4RNX
 
 | | K154 Circular Permutation of Old Yellow Enzyme | | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, NADPH dehydrogenase 1 | | Authors: | Horton, J.R, Daugherty, A.B, Cheng, X, Lutz, S. | | Deposit date: | 2014-10-26 | | Release date: | 2015-01-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | STRUCTURAL AND FUNCTIONAL CONSEQUENCES OF CIRCULAR PERMUTATION ON THE ACTIVE SITE OF OLD YELLOW ENZYME.
ACS Catal, 5, 2015
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4N07
 | | Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and BPAM-344 at 1.87 A resolution | | Descriptor: | 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, CACODYLATE ION, ... | | Authors: | Noerholm, A.B, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2013-10-01 | | Release date: | 2013-11-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Synthesis, pharmacological and structural characterization, and thermodynamic aspects of GluA2-positive allosteric modulators with a 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide scaffold.
J.Med.Chem., 56, 2013
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4OQM
 | | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with F-ARA-EdU | | Descriptor: | 1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, Thymidine kinase | | Authors: | Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N, Scapozza, L. | | Deposit date: | 2014-02-10 | | Release date: | 2014-08-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with F-ARA-EdU
To be Published
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4OTA
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4RNV
 | | G303 Circular Permutation of Old Yellow Enzyme with the Inhibitor p-Hydroxybenzaldehyde | | Descriptor: | FLAVIN MONONUCLEOTIDE, NADPH dehydrogenase 1, P-HYDROXYBENZALDEHYDE | | Authors: | Horton, J.R, Daugherty, A.B, Cheng, X, Lutz, S. | | Deposit date: | 2014-10-26 | | Release date: | 2015-01-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.473 Å) | | Cite: | STRUCTURAL AND FUNCTIONAL CONSEQUENCES OF CIRCULAR PERMUTATION ON THE ACTIVE SITE OF OLD YELLOW ENZYME.
ACS Catal, 5, 2015
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4TXW
 | | Crystal structure of CBM32-4 from the Clostridium perfringens NagH | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Hyaluronoglucosaminidase | | Authors: | Grondin, J.M, Ficko-Blean, E, Boraston, A.B, Smith, S.P. | | Deposit date: | 2014-07-07 | | Release date: | 2015-12-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Solution Structure and Dynamics of Full-length GH84A, a multimodular B-N-acetylglucosaminidase from Clostridium perfringens
To Be Published
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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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4RNU
 | | G303 Circular Permutation of Old Yellow Enzyme | | Descriptor: | FLAVIN MONONUCLEOTIDE, NADPH dehydrogenase 1, PHOSPHATE ION | | Authors: | Horton, J.R, Daugherty, A.B, Cheng, X, Lutz, S. | | Deposit date: | 2014-10-26 | | Release date: | 2015-01-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.677 Å) | | Cite: | STRUCTURAL AND FUNCTIONAL CONSEQUENCES OF CIRCULAR PERMUTATION ON THE ACTIVE SITE OF OLD YELLOW ENZYME.
ACS Catal, 5, 2015
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4RP6
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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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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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4UCV
 | | Fragment bound to H.influenza NAD dependent DNA ligase | | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-methoxy-2,3-dimethylquinoxalin-5-ol, 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 (2.6 Å) | | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
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4OQN
 | | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with EdU | | Descriptor: | 2'-deoxy-5-ethynyluridine, SULFATE ION, Thymidine kinase | | Authors: | Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N.W, Scapozza, L. | | Deposit date: | 2014-02-10 | | Release date: | 2014-08-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with EdU
To be Published
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4OQX
 | | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with Me-ARA-EdU | | Descriptor: | 1-(2-deoxy-2-methyl-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, Thymidine kinase | | Authors: | Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N, Scapozza, L. | | Deposit date: | 2014-02-10 | | Release date: | 2014-08-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of HSV1-TK complexed with Me-ARA-EdU
To be Published
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1SZP
 | | A Crystal Structure of the Rad51 Filament | | Descriptor: | DNA repair protein RAD51, SULFATE ION | | Authors: | Conway, A.B, Lynch, T.W, Zhang, Y, Fortin, G.S, Symington, L.S, Rice, P.A. | | Deposit date: | 2004-04-06 | | Release date: | 2004-07-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Crystal structure of a Rad51 filament.
Nat.Struct.Mol.Biol., 11, 2004
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1SI1
 | | Crystal Structure of Mannheimia haemolytica Ferric iron-Binding Protein A in an open conformation | | Descriptor: | FE (III) ION, iron binding protein FbpA | | Authors: | Shouldice, S.R, Skene, R.J, Dougan, D.R, Snell, G, McRee, D.E, Schryvers, A.B, Tari, L.W. | | Deposit date: | 2004-02-26 | | Release date: | 2004-06-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural basis for iron binding and release by a novel class of periplasmic iron-binding proteins found in gram-negative pathogens.
J.Bacteriol., 186, 2004
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1SEU
 | | Human DNA Topoisomerase I (70 Kda) In Complex With The Indolocarbazole SA315F and Covalent Complex With A 22 Base Pair DNA Duplex | | Descriptor: | 2,10-DIHYDROXY-12-(BETA-D-GLUCOPYRANOSYL)-6,7,12,13-TETRAHYDROINDOLO[2,3-A]PYRROLO[3,4-C]CARBAZOLE-5,7-DIONE, 5'-D(*(TGP)P*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T)-3', ... | | Authors: | Staker, B.L, Feese, M.D, Cushman, M, Pommier, Y, Zembower, D, Stewart, L, Burgin, A.B. | | Deposit date: | 2004-02-18 | | Release date: | 2005-04-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of three classes of anticancer agents bound to the human topoisomerase I-DNA covalent complex
J.Med.Chem., 48, 2005
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1UB5
 | | Crystal structure of Antibody 19G2 with hapten at 100K | | Descriptor: | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID, antibody 19G2, alpha chain, ... | | Authors: | Beuscher, A.B, Wirsching, P, Lerner, R.A, Janda, K, Stevens, R.C. | | Deposit date: | 2003-03-30 | | Release date: | 2004-04-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and Dynamics of Blue Fluorescent Antibody 19G2 at Blue and Violet Fluorescent Temperatures
To be published
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1RDT
 | | Crystal Structure of a new rexinoid bound to the RXRalpha ligand binding doamin in the RXRalpha/PPARgamma heterodimer | | Descriptor: | (S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO-1-BENZOFURAN-2-YL]-2-PROPENOIC ACID, 2-(2-BENZOYL-PHENYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID, LxxLL motif coactivator, ... | | Authors: | Haffner, C.D, Lenhard, J.M, Miller, A.B, McDougald, D.L, Dwornik, K, Ittoop, O.R, Gampe Jr, R.T, Xu, H.E, Blanchard, S, Montana, V.G. | | Deposit date: | 2003-11-06 | | Release date: | 2004-11-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based design of potent retinoid X receptor alpha agonists.
J.Med.Chem., 47, 2004
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4Z6A
 | | Crystal Structure of a FVIIa-Trypsin Chimera (YT) in Complex with Soluble Tissue Factor | | Descriptor: | CALCIUM ION, CITRIC ACID, Coagulation factor VII, ... | | Authors: | Sorensen, A.B, Svensson, L.A, Gandhi, P.S. | | Deposit date: | 2015-04-04 | | Release date: | 2015-12-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Molecular Basis of Enhanced Activity in Factor VIIa-Trypsin Variants Conveys Insights into Tissue Factor-mediated Allosteric Regulation of Factor VIIa Activity.
J.Biol.Chem., 291, 2016
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4ZMA
 | | Crystal Structure of a FVIIa-Trypsin Chimera (ST) in Complex with Soluble Tissue Factor | | Descriptor: | CACODYLATE ION, CALCIUM ION, Coagulation factor VII, ... | | Authors: | Sorensen, A.B, Svensson, L.A, Gandhi, P.S. | | Deposit date: | 2015-05-02 | | Release date: | 2015-12-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular Basis of Enhanced Activity in Factor VIIa-Trypsin Variants Conveys Insights into Tissue Factor-mediated Allosteric Regulation of Factor VIIa Activity.
J.Biol.Chem., 291, 2016
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1T66
 | | The structure of FAB with intermediate affinity for fluorescein. | | Descriptor: | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, immunoglobulin heavy chain, immunoglobulin light chain | | Authors: | Terzyan, S, Ramsland, P.A, Voss Jr, E.W, Herron, J.N, Edmundson, A.B. | | Deposit date: | 2004-05-05 | | Release date: | 2004-05-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Three-dimensional Structures of Idiotypically Related Fabs with Intermediate and High Affinity for Fluorescein.
J.Mol.Biol., 339, 2004
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4Z7M
 | | Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad-Spectrum Biochemical Activity | | Descriptor: | MANGANESE (II) ION, Methionine aminopeptidase, N~2~-[(3,5-difluorophenyl)acetyl]-N-[(3S,7R)-1-methyl-2-oxo-7-phenyl-2,3,4,7-tetrahydro-1H-azepin-3-yl]-L-alaninamide | | Authors: | Rose, J.A, Lahiri, S.D, McKinney, D.C, Albert, R, Morningstar, M, Shapiro, A.B, Fisher, S.F, Fleming, P.R. | | Deposit date: | 2015-04-07 | | Release date: | 2016-04-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad-Spectrum Biochemical Activity
To be Published
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1TTK
 | | NMR solution structure of omega-conotoxin MVIIA, a N-type calcium channel blocker | | Descriptor: | Omega-conotoxin MVIIa | | Authors: | Adams, D.J, Smith, A.B, Schroeder, C.I, Yasuda, T, Lewis, R.J. | | Deposit date: | 2004-06-22 | | Release date: | 2004-07-06 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | omega-conotoxin CVID inhibits a pharmacologically distinct voltage-sensitive calcium channel associated with transmitter release from preganglionic nerve terminals
J.Biol.Chem., 278, 2003
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5A55
 | | The native structure of GH101 from Streptococcus pneumoniae TIGR4 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, ENDO-ALPHA-N-ACETYLGALACTOSAMINIDASE, ... | | Authors: | Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2015-06-16 | | Release date: | 2015-09-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
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