5IGN
 
 | | Crystal structure of human BRD9 bromodomain in complex with LP99 chemical probe | | Descriptor: | Bromodomain-containing protein 9, N-[(2R,3S)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3-yl]-2-methylpropane-1-sulfonamide | | Authors: | Tallant, C, Clark, P.G.K, Vieira, L.C.C, Newman, J.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-02-28 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of BRD9 bromodomain in complex with LP99 chemical probe
To Be Published
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8EXO
 | | Crystal structure of PI3K-alpha in complex with compound 19 | | Descriptor: | 1-{(4S,11aM)-2-[(4R)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-prolinamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | | Deposit date: | 2022-10-25 | | Release date: | 2022-11-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
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8EXU
 | | Crystal structure of PI3K-alpha in complex with compound 30 | | Descriptor: | (2S)-2-cyclopropyl-2-({(4S,11aM)-2-[(4S)-2-oxo-4-(trifluoromethyl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}amino)acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | | Deposit date: | 2022-10-25 | | Release date: | 2022-11-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
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8EXV
 | | Crystal structure of PI3K-alpha in complex with compound 32 | | Descriptor: | N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | | Deposit date: | 2022-10-25 | | Release date: | 2022-11-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
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2ESF
 | | Identification of a Novel Non-Catalytic Bicarbonate Binding Site in Eubacterial beta-Carbonic Anhydrase | | Descriptor: | BICARBONATE ION, Carbonic anhydrase 2, ZINC ION | | Authors: | Cronk, J.D, Rowlett, R.S, Zhang, K.Y.J, Tu, C, Endrizzi, J.A, Gareiss, P.C. | | Deposit date: | 2005-10-26 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Identification of a Novel Noncatalytic Bicarbonate Binding Site in Eubacterial beta-Carbonic Anhydrase.
Biochemistry, 45, 2006
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8EXP
 | | Cryo-EM structure of S. aureus BlaR1 with C2 symmetry | | Descriptor: | Beta-lactam sensor/signal transducer BlaR1, ZINC ION | | Authors: | Worrall, L.J, Alexander, J.A.N, Vuckovic, M, Strynadka, N.C.J. | | Deposit date: | 2022-10-25 | | Release date: | 2023-01-11 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus.
Nature, 613, 2023
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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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3IJI
 | | Structure of dipeptide epimerase from Bacteroides thetaiotaomicron complexed with L-Ala-D-Glu; nonproductive substrate binding. | | Descriptor: | ALANINE, D-GLUTAMIC ACID, MAGNESIUM ION, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Lukk, T, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2009-08-04 | | Release date: | 2010-07-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3IK4
 | | CRYSTAL STRUCTURE OF mandelate racemase/muconate lactonizing protein from Herpetosiphon aurantiacus | | Descriptor: | GLYCEROL, Mandelate racemase/muconate lactonizing protein, POTASSIUM ION | | Authors: | Patskovsky, Y, Toro, R, Dickey, M, Iizuka, M, Sauder, J.M, Gerlt, J.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-08-05 | | Release date: | 2009-08-18 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3M0U
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3M02
 | | The Crystal Structure of 5-epi-aristolochene synthase 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 (2.5 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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3M0Q
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5HAT
 | | Structure function studies of R. palustris RubisCO (S59F/M331A mutant; CABP-bound) | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase | | Authors: | Arbing, M.A, Leong, J.G, Cascio, D, Varaljay, V.A, Satagopan, S, North, J.A, Tabita, F.R. | | Deposit date: | 2015-12-30 | | Release date: | 2017-01-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure function studies of R. palustris RubisCO.
To Be Published
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3M47
 | | Crystal structure of the mutant I218A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum | | Descriptor: | GLYCEROL, Orotidine 5'-phosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2010-03-10 | | Release date: | 2010-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Conformational changes in orotidine 5'-monophosphate decarboxylase: "remote" residues that stabilize the active conformation.
Biochemistry, 49, 2010
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2TPK
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3I7Q
 | | Dihydrodipicolinate synthase mutant - K161A | | Descriptor: | Dihydrodipicolinate synthase, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Dobson, R.C.J, Jameson, G.B, Gerrard, J.A, Soares da Costa, T.P. | | Deposit date: | 2009-07-08 | | Release date: | 2010-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | How essential is the 'essential' active-site lysine in dihydrodipicolinate synthase?
Biochimie, 92, 2010
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2RDX
 | | Crystal structure of mandelate racemase/muconate lactonizing enzyme from Roseovarius nubinhibens ISM | | Descriptor: | GLYCEROL, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme, ... | | Authors: | Patskovsky, Y, Bonanno, J, Sauder, J.M, Ozyurt, S, Gilmore, M, Lau, C, Maletic, M, Gheyi, T, Wasserman, S.R, Koss, J, Gerlt, J.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-09-25 | | Release date: | 2007-10-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of mandelate racemase/muconate lactonizing enzyme from Roseovarius nubinhibens ISM.
To be Published
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5HK4
 | | Structure function studies of R. palustris RubisCO (A47V-M331A mutant) | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase | | Authors: | Arbing, M.A, Shin, A, Cascio, D, Satagopan, S, North, J.A, Tabita, F.R. | | Deposit date: | 2016-01-13 | | Release date: | 2017-01-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure function studies of R. palustris RubisCO.
To Be Published
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2PGY
 | | GTB C209A, no Hg | | Descriptor: | Glycoprotein-fucosylgalactoside alpha-galactosyltransferase | | Authors: | Letts, J.A, Schuman, B. | | Deposit date: | 2007-04-10 | | Release date: | 2007-07-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | The effect of heavy atoms on the conformation of the active-site polypeptide loop in human ABO(H) blood-group glycosyltransferase B.
Acta Crystallogr.,Sect.D, 63, 2007
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2G4C
 | | Crystal Structure of human DNA polymerase gamma accessory subunit | | Descriptor: | DNA polymerase gamma subunit 2 | | Authors: | Fan, L, Farr, C.L, Kaguni, L.S, Tainer, J.A. | | Deposit date: | 2006-02-22 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | A novel processive mechanism for DNA synthesis revealed by structure, modeling and mutagenesis of the accessory subunit of human mitochondrial DNA polymerase
J.Mol.Biol., 358, 2006
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3QJS
 | | The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus | | Descriptor: | CARBON MONOXIDE, COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, ... | | Authors: | Liu, B, Zhang, Y, Sage, J.T, Doukov, T, Chen, Y, Stout, C.D, Fee, J.A. | | Deposit date: | 2011-01-30 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B).
Biochim.Biophys.Acta, 1817, 2012
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3M0P
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3M0S
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2GCB
 | | G51S/S52T double mutant of L. casei FPGS | | Descriptor: | Folylpolyglutamate synthase | | Authors: | Smith, C.A, Cross, J.A, Bognar, A.L, Sun, X. | | Deposit date: | 2006-03-13 | | Release date: | 2006-06-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mutation of Gly51 to serine in the P-loop of Lactobacillus casei folylpolyglutamate synthetase abolishes activity by altering the conformation of two adjacent loops.
Acta Crystallogr.,Sect.D, 62, 2006
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4HDV
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