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6JTB
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BU of 6jtb by Molmil
Crystal structure of dipeptidyl peptidase 11 (DPP11) with citrate from Porphyromonas gingivalis (Space)
分子名称: Asp/Glu-specific dipeptidyl-peptidase, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Sakamoto, Y, Suzuki, Y, Iizuka, I, Roppongi, S, Kushibiki, C, Nakamura, A, Ogasawara, W, Tanaka, N.
登録日2019-04-10
公開日2019-10-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Fragment-based discovery of the first nonpeptidyl inhibitor of an S46 family peptidase.
Sci Rep, 9, 2019
6JTC
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BU of 6jtc by Molmil
Crystal structure of dipeptidyl peptidase 11 (DPP11) with SH-5 from Porphyromonas gingivalis (Space)
分子名称: 2-(2-azanylethylamino)-5-nitro-benzoic acid, Asp/Glu-specific dipeptidyl-peptidase, GLYCEROL
著者Sakamoto, Y, Suzuki, Y, Iizuka, I, Roppongi, S, Kushibiki, C, Nakamura, A, Ogasawara, W, Tanaka, N.
登録日2019-04-10
公開日2019-10-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Fragment-based discovery of the first nonpeptidyl inhibitor of an S46 family peptidase.
Sci Rep, 9, 2019
1XK5
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BU of 1xk5 by Molmil
Crystal structure of the m3G-cap-binding domain of snurportin1 in complex with a m3GpppG-cap dinucleotide
分子名称: 2,2,7-TRIMETHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, snurportin-1
著者Strasser, A, Dickmanns, A, Luehrmann, R, Ficner, R.
登録日2004-09-27
公開日2005-06-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for m(3)G-cap-mediated nuclear import of spliceosomal UsnRNPs by snurportin1
Embo J., 24, 2005
8HHQ
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BU of 8hhq by Molmil
Covalent bond formation between cysteine of PPARg-LBD and iodoacetic acid
分子名称: GLYCOLIC ACID, Peroxisome proliferator-activated receptor gamma
著者Kojima, H, Itoh, T.
登録日2022-11-16
公開日2023-09-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Covalent Modifier Discovery Using Hydrogen/Deuterium Exchange-Mass Spectrometry.
J.Med.Chem., 66, 2023
8HHP
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BU of 8hhp by Molmil
Crystal structure of PPARg-LBD complexed with three partial agonists, one nTZDpa and two LT175
分子名称: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome proliferator-activated receptor gamma
著者Kojima, H, Itoh, T.
登録日2022-11-16
公開日2023-11-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Covalent Modifier Discovery Using Hydrogen/Deuterium Exchange-Mass Spectrometry.
J.Med.Chem., 66, 2023
2RSE
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BU of 2rse by Molmil
NMR structure of FKBP12-mTOR FRB domain-rapamycin complex structure determined based on PCS
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP1A, Serine/threonine-protein kinase mTOR, TERBIUM(III) ION
著者Kobashigawa, Y, Ushio, M, Saio, T, Inagaki, F.
登録日2012-01-25
公開日2012-05-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Convenient method for resolving degeneracies due to symmetry of the magnetic susceptibility tensor and its application to pseudo contact shift-based protein-protein complex structure determination.
J.Biomol.Nmr, 53, 2012
2RVD
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BU of 2rvd by Molmil
NMR STRUCTURE of A MUTANT OF CHIGNOLIN, CLN025
分子名称: CLN025
著者Kato, Y, Ishimura, M, Honda, S.
登録日2015-07-14
公開日2015-08-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Crystal structure of a ten-amino acid protein
J.Am.Chem.Soc., 130, 2008
3N4O
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BU of 3n4o by Molmil
Insights into the stabilizing contributions of a bicyclic cytosine analogue: crystal structures of DNA duplexes containing 7,8-dihydropyrido[2,3-d]pyrimidin-2-one
分子名称: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*(B7C)P*CP*GP*CP*G)-3'
著者Takenaka, A, Juan, E.C.M, Shimizu, S.
登録日2010-05-22
公開日2010-08-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Insights into the DNA stabilizing contributions of a bicyclic cytosine analogue: crystal structures of DNA duplexes containing 7,8-dihydropyrido [2,3-d]pyrimidin-2-one.
Nucleic Acids Res., 2010
3N4N
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BU of 3n4n by Molmil
Insights into the stabilizing contributions of a bicyclic cytosine analogue: crystal structures of DNA duplexes containing 7,8-dihydropyrido[2,3-d]pyrimidin-2-one
分子名称: 5'-D(*CP*GP*CP*GP*AP*A)-3', 5'-D(P*TP*TP*(B7C)P*GP*CP*G)-3'
著者Takenaka, A, Juan, E.C.M, Shimizu, S.
登録日2010-05-22
公開日2010-08-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Insights into the DNA stabilizing contributions of a bicyclic cytosine analogue: crystal structures of DNA duplexes containing 7,8-dihydropyrido [2,3-d]pyrimidin-2-one.
Nucleic Acids Res., 2010
3GJH
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BU of 3gjh by Molmil
Crystal structure of a DNA duplex containing 7,8-dihydropyridol[2,3-d]pyrimidin-2-one
分子名称: 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(B7C)P*GP*CP*G)-3', 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE
著者Takenaka, A, Juan, E.C.M, Shimizu, S, Haraguchi, T, Xiao, M, Kurose, T.
登録日2009-03-09
公開日2010-03-31
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Insights into the stabilizing contributions of bicyclic cytosine analogues: crystal structures of DNA duplexes containing 7,8-dihydropyridol[2,3-d]pyrimidin-2-one
To be Published
7Y6A
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BU of 7y6a by Molmil
Crystal structure of Chicken Egg Lysozyme
分子名称: Lysozyme C, NITRATE ION
著者DeMirci, H.
登録日2022-06-18
公開日2023-04-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Cryogenic X-ray crystallographic studies of biomacromolecules at Turkish Light Source " Turkish DeLight ".
Turk J Biol, 47, 2023
5AWL
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BU of 5awl by Molmil
CRYSTAL STRUCTURE OF A MUTANT OF CHIGNOLIN, CLN025
分子名称: A mutant of Chignolin, CLN025
著者Akiba, T, Ishimura, M, Odahara, T, Harata, K, Honda, S.
登録日2015-07-05
公開日2015-08-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献Crystal structure of a ten-amino acid protein
J.Am.Chem.Soc., 130, 2008
3L85
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BU of 3l85 by Molmil
Crystal structure of human NUDT5 complexed with 8-oxo-dGMP
分子名称: 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, ADP-sugar pyrophosphatase
著者Arimori, T, Yamagata, Y.
登録日2009-12-29
公開日2011-01-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Diverse substrate recognition and hydrolysis mechanisms of human NUDT5
Nucleic Acids Res., 39, 2011
5B1S
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BU of 5b1s by Molmil
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 2-(2-fluorophenyl)ethanamine
分子名称: 2-(2-fluorophenyl)ethanamine, 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, Spermidine synthase, ...
著者Amano, Y, Tateishi, Y.
登録日2015-12-17
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献In silico, in vitro, X-ray crystallography, and integrated strategies for discovering spermidine synthase inhibitors for Chagas disease
Sci Rep, 7, 2017
5X4U
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BU of 5x4u by Molmil
PAC from Oscillatoriaacuminata after 60 seconds photoactivation
分子名称: FLAVIN MONONUCLEOTIDE, Photoactivated adenylyl cyclase
著者Ohki, M, Park, S.-Y.
登録日2017-02-14
公開日2017-07-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular mechanism of photoactivation of a light-regulated adenylate cyclase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5X4T
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BU of 5x4t by Molmil
PAC from Oscillatoria acuminata after 20 seconds photoactivation
分子名称: FLAVIN MONONUCLEOTIDE, Photoactivated adenylyl cyclase
著者Ohki, M, Park, S.-Y.
登録日2017-02-14
公開日2017-07-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Molecular mechanism of photoactivation of a light-regulated adenylate cyclase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5X4V
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BU of 5x4v by Molmil
Roseoflavin substituted OaPAC
分子名称: 1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-D-ribitol, Photoactivated adenylyl cyclase
著者Ohki, M, Park, S.-Y.
登録日2017-02-14
公開日2017-07-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular mechanism of photoactivation of a light-regulated adenylate cyclase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5Y4Q
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BU of 5y4q by Molmil
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with N-(4-methoxyphenyl)quinolin-4-amine
分子名称: 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, N-(4-methoxyphenyl)quinolin-4-amine, Spermidine synthase, ...
著者Amano, Y, Tateishi, Y.
登録日2017-08-04
公開日2018-08-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery of a Hidden Trypanosoma cruzi Spermidine Synthase Binding Site and Inhibitors through In Silico, In Vitro , and X-ray Crystallography.
Acs Omega, 8, 2023
5Y4P
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BU of 5y4p by Molmil
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 5-methoxy-2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenol
分子名称: 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, 5-methoxy-2-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenol, Spermidine synthase, ...
著者Amano, Y, Tateishi, Y.
登録日2017-08-04
公開日2018-08-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Discovery of a Hidden Trypanosoma cruzi Spermidine Synthase Binding Site and Inhibitors through In Silico, In Vitro , and X-ray Crystallography.
Acs Omega, 8, 2023
1MPG
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BU of 1mpg by Molmil
3-METHYLADENINE DNA GLYCOSYLASE II FROM ESCHERICHIA COLI
分子名称: 3-METHYLADENINE DNA GLYCOSYLASE II, GLYCEROL
著者Labahn, J, Schaerer, O.D, Long, A, Ezaz-Nikpay, K, Verdine, G.L, Ellenberger, T.E.
登録日1997-10-28
公開日1998-01-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for the excision repair of alkylation-damaged DNA.
Cell(Cambridge,Mass.), 86, 1996
2DLC
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BU of 2dlc by Molmil
Crystal structure of the ternary complex of yeast tyrosyl-tRNA synthetase
分子名称: MAGNESIUM ION, O-(ADENOSINE-5'-O-YL)-N-(L-TYROSYL)PHOSPHORAMIDATE, T-RNA (76-MER), ...
著者Tsunoda, M, Kusakabe, Y, Tanaka, N, Nakamura, K.T.
登録日2006-04-18
公開日2007-06-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for recognition of cognate tRNA by tyrosyl-tRNA synthetase from three kingdoms.
Nucleic Acids Res., 35, 2007
5C0N
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BU of 5c0n by Molmil
Development of a monoclonal antibody targeting secreted aP2 to treat diabetes and fatty liver disease
分子名称: Fab CA33 Heavy chain, Fab CA33 light chain, Fatty acid-binding protein, ...
著者Doyle, C.
登録日2015-06-12
公開日2015-06-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Development of a therapeutic monoclonal antibody that targets secreted fatty acid-binding protein aP2 to treat type 2 diabetes.
Sci Transl Med, 7, 2015
5D8J
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BU of 5d8j by Molmil
Development of a therapeutic monoclonal antibody targeting secreted aP2 to treat type 2 diabetes.
分子名称: Fatty acid-binding protein, adipocyte, HA3 Fab Heavy Chain, ...
著者Doyle, C, Birrane, G.
登録日2015-08-17
公開日2016-01-13
最終更新日2017-08-02
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Development of a therapeutic monoclonal antibody that targets secreted fatty acid-binding protein aP2 to treat type 2 diabetes.
Sci Transl Med, 7, 2015
3A6V
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BU of 3a6v by Molmil
Crystal structure of the MutT protein in MN(II) bound holo form
分子名称: L(+)-TARTARIC ACID, MANGANESE (II) ION, Mutator mutT protein, ...
著者Nakamura, T, Yamagata, Y.
登録日2009-09-09
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and dynamic features of the MutT protein in the recognition of nucleotides with the mutagenic 8-oxoguanine base
J.Biol.Chem., 285, 2010
3A6T
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Crystal structure of MutT-8-OXO-DGMP complex
分子名称: 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, Mutator mutT protein, SODIUM ION, ...
著者Nakamura, T, Yamagata, Y.
登録日2009-09-09
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural and dynamic features of the MutT protein in the recognition of nucleotides with the mutagenic 8-oxoguanine base
J.Biol.Chem., 285, 2010

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