4U4B
 
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4UAP
 | | X-ray structure of GH31 CBM32-2 bound to GalNAc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, GLYCEROL, ... | | Authors: | Grondin, J.M, Abe, K, Boraston, A.B, Smith, S.P. | | Deposit date: | 2014-08-11 | | Release date: | 2015-10-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens.
PLoS ONE, 12, 2017
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4UCU
 | | Fragment bound to H.influenza NAD dependent DNA ligase | | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxyquinoline-2-carboxylic acid, DNA LIGASE | | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | | Deposit date: | 2014-12-04 | | Release date: | 2015-10-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
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4TY0
 | | Crystal structure of Vibrio cholerae DncV cyclic AMP-GMP synthase in complex with linear intermediate 5' pppA(3',5')pG | | Descriptor: | ACETATE ION, Cyclic AMP-GMP synthase, MAGNESIUM ION, ... | | Authors: | Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A. | | Deposit date: | 2014-07-07 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity.
Cell, 158, 2014
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8RQH
 | | Crystal Structure of the flavoprotein monooxygenase TrlE from Streptomyces cyaneofuscatus Soc7 | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Sowa, S.T, Hoeing, L.S, Jakob, R.P, Maier, T, Teufel, R. | | Deposit date: | 2024-01-18 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Biosynthesis of the bacterial antibiotic 3,7-dihydroxytropolone through enzymatic salvaging of catabolic shunt products.
Chem Sci, 15, 2024
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4TV3
 | | Isolated p110a subunit of PI3Ka provides a platform for structure-based drug design | | Descriptor: | 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Chen, P, Deng, Y.-L, Bergqvist, S, Falk, M, Liu, W, Timofeevski, S. | | Deposit date: | 2014-06-25 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Engineering of an isolated p110 alpha subunit of PI3K alpha permits crystallization and provides a platform for structure-based drug design.
Protein Sci., 23, 2014
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4TX8
 | | Crystal Structure of a Family GH18 Chitinase from Chromobacterium violaceum | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CITRATE ANION, ... | | Authors: | Pereira, H.M, Lobo, M.D.P, Brandao-Neto, J, Grangeiro, T.B. | | Deposit date: | 2014-07-02 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Crystal Structure of a Family GH18 Chitinase from Chromobacterium violaceum
To Be Published
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4TXZ
 | | Crystal structure of Vibrio cholerae DncV cyclic AMP-GMP synthase in complex with nonhydrolyzable GTP | | Descriptor: | Cyclic AMP-GMP synthase, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | | Authors: | Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A. | | Deposit date: | 2014-07-07 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity.
Cell, 158, 2014
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2Y3L
 | | Structure of segment MVGGVVIA from the amyloid-beta peptide (Ab, residues 35-42), alternate polymorph 2 | | Descriptor: | AMYLOID BETA A4 PROTEIN | | Authors: | Colletier, J.P, Laganowsky, A, Sawaya, M.R, Eisenberg, D. | | Deposit date: | 2010-12-21 | | Release date: | 2011-11-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular Basis for Amyloid-{Beta} Polymorphism.
Proc.Natl.Acad.Sci.USA, 108, 2011
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4U3A
 | | Crystal structure of CtCel5E | | Descriptor: | Endoglucanase H | | Authors: | Yuan, S.F, Liang, P.H, Ho, M.C. | | Deposit date: | 2014-07-19 | | Release date: | 2015-01-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Biochemical Characterization and Structural Analysis of a Bifunctional Cellulase/Xylanase from Clostridium thermocellum
J.Biol.Chem., 290, 2015
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4TZT
 | | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS ENOYL REDUCTASE (INHA) COMPLEXED WITH N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL- 5-OXOPYRROLIDINE-3-CARBOXAMIDE | | Descriptor: | (3S)-N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | | Deposit date: | 2014-07-10 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis
J. Med. Chem., 2006
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4U45
 | | MAP4K4 in complex with inhibitor (compound 25) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(1H-pyrazol-4-yl)-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, MAGNESIUM ION, ... | | Authors: | Harris, S.F, Wu, P, Coons, M. | | Deposit date: | 2014-07-23 | | Release date: | 2014-09-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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2Y3K
 | | Structure of segment MVGGVVIA from the amyloid-beta peptide (Ab, residues 35-42), alternate polymorph 1 | | Descriptor: | AMYLOID BETA A4 PROTEIN | | Authors: | Colletier, J.P, Laganowsky, A, Sawaya, M.R, Eisenberg, D. | | Deposit date: | 2010-12-21 | | Release date: | 2011-11-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular Basis for Amyloid-{Beta} Polymorphism.
Proc.Natl.Acad.Sci.USA, 108, 2011
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4U13
 | | Crystal structure of putative polyketide cyclase (protein SMa1630) from Sinorhizobium meliloti at 2.3 A resolution | | Descriptor: | putative polyketide cyclase SMa1630 | | Authors: | Shabalin, I.G, Bacal, P, Osinski, T, Cooper, D.R, Szlachta, K, Stead, M, Grabowski, M, Hammonds, J, Ahmed, M, Hillerich, B.S, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2014-07-14 | | Release date: | 2014-09-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of a putative polyketide cyclase (protein SMa1630) from Sinorhizobium meliloti at 2.3 A resolution
to be published
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2Y3J
 | | Structure of segment AIIGLM from the amyloid-beta peptide (Ab, residues 30-35) | | Descriptor: | AMYLOID BETA A4 PROTEIN | | Authors: | Colletier, J.P, Laganowsky, A, Sawaya, M.R, Eisenberg, D. | | Deposit date: | 2010-12-21 | | Release date: | 2011-11-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Molecular Basis for Amyloid-{Beta} Polymorphism.
Proc.Natl.Acad.Sci.USA, 108, 2011
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4U3G
 | | Crystal structure of Escherichia coli bacterioferritin mutant D132F | | Descriptor: | Bacterioferritin, SULFATE ION | | Authors: | Wong, S.G, Grigg, J.C, Le Brun, N.E, Moore, G.R, Murphy, M.E.P, Mauk, A.G. | | Deposit date: | 2014-07-21 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The B-type Channel Is a Major Route for Iron Entry into the Ferroxidase Center and Central Cavity of Bacterioferritin.
J.Biol.Chem., 290, 2015
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4UCM
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4UNE
 | | Human insulin B26Phe mutant crystal structure | | Descriptor: | INSULIN A CHAIN, INSULIN B CHAIN, SULFATE ION | | Authors: | Zakova, L, Klevtikova, E, Lepsik, M, Collinsova, M, Watson, C.J, Turkenburg, J.P, Jiracek, J, Brzozowski, A.M. | | Deposit date: | 2014-05-28 | | Release date: | 2014-10-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Human Insulin Analogues Modified at the B26 Site Reveal a Hormone Conformation that is Undetected in the Receptor Complex
Acta Crystallogr.,Sect.D, 70, 2014
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4UBG
 | | Resting state of rat cysteine dioxygenase C93G variant | | Descriptor: | Cysteine dioxygenase type 1, FE (II) ION, SODIUM ION | | Authors: | Fellner, M, Tchesnokov, E.P, Jameson, G.N, Wilbanks, S.M. | | Deposit date: | 2014-08-13 | | Release date: | 2014-11-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Cys-Tyr Cross-Link of Cysteine Dioxygenase Changes the Optimal pH of the Reaction without a Structural Change.
Biochemistry, 53, 2014
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4ULL
 | | SOLUTION NMR STRUCTURE OF VEROTOXIN-1 B-SUBUNIT FROM E. COLI, 5 STRUCTURES | | Descriptor: | Shiga toxin 1B | | Authors: | Richardson, J.M, Evans, P.D, Homans, S.W, Donohue-Rolfe, A. | | Deposit date: | 1996-12-17 | | Release date: | 1997-04-01 | | Last modified: | 2019-12-11 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the carbohydrate-binding B-subunit homopentamer of verotoxin VT-1 from E. coli.
Nat.Struct.Biol., 4, 1997
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4UHS
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4UFP
 | | Laboratory evolved variant R-C1B1D33 of potato epoxide hydrolase StEH1 | | Descriptor: | EPOXIDE HYDROLASE | | Authors: | Carlsson, A.J, Bauer, P, Nilsson, M, Dobritzsch, D, Kamerlin, S.C.L, Widersten, M. | | Deposit date: | 2015-03-17 | | Release date: | 2016-04-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Laboratory Evolved Enzymes Provide Snapshots of the Development of Enantioconvergence in Enzyme-Catalyzed Epoxide Hydrolysis.
Chembiochem, 17, 2016
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8F9S
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8F95
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4UCT
 | | Fragment bound to H.influenza NAD dependent DNA ligase | | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-amino-6-methyl-5-(propan-2-yloxy)-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, DNA LIGASE | | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | | Deposit date: | 2014-12-04 | | Release date: | 2015-10-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
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