6PVW
 
 | | RNase A in complex with cp4pA | | Descriptor: | 2,4,6,8-tetrahydroxy-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocane-2,4,6,8-tetrone, 5'-O-[(R)-hydroxy{[(4R,8S)-4,6,8-trihydroxy-2,4,6,8-tetraoxo-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocan-2-yl]oxy}phosphoryl]adenosine, Ribonuclease pancreatic | | Authors: | Windsor, I.W, Sheppard, S.M, Cummins, C.C, Raines, R.T. | | Deposit date: | 2019-07-21 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Nucleoside Tetra- and Pentaphosphates Prepared Using a Tetraphosphorylation Reagent Are Potent Inhibitors of Ribonuclease A.
J.Am.Chem.Soc., 141, 2019
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4J3B
 | | A naturally variable residue in the S1 subsite of M1-family aminopeptidases modulates catalytic properties and promotes functional specialization | | Descriptor: | ARGININE, M1 family aminopeptidase, MAGNESIUM ION, ... | | Authors: | Dalal, S, Ragheb, D.R.T, Schubot, F.D, Klemba, M. | | Deposit date: | 2013-02-05 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A naturally variable residue in the s1 subsite of m1 family aminopeptidases modulates catalytic properties and promotes functional specialization.
J.Biol.Chem., 288, 2013
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4ISZ
 | | RNA ligase RtcB in complex with GTP alphaS and Mn(II) | | Descriptor: | GUANOSINE-5'-RP-ALPHA-THIO-TRIPHOSPHATE, MANGANESE (II) ION, SULFATE ION, ... | | Authors: | Desai, K.K, Bingman, C.A, Phillips Jr, G.N, Raines, R.T. | | Deposit date: | 2013-01-17 | | Release date: | 2013-04-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.303 Å) | | Cite: | Structures of the Noncanonical RNA Ligase RtcB Reveal the Mechanism of Histidine Guanylylation.
Biochemistry, 52, 2013
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6PVX
 | | RNase A in complex with p5U | | Descriptor: | 5'-O-[(R)-hydroxy{[(S)-hydroxy{[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]uridine, Ribonuclease pancreatic | | Authors: | Windsor, I.W, Sheppard, S.M, Cummins, C.C, Raines, R.T. | | Deposit date: | 2019-07-21 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Nucleoside Tetra- and Pentaphosphates Prepared Using a Tetraphosphorylation Reagent Are Potent Inhibitors of Ribonuclease A.
J.Am.Chem.Soc., 141, 2019
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6PVV
 | | RNase A in complex with p5A | | Descriptor: | ADENOSINE-5'-PENTAPHOSPHATE, Ribonuclease pancreatic | | Authors: | Windsor, I.W, Sheppard, S.M, Cummins, C.C, Raines, R.T. | | Deposit date: | 2019-07-21 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Nucleoside Tetra- and Pentaphosphates Prepared Using a Tetraphosphorylation Reagent Are Potent Inhibitors of Ribonuclease A.
J.Am.Chem.Soc., 141, 2019
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6PXK
 | | 3.65 Angstroms resolution structure of HslU with an axial-channel plug | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU, SULFATE ION, ... | | Authors: | Baytshtok, V, Grant, R.A, Sauer, R.T. | | Deposit date: | 2019-07-26 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.647 Å) | | Cite: | Heat activates the AAA+ HslUV protease by melting an axial autoinhibitory plug.
Cell Rep, 34, 2021
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6PXL
 | | 3.74 Angstroms resolution structure of HlsU with an axial-channel plug | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU, MAGNESIUM ION, ... | | Authors: | Baytshtok, V, Grant, R.A, Sauer, R.T. | | Deposit date: | 2019-07-26 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.741 Å) | | Cite: | Heat activates the AAA+ HslUV protease by melting an axial autoinhibitory plug.
Cell Rep, 34, 2021
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4GMA
 | | Crystal structure of the adenosylcobalamin riboswitch | | Descriptor: | Adenosylcobalamin, Adenosylcobalamin riboswitch | | Authors: | Reyes, F.E, Johnson, J.E, Polaski, J.T, Batey, R.T. | | Deposit date: | 2012-08-15 | | Release date: | 2012-10-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.94 Å) | | Cite: | B12 cofactors directly stabilize an mRNA regulatory switch.
Nature, 492, 2012
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3OTP
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4IXL
 | | Crystal structure of endo-beta-1,4-xylanase from the alkaliphilic Bacillus sp. SN5 | | Descriptor: | SULFATE ION, xylanase | | Authors: | Bai, W.Q, Xue, Y.F, Huang, J.X, Zhou, C, Guo, R.T, Ma, Y.H. | | Deposit date: | 2013-01-26 | | Release date: | 2014-02-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structure Analysis of Alkaline xylanase from Alkaliphilic Bacillus sp. SN5 Implications for pH-dependent enzyme activity
To be Published
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4I34
 | | Crystal Structure of W-W-W ClpX Hexamer | | Descriptor: | 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: | 2012-11-23 | | Release date: | 2013-05-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (4.1218 Å) | | Cite: | Nucleotide Binding and Conformational Switching in the Hexameric Ring of a AAA+ Machine.
Cell(Cambridge,Mass.), 153, 2013
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3OU0
 | | re-refined 3CS0 | | Descriptor: | Periplasmic serine endoprotease DegP, heptapeptide, pentapeptide | | Authors: | Sauer, R.T, Grant, R.A, Kim, S. | | Deposit date: | 2010-09-14 | | Release date: | 2011-01-19 | | Last modified: | 2012-02-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Covalent Linkage of Distinct Substrate Degrons Controls Assembly and Disassembly of DegP Proteolytic Cages.
Cell(Cambridge,Mass.), 145, 2011
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3OF8
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4IWN
 | | Crystal structure of a putative methyltransferase CmoA in complex with a novel SAM derivative | | Descriptor: | (2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio] -2-ammoniobutanoate, (4S)-2-METHYL-2,4-PENTANEDIOL, tRNA (cmo5U34)-methyltransferase | | Authors: | Aller, P, Lobley, C.M, Byrne, R.T, Antson, A.A, Waterman, D.G. | | Deposit date: | 2013-01-24 | | Release date: | 2013-05-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | S-Adenosyl-S-carboxymethyl-L-homocysteine: a novel cofactor found in the putative tRNA-modifying enzyme CmoA.
Acta Crystallogr.,Sect.D, 69, 2013
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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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3OF9
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5HC7
 | | Crystal structure of lavandulyl diphosphate synthase from Lavandula x intermedia in complex with S-thiolo-isopentenyldiphosphate | | Descriptor: | DIMETHYLALLYL S-THIOLODIPHOSPHATE, MAGNESIUM ION, prenyltransference for protein | | Authors: | Liu, M.X, Liu, W.D, Gao, J, Zheng, Y.Y, Chen, C.C, Guo, R.T. | | Deposit date: | 2016-01-04 | | Release date: | 2016-03-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure and Function of a "Head-to-Middle" Prenyltransferase: Lavandulyl Diphosphate Synthase
Angew.Chem.Int.Ed.Engl., 55, 2016
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5HC8
 | | Crystal structure of lavandulyl diphosphate synthase from Lavandula x intermedia in complex with dimethylallyl diphosphate | | Descriptor: | 2-methylbuta-1,3-diene, 3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid, MAGNESIUM ION, ... | | Authors: | Liu, M.X, Liu, W.D, Gao, J, Zheng, Y.Y, Chen, C.C, Guo, R.T. | | Deposit date: | 2016-01-04 | | Release date: | 2016-03-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structure and Function of a "Head-to-Middle" Prenyltransferase: Lavandulyl Diphosphate Synthase
Angew.Chem.Int.Ed.Engl., 55, 2016
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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: | 2018-10-03 | | 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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5H9D
 | | Crystal structure of Heptaprenyl Diphosphate Synthase from Staphylococcus aureus | | Descriptor: | C-terminal peptide from Heptaprenyl diphosphate synthase (HEPPP synthase) subunit 1 family protein, Farnesyl pyrophosphate synthetase, Heptaprenyl diphosphate synthase (HEPPP synthase) subunit 1 family protein, ... | | Authors: | Wei, H.L, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T. | | Deposit date: | 2015-12-28 | | Release date: | 2016-12-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Structure, Function, and Inhibition of Staphylococcus aureus Heptaprenyl Diphosphate Synthase
ChemMedChem, 11, 2016
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6IJ1
 | | Crystal structure of a protein from Actinoplanes | | Descriptor: | ACETATE ION, IMIDAZOLE, Prenylcyclase | | Authors: | Yang, Z.Z, Zhang, L.L, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-10-08 | | Release date: | 2019-09-11 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.521 Å) | | Cite: | Crystal structure of TchmY from Actinoplanes teichomyceticus.
Acta Crystallogr.,Sect.F, 75, 2019
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5HRR
 | | HIV Integrase Catalytic Domain containing F185K + A124N + T125S mutations complexed with GSK0002 | | Descriptor: | (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ... | | Authors: | Nolte, R.T. | | Deposit date: | 2016-01-24 | | Release date: | 2016-12-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
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5HRP
 | | HIV Integrase Catalytic Domain containing F185K + A124T mutations complexed with GSK0002 | | Descriptor: | (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ... | | Authors: | Nolte, R.T. | | Deposit date: | 2016-01-24 | | Release date: | 2016-12-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
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5HRS
 | | HIV Integrase Catalytic Domain containing F185K + A124N + T125A mutations complexed with GSK0002 | | Descriptor: | (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ... | | Authors: | Nolte, R.T. | | Deposit date: | 2016-01-24 | | Release date: | 2016-12-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
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6IR1
 | | Crystal structure of red fluorescent protein mCherry complexed with the nanobody LaM4 at 1.9 Angstron resolution | | Descriptor: | MCherry fluorescent protein, mCherry's nanobody LaM4 | | Authors: | Ding, Y, Wang, Z.Y, Hu, R.T, Chen, X. | | Deposit date: | 2018-11-09 | | Release date: | 2019-11-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.919 Å) | | Cite: | Structural insights into the binding of nanobodies LaM2 and LaM4 to the red fluorescent protein mCherry.
Protein Sci., 30, 2021
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