4O8J
 
 | | Crystal structure of RtcA, the RNA 3'-terminal phosphate cyclase from Pyrococcus horikoshii, in complex with rACAAA3'phosphate and adenine. | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE, RNA, ... | | Authors: | Desai, K.K, Bingman, C.A, Phillips Jr, G.N, Raines, R.T. | | Deposit date: | 2013-12-27 | | Release date: | 2014-09-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structure of RNA 3'-phosphate cyclase bound to substrate RNA.
Rna, 20, 2014
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3OTP
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4KTD
 | | Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE136, from non-human primate | | Descriptor: | GE136 Heavy Chain Fab, GE136 Light Chain Fab, GLYCEROL, ... | | Authors: | Poulsen, C, Tran, K, Standfield, R, Wyatt, R.T. | | Deposit date: | 2013-05-20 | | Release date: | 2014-02-05 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Vaccine-elicited primate antibodies use a distinct approach to the HIV-1 primary receptor binding site informing vaccine redesign.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4KPE
 | | Novel fluoroquinolones in complex with topoisomerase IV from S. pneumoniae and E-site G-gate | | Descriptor: | (7aR,8R)-8-amino-4-cyclopropyl-12-fluoro-1-oxo-4,7,7a,8,9,10-hexahydro-1H-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylic acid, DNA topoisomerase 4 subunit A, DNA topoisomerase 4 subunit B, ... | | Authors: | Laponogov, I, Pan, X.-S, Vesekov, D.A, Cirz, R.T, Wagman, A.S, Moser, H.E, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2013-05-13 | | Release date: | 2014-11-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.43 Å) | | Cite: | Exploring the active site of the Streptococcus pneumoniae topoisomerase IV-DNA cleavage complex with novel 7,8-bridged fluoroquinolones.
Open Biol, 6, 2016
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4L81
 | | Structure of the SAM-I/IV riboswitch (env87(deltaU92, deltaG93)) | | Descriptor: | COBALT HEXAMMINE(III), MAGNESIUM ION, S-ADENOSYLMETHIONINE, ... | | Authors: | Trausch, J.J, Reyes, F.E, Edwards, A.L, Batey, R.T. | | Deposit date: | 2013-06-15 | | Release date: | 2014-05-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural basis for diversity in the SAM clan of riboswitches.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4I4L
 | | Crystal Structure of Nucleotide-Bound W-W-W ClpX Hexamer | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpX, SULFATE ION | | Authors: | Glynn, S.E, Nager, A.R, Stinson, B.S, Schmitz, K.R, Baker, T.A, Sauer, R.T. | | Deposit date: | 2012-11-27 | | Release date: | 2013-05-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.6981 Å) | | Cite: | Nucleotide Binding and Conformational Switching in the Hexameric Ring of a AAA+ Machine.
Cell(Cambridge,Mass.), 153, 2013
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4I81
 | | Crystal Structure of ATPgS bound ClpX Hexamer | | Descriptor: | ATP-dependent Clp protease ATP-binding subunit ClpX, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SULFATE ION | | Authors: | Glynn, S.E, Nager, A.R, Stinson, B.S, Schmitz, K.R, Baker, T.A, Sauer, R.T. | | Deposit date: | 2012-12-01 | | Release date: | 2013-05-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.8182 Å) | | Cite: | Nucleotide Binding and Conformational Switching in the Hexameric Ring of a AAA+ Machine.
Cell(Cambridge,Mass.), 153, 2013
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3QTL
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4LFD
 | | Staphylococcus aureus sortase B-substrate complex | | Descriptor: | (CBZ)NPQ(B27) PEPTIDE, SULFATE ION, Sortase B | | Authors: | Jacobitz, A.W, Sawaya, M.R, Yi, S.W, Amer, B.R, Huang, G.L, Nguyen, A.V, Jung, M.E, Clubb, R.T. | | Deposit date: | 2013-06-26 | | Release date: | 2014-02-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structural and Computational Studies of the Staphylococcus aureus Sortase B-Substrate Complex Reveal a Substrate-stabilized Oxyanion Hole.
J.Biol.Chem., 289, 2014
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4KT8
 | | The complex structure of Rv3378c-Y51FY90F with substrate, TPP | | Descriptor: | (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Diterpene synthase, PHOSPHATE ION | | Authors: | Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T. | | Deposit date: | 2013-05-20 | | Release date: | 2014-02-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
J.Am.Chem.Soc., 136, 2014
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4G34
 | | Crystal Structure of GSK6924 Bound to PERK (R587-R1092, delete A660-T867) at 2.70 A Resolution | | Descriptor: | 1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]-2-phenylethanone, Eukaryotic translation initiation factor 2-alpha kinase 3 | | Authors: | Gampe, R.T, Axten, J.M. | | Deposit date: | 2012-07-13 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of 7-Methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of Protein Kinase R (PKR)-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 55, 2012
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3O2H
 | | E. coli ClpS in complex with a Leu N-end rule peptide | | Descriptor: | ATP-dependent Clp protease adaptor protein ClpS, DNA protection during starvation protein | | Authors: | Roman-Hernandez, G, Grant, R.A, Sauer, R.T, Baker, T.A, de Regt, A. | | Deposit date: | 2010-07-22 | | Release date: | 2011-12-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The ClpS adaptor mediates staged delivery of N-end rule substrates to the AAA+ ClpAP protease.
Mol.Cell, 43, 2011
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3O2O
 | | Structure of E. coli ClpS ring complex | | Descriptor: | ATP-dependent Clp protease adaptor protein ClpS | | Authors: | Roman-Hernandez, G, Grant, R.A, Sauer, R.T, Baker, T.A, de Regt, A. | | Deposit date: | 2010-07-22 | | Release date: | 2011-12-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The ClpS adaptor mediates staged delivery of N-end rule substrates to the AAA+ ClpAP protease.
Mol.Cell, 43, 2011
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4OQU
 | | Structure of the SAM-I/IV riboswitch (env87(deltaU92)) | | Descriptor: | MAGNESIUM ION, S-ADENOSYLMETHIONINE, SAM-I/IV riboswitch | | Authors: | Trausch, J.J, Reyes, F.E, Edwards, A.L, Batey, R.T. | | Deposit date: | 2014-02-10 | | Release date: | 2014-06-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for diversity in the SAM clan of riboswitches.
Proc.Natl.Acad.Sci.USA, 111, 2014
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3NPN
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4G31
 | | Crystal Structure of GSK6414 Bound to PERK (R587-R1092, delete A660-T867) at 2.28 A Resolution | | Descriptor: | 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL | | Authors: | Gampe, R.T, Axten, J.M. | | Deposit date: | 2012-07-13 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Discovery of 7-Methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of Protein Kinase R (PKR)-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 55, 2012
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4O89
 | | Crystal structure of RtcA, the RNA 3'-terminal phosphate cyclase from Pyrococcus horikoshii. | | Descriptor: | CITRIC ACID, RNA 3'-terminal phosphate cyclase | | Authors: | Desai, K.K, Bingman, C.A, Phillips Jr, G.N, Raines, R.T. | | Deposit date: | 2013-12-26 | | Release date: | 2014-09-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of RNA 3'-phosphate cyclase bound to substrate RNA.
Rna, 20, 2014
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4FRN
 | | Crystal structure of the cobalamin riboswitch regulatory element | | Descriptor: | BARIUM ION, Cobalamin riboswitch aptamer domain, Hydroxocobalamin | | Authors: | Reyes, F.E, Johnson, J.E, Polaski, J.T, Batey, R.T. | | Deposit date: | 2012-06-26 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.43 Å) | | Cite: | B12 cofactors directly stabilize an mRNA regulatory switch.
Nature, 492, 2012
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4KPF
 | | Novel fluoroquinolones in complex with topoisomerase IV from S. pneumoniae and E-site G-gate | | Descriptor: | (3aS,4R)-4-amino-13-cyclopropyl-8-fluoro-10-oxo-3a,4,5,6,10,13-hexahydro-1H,3H-pyrrolo[2',1':3,4][1,4]oxazepino[5,6-h]quinoline-11-carboxylic acid, E-site1, E-site2, ... | | Authors: | Laponogov, I, Pan, X.-S, Vesekov, D.A, Cirz, R.T, Wagman, A.S, Moser, H.E, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2013-05-13 | | Release date: | 2014-11-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | Exploring the active site of the Streptococcus pneumoniae topoisomerase IV-DNA cleavage complex with novel 7,8-bridged fluoroquinolones.
Open Biol, 6, 2016
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4FRG
 | | Crystal structure of the cobalamin riboswitch aptamer domain | | Descriptor: | Hydroxocobalamin, IRIDIUM (III) ION, MAGNESIUM ION, ... | | Authors: | Reyes, F.E, Johnson, J.E, Polaski, J.T, Batey, R.T. | | Deposit date: | 2012-06-26 | | Release date: | 2012-10-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | B12 cofactors directly stabilize an mRNA regulatory switch.
Nature, 492, 2012
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4OJR
 | | Crystal Structure of the HIV-1 Integrase catalytic domain with GSK1264 | | Descriptor: | (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid, CACODYLATE ION, HIV-1 Integrase, ... | | Authors: | Gupta, K, Brady, T, Dyer, B, Hwang, Y, Male, F, Nolte, R.T, Wang, L, Velthuisen, E, Jeffrey, J, Van Duyne, G, Bushman, F.D. | | Deposit date: | 2014-01-21 | | Release date: | 2014-06-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Allosteric Inhibition of Human Immunodeficiency Virus Integrase: LATE BLOCK DURING VIRAL REPLICATION AND ABNORMAL MULTIMERIZATION INVOLVING SPECIFIC PROTEIN DOMAINS.
J.Biol.Chem., 289, 2014
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4LE4
 | | Crystal structure of PaGluc131A with cellotriose | | Descriptor: | Beta-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Jiang, T, Chan, H.C, Huang, C.H, Ko, T.P, Huang, T.Y, Liu, J.R, Guo, R.T. | | Deposit date: | 2013-06-25 | | Release date: | 2013-09-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structures of a GH131 beta-Glucanase Catalytic Domain from Podospora anserina in Complex with Cellotriose
To be Published
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3RSP
 | | STRUCTURE OF THE P93G VARIANT OF RIBONUCLEASE A | | Descriptor: | CHLORIDE ION, RIBONUCLEASE A | | Authors: | Schultz, L.W, Hargraves, S.R, Klink, T.A, Raines, R.T. | | Deposit date: | 1997-10-20 | | Release date: | 1998-04-22 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and stability of the P93G variant of ribonuclease A.
Protein Sci., 7, 1998
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4LE3
 | | Crystal structure of a GH131 beta-glucanase catalytic domain from Podospora anserina | | Descriptor: | Beta-glucanase | | Authors: | Jiang, T, Chan, H.C, Huang, C.H, Ko, T.P, Huang, T.Y, Liu, J.R, Guo, R.T. | | Deposit date: | 2013-06-25 | | Release date: | 2013-09-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of a GH131 beta-Glucanase Catalytic Domain from Podospora anserina in Complex with Cellotriose
To be Published
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4MYP
 | | Structure of the central NEAT domain, N2, of the listerial Hbp2 protein complexed with heme | | Descriptor: | GLYCEROL, Iron-regulated surface determinant protein A, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Malmirchegini, G.R, Sawaya, M.R, Clubb, R.T. | | Deposit date: | 2013-09-27 | | Release date: | 2014-10-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Novel Mechanism of Hemin Capture by Hbp2, the Hemoglobin-binding Hemophore from Listeria monocytogenes.
J.Biol.Chem., 289, 2014
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