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4U5I
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BU of 4u5i by Molmil
Complex structure of mutant CtCel5E (E314A) with xylobiose
Descriptor: Endoglucanase H, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Guo, R.T, Huang, C.H, Wu, T.H.
Deposit date:2014-07-25
Release date:2015-01-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Biochemical Characterization and Structural Analysis of a Bifunctional Cellulase/Xylanase from Clostridium thermocellum
J.Biol.Chem., 290, 2015
4U5K
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BU of 4u5k by Molmil
Complex structure of mutant CtCel5E (E314A) with cellobiose
Descriptor: Endoglucanase H, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Guo, R.T, Huang, C.H, Wu, T.H.
Deposit date:2014-07-25
Release date:2015-01-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Biochemical Characterization and Structural Analysis of a Bifunctional Cellulase/Xylanase from Clostridium thermocellum
J.Biol.Chem., 290, 2015
4RQZ
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BU of 4rqz by Molmil
re-refinement of 1soz, Crystal Structure of DegS protease in complex with an activating peptide
Descriptor: Protease degS, activating peptide
Authors:Sauer, R.T, Grant, R.A.
Deposit date:2014-11-05
Release date:2015-03-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Conserved Activation Cluster Is Required for Allosteric Communication in HtrA-Family Proteases.
Structure, 23, 2015
4R0D
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BU of 4r0d by Molmil
Crystal structure of a eukaryotic group II intron lariat
Descriptor: GROUP IIB INTRON LARIAT, IRIDIUM HEXAMMINE ION, LIGATED EXONS, ...
Authors:Robart, A.R, Chan, R.T, Peters, J.K, Rajashankar, K.R, Toor, N.
Deposit date:2014-07-30
Release date:2014-10-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.676 Å)
Cite:Crystal structure of a eukaryotic group II intron lariat.
Nature, 514, 2014
4M7I
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BU of 4m7i by Molmil
Crystal Structure of GSK6157 Bound to PERK (R587-R1092, delete A660-T867) at 2.34A Resolution
Descriptor: 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-1H-indol-1-yl]-2-(6-methylpyridin-2-yl)ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3
Authors:Gampe, R.T, Axten, J.M.
Deposit date:2013-08-12
Release date:2014-09-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Discovery of 5-{4-fluoro-1-[(6-methyl-2-pyridinyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2656157), a Potent and Selective PERK Inhibitor Selected for Preclinical Development
To be Published
6J0L
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BU of 6j0l by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with sulfate ion
Descriptor: Butyrophilin subfamily 3 member A3, SULFATE ION
Authors:Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
Deposit date:2018-12-24
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
6J8W
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BU of 6j8w by Molmil
Structure of MOEN5-SSO7D fusion protein in complex with lig 1
Descriptor: (2S)-3-dimethoxyphosphoryloxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid, MoeN5,DNA-binding protein 7d
Authors:Ko, T.P, Zhang, L.L, Chen, C.C, Guo, R.T.
Deposit date:2019-01-21
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Complex structures of MoeN5 with substrate analogues suggest sequential catalytic mechanism.
Biochem. Biophys. Res. Commun., 511, 2019
6J0K
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BU of 6j0k by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with HMBPP
Descriptor: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A3
Authors:Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
Deposit date:2018-12-24
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
3DDW
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BU of 3ddw by Molmil
Crystal structure of glycogen phosphorylase complexed with an anthranilimide based inhibitor GSK055
Descriptor: (2S)-{[(3-{[(2-chloro-6-methylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]amino}(phenyl)ethanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Nolte, R.T.
Deposit date:2008-06-06
Release date:2009-01-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Anthranilimide based glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. Part 3: X-ray crystallographic characterization, core and urea optimization and in vivo efficacy.
Bioorg.Med.Chem.Lett., 19, 2009
6J0G
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BU of 6j0g by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with HMBPP
Descriptor: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A3
Authors:Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
Deposit date:2018-12-24
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
3DDS
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BU of 3dds by Molmil
Crystal structure of glycogen phosphorylase complexed with an anthranilimide based inhibitor GSK261
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CAFFEINE, ...
Authors:Nolte, R.T.
Deposit date:2008-06-06
Release date:2009-01-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Anthranilimide based glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. Part 3: X-ray crystallographic characterization, core and urea optimization and in vivo efficacy.
Bioorg.Med.Chem.Lett., 19, 2009
6J03
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BU of 6j03 by Molmil
Crystal structure of a cyclase mutant in apo form
Descriptor: 12-epi-hapalindole U synthase, CALCIUM ION, amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium
Authors:Tang, X.K, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2018-12-20
Release date:2019-12-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structural insights into the calcium dependence of Stig cyclases.
Rsc Adv, 9, 2019
3EQ2
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BU of 3eq2 by Molmil
Structure of Hexagonal Crystal form of Pseudomonas aeruginosa RssB
Descriptor: Probable two-component response regulator
Authors:Levchenko, I, Grant, R.A, Sauer, R.T, Baker, T.A.
Deposit date:2008-09-30
Release date:2009-10-20
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (3.401 Å)
Cite:The structure of rssb, a clpx adaptor protein that regulates sigma S
To be Published
6J06
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BU of 6j06 by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with HMBPP-08
Descriptor: (2E)-3-(hydroxymethyl)-4-(4-methylphenyl)but-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A1, CALCIUM ION, ...
Authors:Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
Deposit date:2018-12-21
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
6J8V
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BU of 6j8v by Molmil
Structure of MOEN5-SSO7D fusion protein in complex with ligand 2
Descriptor: FARNESYL, MoeN5,DNA-binding protein 7d
Authors:Ko, T.P, Zhang, L.L, Chen, C.C, Guo, R.T.
Deposit date:2019-01-21
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Complex structures of MoeN5 with substrate analogues suggest sequential catalytic mechanism.
Biochem. Biophys. Res. Commun., 511, 2019
6JJS
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BU of 6jjs by Molmil
Crystal structure of an enzyme from Penicillium herquei in condition2
Descriptor: ACETATE ION, PhnH
Authors:Fen, Y, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2019-02-26
Release date:2020-01-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure and proposed mechanism of an enantioselective hydroalkoxylation enzyme from Penicillium herquei.
Biochem.Biophys.Res.Commun., 516, 2019
3CJF
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BU of 3cjf by Molmil
Crystal structure of VEGFR2 in complex with a 3,4,5-trimethoxy aniline containing pyrimidine
Descriptor: N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine, SULFATE ION, Vascular endothelial growth factor receptor 2
Authors:Nolte, R.T.
Deposit date:2008-03-12
Release date:2008-10-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a novel and potent vascular endothelial growth factor receptor inhibitor.
J.Med.Chem., 51, 2008
4O8J
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BU of 4o8j by Molmil
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:2023-09-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structure of RNA 3'-phosphate cyclase bound to substrate RNA.
Rna, 20, 2014
6JJT
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BU of 6jjt by Molmil
Crystal structure of an enzyme from Penicillium herquei in condition1
Descriptor: CITRIC ACID, DI(HYDROXYETHYL)ETHER, PhnH
Authors:Fen, Y, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2019-02-26
Release date:2020-01-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Crystal structure and proposed mechanism of an enantioselective hydroalkoxylation enzyme from Penicillium herquei.
Biochem.Biophys.Res.Commun., 516, 2019
4O89
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BU of 4o89 by Molmil
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
3DNJ
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BU of 3dnj by Molmil
The structure of the Caulobacter crescentus ClpS protease adaptor protein in complex with a N-end rule peptide
Descriptor: ATP-dependent Clp protease adapter protein clpS, MAGNESIUM ION, synthetic N-end rule peptide
Authors:Wang, K, Roman-Hernandez, G, Grant, R.A, Sauer, R.T, Baker, T.A.
Deposit date:2008-07-02
Release date:2008-11-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:The molecular basis of N-end rule recognition.
Mol.Cell, 32, 2008
3EOD
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BU of 3eod by Molmil
Crystal structure of N-terminal domain of E. coli RssB
Descriptor: Protein hnr
Authors:Levchenko, I, Grant, R.A, Sauer, R.T, Baker, T.A.
Deposit date:2008-09-26
Release date:2009-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The structure of RssB, a ClpX adaptor protein that regulates sigma S
To be Published
6KQX
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BU of 6kqx by Molmil
Crystal structure of Yijc from B. subtilis in complex with UDP
Descriptor: URIDINE-5'-DIPHOSPHATE, Uncharacterized UDP-glucosyltransferase YjiC
Authors:Hu, Y.M, Dai, L.H, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2019-08-20
Release date:2020-09-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structural dissection of unnatural ginsenoside-biosynthetic UDP-glycosyltransferase Bs-YjiC from Bacillus subtilis for substrate promiscuity.
Biochem.Biophys.Res.Commun., 534, 2021
6LAA
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BU of 6laa by Molmil
Crystal structure of full-length CYP116B46 from Tepidiphilus thermophilus
Descriptor: 1,2-ETHANEDIOL, CARBONATE ION, Cytochrome P450, ...
Authors:Zhang, L.L, Ko, T.P, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2019-11-12
Release date:2020-06-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural insight into the electron transfer pathway of a self-sufficient P450 monooxygenase.
Nat Commun, 11, 2020
4OQU
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BU of 4oqu by Molmil
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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