8ODW
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![BU of 8odw by Molmil](/molmil-images/mine/8odw) | Crystal structure of LbmA Ox-ACP didomain in complex with NADP and ethyl glycinate from the lobatamide PKS (Gynuella sunshinyii) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Francois, R.M.M, Fraley, A.E, Piel, J, Weissman, K.J, Gruez, A. | Deposit date: | 2023-03-09 | Release date: | 2023-05-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Modular Oxime Formation by a trans-AT Polyketide Synthase. Angew.Chem.Int.Ed.Engl., 62, 2023
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2KWX
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8OGH
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![BU of 8ogh by Molmil](/molmil-images/mine/8ogh) | Truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Mycobacterium tuberculosis with butylacetylphosphonate (BAP) bound | Descriptor: | 1,2-ETHANEDIOL, 1-deoxy-D-xylulose-5-phosphate synthase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gawriljuk, O.V, Oerlemans, R, Groves, R.M. | Deposit date: | 2023-03-20 | Release date: | 2023-05-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of Mycobacterium tuberculosis 1-Deoxy-D-Xylulose 5-Phosphate Synthase in Complex with Butylacetylphosphonate Crystals, 13, 2023
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2KKZ
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![BU of 2kkz by Molmil](/molmil-images/mine/2kkz) | Solution NMR structure of the monomeric W187R mutant of A/Udorn NS1 effector domain. Northeast Structural Genomics target OR8C[W187R]. | Descriptor: | Non-structural protein NS1 | Authors: | Aramini, J.M, Ma, L, Lee, H, Zhao, L, Cunningham, K, Ciccosanti, C, Janjua, H, Fang, Y, Xiao, R, Krug, R.M, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-06-29 | Release date: | 2009-07-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of the monomeric W187R mutant of A/Udorn NS1 effector domain. Northeast Structural Genomics target OR8C[W187R]. To be Published
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2VAU
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![BU of 2vau by Molmil](/molmil-images/mine/2vau) | Isopenicillin N synthase with substrate analogue ACOMP (unexposed) | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHETASE, N6^-[(1R)-2-[(1S)-1-CARBOXY-2-(METHYLSULFANYL)ETHOXY]-2-OXO-1-(SULFANYLMETHYL)ETHYL]-6-OXO-L-LYSINE | Authors: | Ge, W, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | Deposit date: | 2007-09-04 | Release date: | 2008-07-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Isopenicillin N Synthase Mediates Thiolate Oxidation to Sulfenate in a Depsipeptide Substrate Analogue: Implications for Oxygen Binding and a Link to Nitrile Hydratase? J.Am.Chem.Soc., 130, 2008
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1CER
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2WO7
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![BU of 2wo7 by Molmil](/molmil-images/mine/2wo7) | Isopenicillin N synthase with substrate analogue L,L,D-ACd2Ab (unexposed) | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-VINYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHASE | Authors: | Ge, W, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | Deposit date: | 2009-07-22 | Release date: | 2010-07-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystallographic Studies on the Binding of Selectively Deuterated Lld- and Lll-Substrate Epimers by Isopenicillin N Synthase. Biochem.Biophys.Res.Commun., 398, 2010
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6CW2
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![BU of 6cw2 by Molmil](/molmil-images/mine/6cw2) | Crystal structure of a yeast SAGA transcriptional coactivator Ada2/Gcn5 HAT subcomplex, crystal form 1 | Descriptor: | Histone acetyltransferase GCN5, Transcriptional adapter 2, ZINC ION, ... | Authors: | Sun, J, Paduch, M, Kim, S.A, Kramer, R.M, Barrios, A.F, Lu, V, Luke, J, Usatyuk, S, Kossiakoff, A.A, Tan, S. | Deposit date: | 2018-03-29 | Release date: | 2018-09-19 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Structural basis for activation of SAGA histone acetyltransferase Gcn5 by partner subunit Ada2. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6CQH
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![BU of 6cqh by Molmil](/molmil-images/mine/6cqh) | Crystal Structure of the Human vaccinia-related kinase bound to a N-propynyl-N-ethyl-dihydropteridine inhibitor | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-ethyl-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, ACETATE ION, CHLORIDE ION, ... | Authors: | dos Reis, C.V, de Souza, G.P, Counago, R.M, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-15 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal Structure of the Human vaccinia-related kinase bound to a N-propynyl-N-ethyl-dihydropteridine inhibitor To Be Published
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2HG1
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3LZC
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![BU of 3lzc by Molmil](/molmil-images/mine/3lzc) | Crystal structure of Dph2 from Pyrococcus horikoshii | Descriptor: | Dph2 | Authors: | Zhang, Y, Zhu, X, Torelli, A.T, Lee, M, Dzikovski, B, Koralewski, R.M, Wang, E, Freed, J, Krebs, C, Lin, H, Ealick, S.E. | Deposit date: | 2010-03-01 | Release date: | 2010-06-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.261 Å) | Cite: | Diphthamide biosynthesis requires an organic radical generated by an iron-sulphur enzyme. Nature, 465, 2010
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4P5I
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![BU of 4p5i by Molmil](/molmil-images/mine/4p5i) | Crystal structure of the chemokine binding protein from orf virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chemokine binding protein | Authors: | Counago, R.M, Krause, K.L. | Deposit date: | 2014-03-17 | Release date: | 2015-07-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structures of Orf Virus Chemokine Binding Protein in Complex with Host Chemokines Reveal Clues to Broad Binding Specificity. Structure, 23, 2015
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3M00
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![BU of 3m00 by Molmil](/molmil-images/mine/3m00) | Crystal Structure of 5-epi-aristolochene synthase M4 mutant complexed with (2-cis,6-trans)-2-fluorofarnesyl diphosphate | Descriptor: | (2E,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Aristolochene synthase, MAGNESIUM ION | Authors: | Noel, J.P, Dellas, N, Faraldos, J.A, Zhao, M, Hess Jr, B.A, Smentek, L, Coates, R.M, O'Maille, P.E. | Deposit date: | 2010-03-02 | Release date: | 2010-07-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural elucidation of cisoid and transoid cyclization pathways of a sesquiterpene synthase using 2-fluorofarnesyl diphosphates. Acs Chem.Biol., 5, 2010
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6CPY
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![BU of 6cpy by Molmil](/molmil-images/mine/6cpy) | Structure of apo GRMZM2G135359 pseudokinase | Descriptor: | GRMZM2G135359 pseudokinase | Authors: | Aquino, B, Counago, R.M, Godoi, P.H.C, Massirer, K.B, Elkins, J.M, Arruda, P, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-14 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of apo GRMZM2G135359 pseudokinase To be Published
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6CSW
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![BU of 6csw by Molmil](/molmil-images/mine/6csw) | Crystal Structure of the Human vaccinia-related kinase bound to a N-methyl-N-propyl-dihydropteridine inhibitor | Descriptor: | (7R)-5-butyl-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-7,8-dihydropteridin-6(5H)-one, ACETATE ION, CHLORIDE ION, ... | Authors: | dos Reis, C.V, de Souza, G.P, Counago, R.M, Chiodi, C.G, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-21 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal Structure of the Human vaccinia-related kinase bound to a N-methyl-N-propyl-dihydropteridine inhibitor To Be Published
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2X34
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![BU of 2x34 by Molmil](/molmil-images/mine/2x34) | Structure of a polyisoprenoid binding domain from Saccharophagus degradans implicated in plant cell wall breakdown | Descriptor: | CELLULOSE-BINDING PROTEIN, X158, Ubiquinone-8 | Authors: | Vincent, F, Dal Molin, D, Weiner, R.M, Bourne, Y, Henrissat, B. | Deposit date: | 2010-01-19 | Release date: | 2010-03-23 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of a Polyisoprenoid Binding Domain from Saccharophagus Degradans Implicated in Plant Cell Wall Breakdown FEBS Lett., 584, 2010
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3MTT
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![BU of 3mtt by Molmil](/molmil-images/mine/3mtt) | Crystal structure of iSH2 domain of human p85beta, Northeast Structural Genomics Consortium Target HR5531C | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit beta | Authors: | Guan, R, Schauder, C, Ma, L.C, Krug, R.M, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-04-30 | Release date: | 2010-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure of the iSH2 domain of human phosphatidylinositol 3-kinase p85beta subunit reveals conformational plasticity in the interhelical turn region Acta Crystallogr.,Sect.F, 66, 2010
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6CMM
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![BU of 6cmm by Molmil](/molmil-images/mine/6cmm) | Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine inhibitor | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | dos Reis, C.V, de Souza, G.P, Counago, R.M, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-05 | Release date: | 2018-03-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine inhibitor To Be Published
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1HST
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![BU of 1hst by Molmil](/molmil-images/mine/1hst) | CRYSTAL STRUCTURE OF GLOBULAR DOMAIN OF HISTONE H5 AND ITS IMPLICATIONS FOR NUCLEOSOME BINDING | Descriptor: | HISTONE H5 | Authors: | Ramakrishnan, V, Finch, J.T, Graziano, V, Lee, P.L, Sweet, R.M. | Deposit date: | 1993-03-30 | Release date: | 1993-10-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of globular domain of histone H5 and its implications for nucleosome binding. Nature, 362, 1993
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2GQP
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2H5F
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![BU of 2h5f by Molmil](/molmil-images/mine/2h5f) | Denmotoxin: A the three-finger toxin from colubrid snake Boiga dendrophila with bird-specific activity | Descriptor: | PHOSPHATE ION, POTASSIUM ION, SODIUM ION, ... | Authors: | Pawlak, J, Kini, R.M, Stura, E.A. | Deposit date: | 2006-05-26 | Release date: | 2006-08-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Denmotoxin, a three-finger toxin from the colubrid snake Boiga dendrophila (Mangrove Catsnake) with bird-specific activity. J.Biol.Chem., 281, 2006
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6CW3
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![BU of 6cw3 by Molmil](/molmil-images/mine/6cw3) | Crystal structure of a yeast SAGA transcriptional coactivator Ada2/Gcn5 HAT subcomplex, crystal form 2 | Descriptor: | Histone acetyltransferase GCN5, Transcriptional adapter 2, ZINC ION, ... | Authors: | Sun, J, Paduch, M, Kim, S.A, Kramer, R.M, Barrios, A.F, Lu, V, Luke, J, Usatyuk, S, Kossiakoff, A.A, Tan, S. | Deposit date: | 2018-03-29 | Release date: | 2018-09-19 | Last modified: | 2020-03-04 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural basis for activation of SAGA histone acetyltransferase Gcn5 by partner subunit Ada2. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2XCN
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![BU of 2xcn by Molmil](/molmil-images/mine/2xcn) | Crystal structure of HCV NS3 protease with a boronate inhibitor | Descriptor: | MAGNESIUM ION, N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE, NS3 PROTEASE, ... | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E. | Deposit date: | 2010-04-23 | Release date: | 2010-06-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease. Bioorg.Med.Chem.Lett., 20, 2010
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2XCF
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![BU of 2xcf by Molmil](/molmil-images/mine/2xcf) | Crystal structure of HCV NS3 protease with a boronate inhibitor | Descriptor: | CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-HYDROXY-1,6,10-TRIOXA-5$L^{4}-BORASPIRO[4.5]DECAN-4-YL]CARBAMOYL]-4-ISOQUINOLIN-1-YLOXY-PYRROLIDIN-1-YL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, MAGNESIUM ION, NS3 PROTEASE, ... | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E. | Deposit date: | 2010-04-22 | Release date: | 2010-06-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease. Bioorg.Med.Chem.Lett., 20, 2010
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1CN4
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