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6LQC
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BU of 6lqc by Molmil
Crystal structure of Cyclohexylamine Oxidase from Erythrobacteraceae bacterium
分子名称: Cyclohexylamine Oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Huang, Z.D.
登録日2020-01-13
公開日2020-05-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Asymmetric Synthesis of a Key Dextromethorphan Intermediate and Its Analogues Enabled by a New Cyclohexylamine Oxidase: Enzyme Discovery, Reaction Development, and Mechanistic Insight.
J.Org.Chem., 85, 2020
3UDC
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BU of 3udc by Molmil
Crystal structure of a membrane protein
分子名称: Small-conductance mechanosensitive channel, C-terminal peptide from Small-conductance mechanosensitive channel
著者Li, W, Ge, J, Yang, M.
登録日2011-10-28
公開日2012-10-31
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.355 Å)
主引用文献Structure and molecular mechanism of an anion-selective mechanosensitive channel of small conductance
Proc.Natl.Acad.Sci.USA, 109, 2012
6LQL
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BU of 6lql by Molmil
Complex structure of CHAO with product from Erythrobacteraceae bacterium
分子名称: 1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydroisoquinoline, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Huang, Z.D.
登録日2020-01-14
公開日2020-06-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Asymmetric Synthesis of a Key Dextromethorphan Intermediate and Its Analogues Enabled by a New Cyclohexylamine Oxidase: Enzyme Discovery, Reaction Development, and Mechanistic Insight.
J.Org.Chem., 85, 2020
5LR3
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BU of 5lr3 by Molmil
RNA duplex has central consecutive GA pairs flanked by G-U basepairs
分子名称: RNA (5'-R(*GP*(CBV)P*CP*GP*GP*AP*UP*GP*GP*C)-3'), SULFATE ION
著者Huang, L, Lilley, D.M.J.
登録日2016-08-18
公開日2017-06-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Control of box C/D snoRNP assembly by N(6)-methylation of adenine.
EMBO Rep., 18, 2017
5LR5
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BU of 5lr5 by Molmil
N6-methyladenine is accommodated in a conventional A-U basepair
分子名称: RNA (5'-R(*GP*GP*(6MZ)P*CP*UP*AP*GP*UP*(CBV)P*C)-3'), SULFATE ION
著者Huang, L, Lilley, D.M.J.
登録日2016-08-18
公開日2017-06-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Control of box C/D snoRNP assembly by N(6)-methylation of adenine.
EMBO Rep., 18, 2017
4ZZH
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BU of 4zzh by Molmil
SIRT1/Activator Complex
分子名称: (4S)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2H)-carboxamide, NAD-dependent protein deacetylase sirtuin-1, ZINC ION
著者Dai, H.
登録日2015-05-22
公開日2015-07-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.1001 Å)
主引用文献Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
4Y4K
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BU of 4y4k by Molmil
Crystal structure of the mCD1d/EF77/iNKTCR ternary complex
分子名称: (4Z)-9-[(1R,2R)-2-decylcyclopropyl]-N-[(2S,3S,4S)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]non-4-enamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zajonc, D.M, Birkholz, A.M.
登録日2015-02-10
公開日2015-05-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural modifications of alphaGalCer in both lipid and carbohydrate moiety influence activation of murine and human iNKT cells
To Be Published
4Y4F
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BU of 4y4f by Molmil
Crystal structure of the mCD1d/GCK127/iNKTCR ternary complex
分子名称: (1R)-1,5-anhydro-1-[(1E,3S,4S,5R)-4,5-dihydroxy-3-(nonacosanoylamino)nonadec-1-en-1-yl]-D-galactitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zajonc, D.M, Yu, E.D.
登録日2015-02-10
公開日2015-05-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Structural modifications of alphaGalCer in both lipid and carbohydrate moiety influence activation of murine and human iNKT cells
To Be Published
1CPE
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BU of 1cpe by Molmil
A CATION BINDING MOTIF STABILIZES THE COMPOUND I RADICAL OF CYTOCHROME C PEROXIDASE
分子名称: CYTOCHROME C PEROXIDASE, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Miller, M.A, Han, G.W, Kraut, J.
登録日1994-08-18
公開日1994-11-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A cation binding motif stabilizes the compound I radical of cytochrome c peroxidase.
Proc.Natl.Acad.Sci.USA, 91, 1994
2RUD
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BU of 2rud by Molmil
Solution structure of the peptidyl prolyl cis-trans isomerase domain of C113D mutant human Pin1 with sulfate ion
分子名称: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Xu, N, Tamari, Y, Tochio, N, Tate, S.
登録日2014-03-25
公開日2014-12-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The C113D mutation in human Pin1 causes allosteric structural changes in the phosphate binding pocket of the PPIase domain through the tug of war in the dual-histidine motif.
Biochemistry, 53, 2014
4Q1F
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BU of 4q1f by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 12R {N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide}
分子名称: Deoxycytidine kinase, N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide, 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 (2.1 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
4Q1C
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BU of 4q1c by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 8 {2,2'-[{4-[(2R)-4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-2,3-dihydro-1,3-thiazol-2-yl]benzene-1,2-diyl}bis(oxy)]diethanol}
分子名称: 2,2'-((4-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-1,2-phenylene)bis(oxy))bis(ethan-1-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
4Y4H
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BU of 4y4h by Molmil
Crystal structure of the mCD1d/GCK152/iNKTCR ternary complex
分子名称: (1R)-1,5-anhydro-1-{(1E,3S,4S,5R)-4,5-dihydroxy-3-[(8-phenyloctanoyl)amino]nonadec-1-en-1-yl}-D-galactitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zajonc, D.M, Yu, E.D.
登録日2015-02-10
公開日2015-05-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural modifications of alphaGalCer in both lipid and carbohydrate moiety influence activation of murine and human iNKT cells
To Be Published
5Z5K
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BU of 5z5k by Molmil
Structure of the DCC-Draxin complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Draxin, ...
著者Liu, Y, Xiao, J, Wang, J.
登録日2018-01-18
公開日2018-06-20
最終更新日2021-03-10
実験手法X-RAY DIFFRACTION (2.493 Å)
主引用文献Structural Basis for Draxin-Modulated Axon Guidance and Fasciculation by Netrin-1 through DCC.
Neuron, 97, 2018
7EEI
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BU of 7eei by Molmil
Structure of Rift Valley fever virus RNA-dependent RNA polymerase
分子名称: Replicase
著者Wang, X, Hu, C.X.
登録日2021-03-18
公開日2021-11-17
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure of Rift Valley Fever Virus RNA-Dependent RNA Polymerase.
J.Virol., 96, 2022
6MJ6
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BU of 6mj6 by Molmil
Crystal structure of the mCD1d/xxx (JJ166) /iNKTCR ternary complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
著者Zajonc, D.M, Bitra, A, Janssens, J.
登録日2018-09-20
公開日2019-01-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies.
ChemMedChem, 14, 2019
6MJ4
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BU of 6mj4 by Molmil
Crystal structure of MCD1D/INKTCR TERNARY COMPLEX bound to glycolipid (XXW)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zajonc, D.M, Bitra, A, Janssens, J.
登録日2018-09-20
公開日2019-01-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies.
ChemMedChem, 14, 2019
6MIV
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BU of 6miv by Molmil
Crystal structure of the mCD1d/xxq (JJ300)/iNKTCR ternary complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zajonc, D.M, Bitra, A, Janssens, J.
登録日2018-09-20
公開日2019-01-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies.
ChemMedChem, 14, 2019
6MJA
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BU of 6mja by Molmil
Crystal structure of the mCD1d/xxo (JJ294) /iNKTCR ternary complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
著者Zajonc, D.M, Bitra, A, Janssens, J.
登録日2018-09-20
公開日2019-01-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies.
ChemMedChem, 14, 2019
4JDR
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BU of 4jdr by Molmil
Dihydrolipoamide dehydrogenase of pyruvate dehydrogenase from escherichia coli
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Chandrasekhar, K, Arjunan, P, Furey, W.
登録日2013-02-25
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Insight to the Interaction of the Dihydrolipoamide Acetyltransferase (E2) Core with the Peripheral Components in the Escherichia coli Pyruvate Dehydrogenase Complex via Multifaceted Structural Approaches.
J.Biol.Chem., 288, 2013
5WY5
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BU of 5wy5 by Molmil
Crystal structure of MAGEG1 and NSE1 complex
分子名称: MAGNESIUM ION, Melanoma-associated antigen G1, Non-structural maintenance of chromosomes element 1 homolog, ...
著者Yang, M, Gao, J.
登録日2017-01-11
公開日2017-05-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Mage-Ring Protein Complexes Comprise A Family Of E3 Ubiquitin Ligases.
Mol.Cell, 39, 2010
2RUC
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BU of 2ruc by Molmil
Solution structure of the peptidyl prolyl cis-trans isomerase domain of human Pin1 with sulfate ion
分子名称: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Xu, N, Tamari, Y, Tochio, N, Tate, S.
登録日2014-03-25
公開日2014-12-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The C113D mutation in human Pin1 causes allosteric structural changes in the phosphate binding pocket of the PPIase domain through the tug of war in the dual-histidine motif.
Biochemistry, 53, 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
6MJQ
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BU of 6mjq by Molmil
Crystal structure of the mCD1d/xxp (JJ295) /iNKTCR ternary complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
著者Zajonc, D.M, Bitra, A, Janssens, J.
登録日2018-09-21
公開日2019-01-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies.
ChemMedChem, 14, 2019
6MJI
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BU of 6mji by Molmil
Crystal structure of the mCD1d/xxs (JJ304) /iNKTCR ternary complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
著者Zajonc, D.M, Bitra, A, Janssens, J.
登録日2018-09-20
公開日2019-01-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies.
ChemMedChem, 14, 2019

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