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5YBP
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Fe(II)/(alpha)ketoglutarate-dependent dioxygenase PrhA-V150L/A232S in complex with preaustinoid A1
分子名称: 2-OXOGLUTARIC ACID, FE (III) ION, PrhA, ...
著者Nakashima, Y, Senda, M.
登録日2017-09-05
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.312 Å)
主引用文献Structure function and engineering of multifunctional non-heme iron dependent oxygenases in fungal meroterpenoid biosynthesis.
Nat Commun, 9, 2018
4YRP
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BU of 4yrp by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 1-(4-BROMOPHENYL)METHANAMINE (Chem 707)
分子名称: 1,2-ETHANEDIOL, 1-(4-BROMOPHENYL)METHANAMINE, DIMETHYL SULFOXIDE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YS6
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CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM CLOSTRIDIUM PHYTOFERMENTANS (Cphy_1585, TARGET EFI-511156) WITH BOUND BETA-D-GLUCOSE
分子名称: CHLORIDE ION, Putative solute-binding component of ABC transporter, SODIUM ION, ...
著者Vetting, M.W, Patskovsky, Y, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2015-03-16
公開日2015-04-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM CLOSTRIDIUM PHYTOFERMENTANS (Cphy_1585, TARGET EFI-511156) WITH BOUND BETA-D-GLUCOSE
To be published
4YSJ
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Calcium-Dependent Protein Kinase from Eimeria tenella in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Calmodulin-like domain protein kinase, ...
著者Merritt, E.A.
登録日2015-03-17
公開日2016-04-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published
5YFT
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Crystal structure of ribose-1,5-bisphosphate isomerase mutant D204N from Pyrococcus horikoshii OT3 in complex with ribose-1,5-bisphosphate
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 1,5-di-O-phosphono-alpha-D-ribofuranose, ...
著者Gogoi, P, Kanaujia, S.P.
登録日2017-09-22
公開日2018-02-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献A presumed homologue of the regulatory subunits of eIF2B functions as ribose-1,5-bisphosphate isomerase in Pyrococcus horikoshii OT3.
Sci Rep, 8, 2018
4YSI
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Structure of USP7 with a novel viral protein
分子名称: GLYCEROL, SER-PRO-GLY-GLU-GLY-PRO-SER-GLY, Ubiquitin carboxyl-terminal hydrolase 7
著者Chavoshi, S, Saridakis, V.
登録日2015-03-17
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Structure of USP7 with a novel viral protein
J.Biol.Chem., 2016
5YG9
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Crystal structure of ribose-1,5-bisphosphate isomerase mutant C135S from Pyrococcus horikoshii OT3 in complex with ribose-1,5-bisphosphate, AMP and GMP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,5-di-O-phosphono-alpha-D-ribofuranose, ADENOSINE MONOPHOSPHATE, ...
著者Gogoi, P, Kanaujia, S.P.
登録日2017-09-22
公開日2018-02-14
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A presumed homologue of the regulatory subunits of eIF2B functions as ribose-1,5-bisphosphate isomerase in Pyrococcus horikoshii OT3.
Sci Rep, 8, 2018
5YP3
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BU of 5yp3 by Molmil
Crystal structure of dipeptidyl peptidase IV (DPP IV) with Ile-Pro from Pseudoxanthomonas mexicana
分子名称: Dipeptidyl aminopeptidase 4, GLYCEROL, ISOLEUCINE, ...
著者Roppongi, S, Suzuki, Y, Tateoka, C, Fuimoto, M, Morisawa, S, Iizuka, I, Nakamura, A, Honma, N, Shida, Y, Ogasawara, W, Tanaka, N, Sakamoto, Y, Nonaka, T.
登録日2017-11-01
公開日2018-02-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Crystal structures of a bacterial dipeptidyl peptidase IV reveal a novel substrate recognition mechanism distinct from that of mammalian orthologues.
Sci Rep, 8, 2018
5YJI
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Co-crystal structure of Mouse Nicotinamide N-methyltransferase (NNMT) with small molecule analog of Nicotinamide
分子名称: 6-methoxy-1-methyl-2H-pyridine-3-carboxamide, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Birudukota, S, Swaminathan, S, Thakur, M.K, Parveen, R, Kandan, S, Hallur, M.S, Rajagopal, S, Ruf, S, Dhakshinamoorthy, S, Kannt, A, Gosu, R.
登録日2017-10-10
公開日2018-03-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献A small molecule inhibitor of Nicotinamide N-methyltransferase for the treatment of metabolic disorders.
Sci Rep, 8, 2018
5YJF
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Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with small molecule analog of Nicotinamide
分子名称: 6-methoxy-1-methyl-2H-pyridine-3-carboxamide, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Swaminathan, S, Birudukota, S, Thakur, M.K, Parveen, R, Kandan, S, Hallur, M.S, Rajagopal, S, Ruf, S, Dhakshinamoorthy, S, Kannt, A, Gosu, R.
登録日2017-10-10
公開日2018-03-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献A small molecule inhibitor of Nicotinamide N-methyltransferase for the treatment of metabolic disorders.
Sci Rep, 8, 2018
4YAB
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BU of 4yab by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with 1-methyl-5-(2-methyl-1 3-thiazol-4-yl)-2 3-dihydro-1H-indol-2-one (1)
分子名称: 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2H-indol-2-one, SULFATE ION, Transcription intermediary factor 1-alpha, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-17
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YAD
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Crystal structure of TRIM24 PHD-bromodomain complexed with 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzene-1-sulfonamide (3b)
分子名称: 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide, CHLORIDE ION, GLYCEROL, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-17
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YC3
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BU of 4yc3 by Molmil
CDK1/CyclinB1/CKS2 Apo
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, ...
著者Brown, N.R, Korolchuk, S, Martin, M.P, Stanley, W, Moukhametzianov, R, Noble, M.E.M, Endicott, J.A.
登録日2015-02-19
公開日2016-04-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献CDK1 structures reveal conserved and unique features of the essential cell cycle CDK.
Nat Commun, 6, 2015
5YL9
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BU of 5yl9 by Molmil
1.86 Angstrom crystal structure of human Coronavirus 229E fusion core
分子名称: Spike glycoprotein
著者Yang, B, Yan, L, Meng, B, WIlson, I.A.
登録日2017-10-17
公開日2018-09-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.861 Å)
主引用文献Crystal structure of the post-fusion core of the Human coronavirus 229E spike protein at 1.86 angstrom resolution
Acta Crystallogr D Struct Biol, 74, 2018
5YLE
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BU of 5yle by Molmil
MCR-1 complex with ethanolamine (ETA)
分子名称: ETHANOLAMINE, Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION
著者Wei, P.C, Song, G.J, Shi, M.Y, Zhou, Y.F, Liu, Y, Lei, J, Chen, P, Yin, L.
登録日2017-10-17
公開日2017-11-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Substrate analog interaction with MCR-1 offers insight into the rising threat of the plasmid-mediated transferable colistin resistance.
FASEB J., 32, 2018
4YB5
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Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni in complex with the allosteric inhibitor histidine
分子名称: ATP phosphoribosyltransferase, DI(HYDROXYETHYL)ETHER, HISTIDINE, ...
著者Mittelstaedt, G, Moggre, G.-J, Parker, E.J.
登録日2015-02-18
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Campylobacter jejuni adenosine triphosphate phosphoribosyltransferase is an active hexamer that is allosterically controlled by the twisting of a regulatory tail.
Protein Sci., 25, 2016
4YEF
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BU of 4yef by Molmil
beta1 carbohydrate binding module (CBM) of AMP-activated protein kinase (AMPK) in complex with glucosyl-beta-cyclododextrin
分子名称: 5'-AMP-activated protein kinase subunit beta-1, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), GLYCEROL, ...
著者Mobbs, J, Gorman, M.A, Parker, M.W, Gooley, P.R, Griffin, M.
登録日2015-02-24
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Determinants of oligosaccharide specificity of the carbohydrate-binding modules of AMP-activated protein kinase.
Biochem.J., 468, 2015
4YEY
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HUaa-20bp
分子名称: DNA-binding protein HU-alpha, synthetic DNA strand
著者Hammel, M, Reyes, F.E, Parpana, R, Tainer, J.A, Adhya, S, Amlanjyoti, D.
登録日2015-02-24
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.354 Å)
主引用文献HU multimerization shift controls nucleoid compaction.
Sci Adv, 2, 2016
4YFH
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HU38-20bp
分子名称: DNA-binding protein HU-alpha, synthetic DNA strand
著者Hammel, M, Reyes, F.E, Parpana, R, Tainer, J.A, Adhya, S, Amlanjyoti, D.
登録日2015-02-25
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献HU multimerization shift controls nucleoid compaction.
Sci Adv, 2, 2016
4YH2
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Glutathione Transferase E6 from Drosophila melanogaster
分子名称: GLUTATHIONE, Glutathione S transferase E6
著者Wongsantichon, J, Robinson, R.C, Ketterman, A.J.
登録日2015-02-26
公開日2016-02-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Epsilon glutathione transferases possess a unique class-conserved subunit interface motif that directly interacts with glutathione in the active site
Biosci.Rep., 35, 2015
4YRO
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Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 5-bromo-6-methylpyridin-2-amine (Chem 491)
分子名称: 1,2-ETHANEDIOL, 5-bromo-6-methylpyridin-2-amine, DIMETHYL SULFOXIDE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
5YS4
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Crystal structure of retroviral protease-like domain of Ddi1 from Leishmania major
分子名称: DNA-damage inducible protein DDI1-like protein
著者Suguna, K, Kumar, S.
登録日2017-11-13
公開日2018-11-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the retroviral protease-like domain of a protozoal DNA damage-inducible 1 protein.
FEBS Open Bio, 8, 2018
4Y5R
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Crystal Structure of a T67A MauG/pre-Methylamine Dehydrogenase Complex
分子名称: CALCIUM ION, HEME C, Methylamine dehydrogenase heavy chain, ...
著者Li, C, Wilmot, C.M.
登録日2015-02-11
公開日2015-06-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A T67A mutation in the proximal pocket of the high-spin heme of MauG stabilizes formation of a mixed-valent Fe(II)/Fe(III) state and enhances charge resonance stabilization of the bis-Fe(IV) state.
Biochim.Biophys.Acta, 1847, 2015
4X5V
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Crystal structure of the post-catalytic nick complex of DNA polymerase lambda with a templating A and incorporated 8-oxo-dGMP
分子名称: CITRIC ACID, DNA (5'-D(*CP*AP*GP*TP*AP*CP*(8OG))-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
著者Burak, M.J, Guja, K.E, Garcia-Diaz, M.
登録日2014-12-05
公開日2015-10-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Nucleotide binding interactions modulate dNTP selectivity and facilitate 8-oxo-dGTP incorporation by DNA polymerase lambda.
Nucleic Acids Res., 43, 2015
4WUN
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Structure of FGFR1 in complex with AZD4547 (N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4-[(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE) at 1.65 angstrom
分子名称: Fibroblast growth factor receptor 1, N-{3-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide
著者Squire, C.J, Yosaatmadja, C.J.
登録日2014-11-02
公開日2014-11-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The 1.65 angstrom resolution structure of the complex of AZD4547 with the kinase domain of FGFR1 displays exquisite molecular recognition.
Acta Crystallogr.,Sect.D, 71, 2015

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