4M55
 
 | | Crystal structure of Human UDP-xylose synthase R236H substitution | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYROPHOSPHATE 2-, SULFATE ION, ... | | Authors: | Walsh Jr, R.M, Polizzi, S.J, Wood, Z.A. | | Deposit date: | 2013-08-08 | | Release date: | 2013-08-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Man o' war mutation in UDP-alpha-D-xylose synthase favors the abortive catalytic cycle and uncovers a latent potential for hexamer formation.
Biochemistry, 54, 2015
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4MD8
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4LS5
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4LSM
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4LPB
 | | Crystal structure of a topoisomerase ATPase inhibitor | | Descriptor: | 1-ethyl-3-{5'-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridin-6-yl}urea, Topoisomerase IV subunit B | | Authors: | Boriack-Sjodin, A. | | Deposit date: | 2013-07-15 | | Release date: | 2013-10-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Fragment-to-Hit-to-Lead Discovery of a Novel Pyridylurea Scaffold of ATP Competitive Dual Targeting Type II Topoisomerase Inhibiting Antibacterial Agents.
J.Med.Chem., 56, 2013
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4LUG
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4LQU
 | | 1.60A resolution crystal structure of a superfolder green fluorescent protein (W57G) mutant | | Descriptor: | Green fluorescent protein | | Authors: | Lovell, S, Xia, Y, Vo, B, Battaile, K.P, Egan, C, Karanicolas, J. | | Deposit date: | 2013-07-19 | | Release date: | 2013-12-18 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The designability of protein switches by chemical rescue of structure: mechanisms of inactivation and reactivation.
J.Am.Chem.Soc., 135, 2013
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4LRG
 | | Structure of BRD4 bromodomain 1 with a dimethyl thiophene isoxazole azepine carboxamide | | Descriptor: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide, Bromodomain-containing protein 4 | | Authors: | Ravichandran, S, Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S. | | Deposit date: | 2013-07-19 | | Release date: | 2013-08-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors.
ACS Med Chem Lett, 4, 2013
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4LV4
 | | A noncompetitive inhibitor for M. tuberculosis's class IIa fructose 1,6-bisphosphate aldolase | | Descriptor: | 8-hydroxyquinoline-2-carboxylic acid, ACETATE ION, Fructose-bisphosphate aldolase, ... | | Authors: | Capodagli, G.C, Pegan, S.D. | | Deposit date: | 2013-07-25 | | Release date: | 2014-01-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | A Noncompetitive Inhibitor for Mycobacterium tuberculosis's Class IIa Fructose 1,6-Bisphosphate Aldolase.
Biochemistry, 53, 2014
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4LU4
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4LYF
 | | Crystal Structure of small molecule vinylsulfonamide 8 covalently bound to K-Ras G12C | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, N-{1-[N-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide | | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | | Deposit date: | 2013-07-31 | | Release date: | 2013-11-27 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.568 Å) | | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
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4LYW
 | | Crystal Structure of BRD4(1) bound to inhibitor XD14 | | Descriptor: | 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | | Authors: | Wohlwend, D, Gerhardt, S, Einsle, O. | | Deposit date: | 2013-07-31 | | Release date: | 2014-01-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
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4LZZ
 | | Nucleotide-induced asymmetry within atpase activator ring drives s54-RNAP interaction and ATP hydrolysis | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transcriptional regulator (NtrC family), ... | | Authors: | Sysoeva, T.A, Chowdhury, S, Guo, L, Nixon, B.T. | | Deposit date: | 2013-08-01 | | Release date: | 2013-12-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.21 Å) | | Cite: | Nucleotide-induced asymmetry within ATPase activator ring drives sigma 54-RNAP interaction and ATP hydrolysis.
Genes Dev., 27, 2013
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4M2Q
 | | Crystal structure of non-myristoylated recoverin with Cysteine-39 oxidized to sulfenic acid | | Descriptor: | CALCIUM ION, Recoverin | | Authors: | Prem Kumar, R, Chakrabarti, K, Kern, D, Oprian, D.D. | | Deposit date: | 2013-08-05 | | Release date: | 2013-11-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Highly Conserved Cysteine of Neuronal Calcium-sensing Proteins Controls Cooperative Binding of Ca2+ to Recoverin.
J.Biol.Chem., 288, 2013
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4LM5
 | | Crystal structure of Pim1 in complex with 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol (resulting from displacement of SKF86002) | | Descriptor: | 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol, GLYCEROL, Serine/threonine-protein kinase pim-1 | | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | | Deposit date: | 2013-07-10 | | Release date: | 2014-02-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014
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4L8G
 | | Crystal Structure of K-Ras G12C, GDP-bound | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | | Deposit date: | 2013-06-17 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.521 Å) | | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
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4L8Q
 | | Crystal structure of Canavalia grandiflora seed lectin complexed with X-Man. | | Descriptor: | 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CADMIUM ION, CALCIUM ION, ... | | Authors: | Barroso-Neto, I.L, Rocha, B.A.M, Simoes, R.C, Bezerra, M.J.B, Pereira-Junior, F.N, Osterne, V.J.S, Nascimento, K.S, Nagano, C.S, Delatorre, P, Sampaio, A.H, Cavada, B.S. | | Deposit date: | 2013-06-17 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Vasorelaxant activity of Canavalia grandiflora seed lectin: A structural analysis.
Arch.Biochem.Biophys., 543, 2014
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4L9O
 | | Crystal Structure of the Sec13-Sec16 blade-inserted complex from Pichia pastoris | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | McMahon, C, Jeffrey, P.D, Hughson, F.M. | | Deposit date: | 2013-06-18 | | Release date: | 2013-10-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Sec16 influences transitional ER sites by regulating rather than organizing COPII.
Mol Biol Cell, 24, 2013
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4LC2
 | | Crystal structure of the bromodomain of human BRPF1B | | Descriptor: | 1,2-ETHANEDIOL, NITRATE ION, Peregrin | | Authors: | Tallant, C, Nunez-Alonso, G, Savitsky, P, Picaud, S, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-06-21 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of the bromodomain of human BRPF1B
TO BE PUBLISHED
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4LE2
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4KZT
 | | Structure mmNAGS bound with L-arginine | | Descriptor: | ARGININE, DI(HYDROXYETHYL)ETHER, N-acetylglutamate kinase / N-acetylglutamate synthase | | Authors: | Zhao, G, Jin, Z, Allewell, N.M, Tuchman, M, Shi, D. | | Deposit date: | 2013-05-30 | | Release date: | 2014-04-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of N-acetyl-L-glutamate synthase/kinase from Maricaulis maris with the allosteric inhibitor L-arginine bound.
Biochem.Biophys.Res.Commun., 437, 2013
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4L1B
 | | Crystal Structure of p110alpha complexed with niSH2 of p85alpha | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION | | Authors: | Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F. | | Deposit date: | 2013-06-03 | | Release date: | 2014-01-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.586 Å) | | Cite: | Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
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4L9W
 | | Crystal Structure of H-Ras G12C, GMPPNP-bound | | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | | Deposit date: | 2013-06-18 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.952 Å) | | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
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4LBW
 | | Identifying ligand binding hot spots in proteins using brominated fragments | | Descriptor: | AMMONIUM ION, Elongation factor Tu-A, MAGNESIUM ION, ... | | Authors: | Groftehauge, M.K, Therkelsen, M, Taaning, R, Skrydstrup, T, Morth, J.P, Nissen, P. | | Deposit date: | 2013-06-21 | | Release date: | 2013-09-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.741 Å) | | Cite: | Identifying ligand-binding hot spots in proteins using brominated fragments.
Acta Crystallogr.,Sect.F, 69, 2013
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4LGO
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