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4XHK
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BU of 4xhk by Molmil
PIM1 kinase in complex with Compound 1s
分子名称: 2-(2,6-difluorophenyl)-N-{4-[(3S)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1
著者Marcotte, D.J, Silvian, L.F.
登録日2015-01-05
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based design of low-nanomolar PIM kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4HSH
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BU of 4hsh by Molmil
tRNA-guanine transglycosylase Y106F, V233G mutant in complex with queuine
分子名称: 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Biela, I, Tidten-Luksch, N, Heine, A, Reuter, K, Klebe, G.
登録日2012-10-30
公開日2012-11-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor.
Plos One, 8, 2013
4QF0
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BU of 4qf0 by Molmil
Structure of a 16 nm protein cage designed by fusing symmetric oligomeric domains, quadruple mutant, P21212 form
分子名称: Non-haem bromoperoxidase BPO-A2, Matrix protein 1 chimera
著者Lai, Y.-T, Yeates, T.O.
登録日2014-05-19
公開日2015-05-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (6.494 Å)
主引用文献Structural transition of a protein nanocage as a function of pH and salt concentration.
To be Published
4XHI
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BU of 4xhi by Molmil
Crystal structure of native Thosea asigna virus RNA-dependent RNA polymerase (RdRP) at 2.15 Angstrom resolution
分子名称: GLYCEROL, RNA-dependent RNA polymerase, SULFATE ION
著者Ferrero, D.S, Buxaderas, M, Rodriguez, J.F, Verdaguer, N.
登録日2015-01-05
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Structure of the RNA-Dependent RNA Polymerase of a Permutotetravirus Suggests a Link between Primer-Dependent and Primer-Independent Polymerases.
Plos Pathog., 11, 2015
6SDM
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BU of 6sdm by Molmil
NADH-dependent variant of TBADH
分子名称: NADP-dependent isopropanol dehydrogenase, ZINC ION
著者Selles Vidal, L, Murray, J.W, Heap, J.T.
登録日2019-07-28
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Versatile selective evolutionary pressure using synthetic defect in universal metabolism.
Nat Commun, 12, 2021
6SCH
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BU of 6sch by Molmil
NADH-dependent variant of CBADH
分子名称: MAGNESIUM ION, NADP-dependent isopropanol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Selles Vidal, L, Murray, J.W, Heap, J.T.
登録日2019-07-24
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Versatile selective evolutionary pressure using synthetic defect in universal metabolism.
Nat Commun, 12, 2021
4QES
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BU of 4qes by Molmil
Structure of a 16 nm protein cage designed by fusing symmetric oligomeric domains, quadruple mutant, I222 form
分子名称: Non-haem bromoperoxidase BPO-A2, Matrix protein 1 chimera
著者Lai, Y.-T, Yeates, T.O.
登録日2014-05-18
公開日2015-05-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (4.193 Å)
主引用文献Structural transition of a protein nanocage as a function of pH and salt concentration.
To be Published
4Q1B
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BU of 4q1b by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 7 {N-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide}
分子名称: Deoxycytidine kinase, N-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2014-04-03
公開日2015-02-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4Q1D
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BU of 4q1d by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 9 {2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine}
分子名称: (R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-propylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2014-04-03
公開日2015-02-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
3E78
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BU of 3e78 by Molmil
Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37
分子名称: CALCIUM ION, CHLORIDE ION, High affinity transport system protein p37, ...
著者Sippel, K.H, Robbins, A.H, Reutzel, R, Domsic, J, McKenna, R.
登録日2008-08-18
公開日2008-10-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37.
Acta Crystallogr.,Sect.D, 64, 2008
4Q18
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BU of 4q18 by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 4 [1-[5-(4-{[(2,6-diaminopyrimidin-4-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol]
分子名称: 1-(5-(4-(((2,6-diaminopyrimidin-4-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)-2-methylpropan-2-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2014-04-03
公開日2014-11-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4Q19
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BU of 4q19 by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 5 {5-(4-{[(4,6-DIAMINOPYRIMIDIN-2-YL)SULFANYL]METHYL}-5-PROPYL-1,3-THIAZOL-2-YL)-2-METHOXYPHENOL}
分子名称: 5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2014-04-03
公開日2014-11-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4XWF
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BU of 4xwf by Molmil
Crystal structure of the ZMP riboswitch at 1.80 angstrom
分子名称: AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, CACODYLATE ION, IRIDIUM HEXAMMINE ION, ...
著者Trausch, J.J, Batey, R.T.
登録日2015-01-28
公開日2015-09-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Metal Ion-Mediated Nucleobase Recognition by the ZTP Riboswitch.
Chem.Biol., 22, 2015
4XJV
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BU of 4xjv by Molmil
Crystal structure of human thioesterase 2
分子名称: CHLORIDE ION, S-acyl fatty acid synthase thioesterase, medium chain
著者Ritchie, M.K, Kridel, S.J, Lowther, W.T.
登録日2015-01-09
公開日2015-12-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure and Substrate Specificity of Human Thioesterase 2: INSIGHTS INTO THE MOLECULAR BASIS FOR THE MODULATION OF FATTY ACID SYNTHASE.
J.Biol.Chem., 291, 2016
4QFF
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BU of 4qff by Molmil
Structure of a 16 nm protein cage designed by fusing symmetric oligomeric domains, quadruple mutant, P212121 form
分子名称: Non-haem bromoperoxidase BPO-A2, Matrix protein 1 chimera
著者Lai, Y.-T, Yeates, T.O.
登録日2014-05-20
公開日2015-05-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (7.811 Å)
主引用文献Structural transition of a protein nanocage as a function of pH and salt concentration
To be Published
2LXN
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BU of 2lxn by Molmil
Solution NMR structure of glutamine amido transferase subunit of gaunosine monophosphate synthetase from Methanocaldococcus jannaschii
分子名称: GMP synthase [glutamine-hydrolyzing] subunit A
著者Ali, R, Kumar, S, Balaram, H, Sarma, S.P.
登録日2012-08-30
公開日2013-06-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献1H, 13C, 15N assignment and secondary structure determination of glutamine amido transferase subunit of gaunosine monophosphate synthetase from Methanocaldococcus jannaschii
Biomol.Nmr Assign., 6, 2012
4QLB
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BU of 4qlb by Molmil
Structural Basis for the Recruitment of Glycogen Synthase by Glycogenin
分子名称: GLYCEROL, Probable glycogen [starch] synthase, Protein GYG-1, ...
著者Zeqiraj, E, Judd, A, Sicheri, F.
登録日2014-06-11
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for the recruitment of glycogen synthase by glycogenin.
Proc.Natl.Acad.Sci.USA, 111, 2014
6SGA
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BU of 6sga by Molmil
Body domain of the mt-SSU assemblosome from Trypanosoma brucei
分子名称: 9S rRNA, MAGNESIUM ION, PHOSPHATE ION, ...
著者Saurer, M, Ramrath, D.J.F, Niemann, M, Calderaro, S, Prange, C, Mattei, S, Scaiola, A, Leitner, A, Bieri, P, Horn, E.K, Leibundgut, M, Boehringer, D, Schneider, A, Ban, N.
登録日2019-08-03
公開日2019-09-18
最終更新日2019-09-25
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Mitoribosomal small subunit biogenesis in trypanosomes involves an extensive assembly machinery.
Science, 365, 2019
4XW7
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BU of 4xw7 by Molmil
Crystal structure of the ZMP riboswitch at 2.50 angstrom
分子名称: AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, IRIDIUM HEXAMMINE ION, MAGNESIUM ION, ...
著者Trausch, J.J, Batey, R.T.
登録日2015-01-28
公開日2015-09-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Metal Ion-Mediated Nucleobase Recognition by the ZTP Riboswitch.
Chem.Biol., 22, 2015
7WBN
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BU of 7wbn by Molmil
PDB structure of RevCC
分子名称: RevCC
著者Han, S, Kim, D, Kaur, M, Lim, Y.B, Barnwal, R.P.
登録日2021-12-17
公開日2022-10-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Pseudo-Isolated alpha-Helix Platform for the Recognition of Deep and Narrow Targets.
J.Am.Chem.Soc., 144, 2022
4YLP
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BU of 4ylp by Molmil
E. coli Transcription Initiation Complex - 16-bp spacer and 5-nt RNA
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Zuo, Y, Steitz, T.A.
登録日2015-03-05
公開日2015-04-22
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (5.5 Å)
主引用文献Crystal Structures of the E. coli Transcription Initiation Complexes with a Complete Bubble.
Mol.Cell, 58, 2015
4YH5
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BU of 4yh5 by Molmil
Lipomyces starkeyi levoglucosan kinase bound to ADP and Manganese
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Levoglucosan kinase, ...
著者Bacik, J.P.
登録日2015-02-26
公開日2015-09-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Producing Glucose 6-Phosphate from Cellulosic Biomass: STRUCTURAL INSIGHTS INTO LEVOGLUCOSAN BIOCONVERSION.
J.Biol.Chem., 290, 2015
4YLO
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BU of 4ylo by Molmil
E. coli Transcription Initiation Complex - 16-bp spacer and 4-nt RNA
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Zuo, Y, Steitz, T.A.
登録日2015-03-05
公開日2015-04-22
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (6 Å)
主引用文献Crystal Structures of the E. coli Transcription Initiation Complexes with a Complete Bubble.
Mol.Cell, 58, 2015
7U07
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BU of 7u07 by Molmil
Crystal structure of queuine salvage enzyme DUF2419, apo form
分子名称: Queuine salvage enzyme DUF2419
著者Hung, S.-H, Swairjo, M.A.
登録日2022-02-17
公開日2022-12-21
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of Qng1-mediated salvage of the micronutrient queuine from queuosine-5'-monophosphate as the biological substrate.
Nucleic Acids Res., 51, 2023
7U91
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BU of 7u91 by Molmil
Crystal structure of queuine salvage enzyme DUF2419, in complex with queuosine-5'-monophosphate
分子名称: 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-(5-O-phosphono-beta-D-ribofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Hung, S.-H, Swairjo, M.A.
登録日2022-03-09
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis of Qng1-mediated salvage of the micronutrient queuine from queuosine-5'-monophosphate as the biological substrate.
Nucleic Acids Res., 51, 2023

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