS/PSD-95 Interaction. J.Med.Chem., 66, 2023
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7ZHQ
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![BU of 7zhq by Molmil](/molmil-images/mine/7zhq) | Crystal structure of TTBK1 in complex with compound 10 (7-009) | Descriptor: | (3~{S})-1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-methyl-pent-1-yn-3-ol, 1,2-ETHANEDIOL, PHOSPHATE ION, ... | Authors: | Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2022-04-06 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis. Sci Rep, 13, 2023
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7ZHO
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![BU of 7zho by Molmil](/molmil-images/mine/7zho) | Crystal structure of TTBK1 in complex with compound 3 (7-001) | Descriptor: | 1,2-ETHANEDIOL, 4-[3-(2-azanylpyrimidin-4-yl)-1~{H}-indol-5-yl]-2-methyl-but-3-yn-2-ol, PHOSPHATE ION, ... | Authors: | Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2022-04-06 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis. Sci Rep, 13, 2023
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7ZHP
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![BU of 7zhp by Molmil](/molmil-images/mine/7zhp) | Crystal structure of TTBK1 in complex with compound 9 (7-005) | Descriptor: | 1,2-ETHANEDIOL, 1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-ethyl-pent-1-yn-3-ol, PHOSPHATE ION, ... | Authors: | Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2022-04-06 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis. Sci Rep, 13, 2023
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3NIX
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![BU of 3nix by Molmil](/molmil-images/mine/3nix) | Crystal structure of flavoprotein/dehydrogenase from Cytophaga hutchinsonii. Northeast Structural Genomics Consortium Target ChR43. | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Flavoprotein/dehydrogenase | Authors: | Vorobiev, S, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Foote, E.L, 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: | 2010-06-16 | Release date: | 2010-06-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of flavoprotein/dehydrogenase from Cytophaga hutchinsonii. To be Published
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4ZRA
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![BU of 4zra by Molmil](/molmil-images/mine/4zra) | 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
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5E7D
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![BU of 5e7d by Molmil](/molmil-images/mine/5e7d) | Crystal Structure of the fifth bromodomain of human PB1 in complex with a hydroxyphenyl ligand | Descriptor: | (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one, 1,2-ETHANEDIOL, Protein polybromo-1 | Authors: | Filippakopoulos, P, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Owen, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-10-12 | Release date: | 2016-10-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal Structure of the fifth bromodomain of human PB1 in complex with a hydroxyphenyl ligand To Be Published
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1NY1
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![BU of 1ny1 by Molmil](/molmil-images/mine/1ny1) | CRYSTAL STRUCTURE OF B. SUBTILIS POLYSACCHARIDE DEACETYLASE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET SR127. | Descriptor: | Probable polysaccharide deacetylase pdaA | Authors: | Forouhar, F, Edstrom, W, Khan, J, Ma, L, Chiang, Y, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2003-02-11 | Release date: | 2003-03-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Polysaccharide Deacetylase (PDAA_BACSU) from B. Subtilis (Pdaa_Bacsu) Northeast Structural Genomics Research Consortium (Nesg) Target Sr127 To be Published
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1LXJ
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![BU of 1lxj by Molmil](/molmil-images/mine/1lxj) | 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
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1TE7
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![BU of 1te7 by Molmil](/molmil-images/mine/1te7) | Solution NMR Structure of Protein yqfB from Escherichia coli. Northeast Structural Genomics Consortium Target ET99 | Descriptor: | Hypothetical UPF0267 protein yqfB | Authors: | Atreya, H.S, Shen, Y, Yee, A, Arrowsmith, C, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-05-24 | Release date: | 2005-01-04 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | G-Matrix Fourier Transform NOESY-Based Protocol for High-Quality Protein Structure Determination J.Am.Chem.Soc., 127, 2005
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4F7W
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![BU of 4f7w by Molmil](/molmil-images/mine/4f7w) | Crystal structure of Klebsiella pneumoniae pantothenate kinase in complex with N-pentylpantothenamide | Descriptor: | (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide, ADENOSINE-5'-DIPHOSPHATE, Pantothenate kinase, ... | Authors: | Li, B, Tempel, W, Smil, D, Bolshan, Y, Hong, B.S, Park, H.W, Structural Genomics Consortium (SGC) | Deposit date: | 2012-05-16 | Release date: | 2013-04-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of Klebsiella pneumoniae pantothenate kinase in complex with N-substituted pantothenamides. Proteins, 81, 2013
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2RA2
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![BU of 2ra2 by Molmil](/molmil-images/mine/2ra2) | X-Ray structure of the Q7CPV8 protein from Salmonella typhimurium at the resolution 1.9 A. Northeast Structural Genomics Consortium target StR88A | Descriptor: | Putative lipoprotein | Authors: | Kuzin, A.P, Su, M, Seetharaman, J, Vorobiev, S.M, Wang, H, Mao, L, Cunningham, K, 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: | 2007-09-14 | Release date: | 2007-10-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-Ray structure of the Q7CPV8 protein from Salmonella typhimurium at the resolution 1.9 A. To be Published
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2R76
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![BU of 2r76 by Molmil](/molmil-images/mine/2r76) | Crystal structure of the rare lipoprotein B (SO_1173) from Shewanella oneidensis, Northeast Structural Genomics Consortium Target SoR91A | Descriptor: | Rare lipoprotein B | Authors: | Forouhar, F, Chen, Y, Seetharaman, J, Mao, L, Maglaqui, M, Owen, L.A, Cunningham, K, Fang, Y, Xiao, R, Baran, M.C, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-09-07 | Release date: | 2007-09-25 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the rare lipoprotein B (SO_1173) from Shewanella oneidensis. To be Published
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5BO2
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![BU of 5bo2 by Molmil](/molmil-images/mine/5bo2) | |
5BNE
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![BU of 5bne by Molmil](/molmil-images/mine/5bne) | |
5C1R
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![BU of 5c1r by Molmil](/molmil-images/mine/5c1r) | Stereoisomer of PRPP bound in the active site of Mycobacterium tuberculosis anthranilate phosphoribosyl (AnPRT; trpD) | Descriptor: | 5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-1-O-phosphono-alpha-D-ribofuranose, Anthranilate phosphoribosyltransferase, GLYCEROL, ... | Authors: | Evans, G.L, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2015-06-15 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Binding and mimicking of the phosphate-rich substrate, PRPP. To Be Published
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4D86
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![BU of 4d86 by Molmil](/molmil-images/mine/4d86) | Human PARP14 (ARTD8, BAL2) - macro domains 1 and 2 in complex with adenosine-5-diphosphate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Poly [ADP-ribose] polymerase 14 | Authors: | Karlberg, T, Thorsell, A.G, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Ekblad, T, Weigelt, J, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2012-01-10 | Release date: | 2013-03-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains. Structure, 21, 2013
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4ER5
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![BU of 4er5 by Molmil](/molmil-images/mine/4er5) | Crystal structure of human DOT1L in complex with 2 molecules of EPZ004777 | Descriptor: | 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-04-19 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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