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5YBP
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BU of 5ybp by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase PrhA-V150L/A232S in complex with preaustinoid A1
Descriptor: 2-OXOGLUTARIC ACID, FE (III) ION, PrhA, ...
Authors:Nakashima, Y, Senda, M.
Deposit date:2017-09-05
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.312 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, 1-(4-BROMOPHENYL)METHANAMINE, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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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BU of 4ys6 by Molmil
CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM CLOSTRIDIUM PHYTOFERMENTANS (Cphy_1585, TARGET EFI-511156) WITH BOUND BETA-D-GLUCOSE
Descriptor: CHLORIDE ION, Putative solute-binding component of ABC transporter, SODIUM ION, ...
Authors: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)
Deposit date:2015-03-16
Release date:2015-04-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.698 Å)
Cite: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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BU of 4ysj by Molmil
Calcium-Dependent Protein Kinase from Eimeria tenella in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Calmodulin-like domain protein kinase, ...
Authors:Merritt, E.A.
Deposit date:2015-03-17
Release date:2016-04-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published
5YFT
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BU of 5yft by Molmil
Crystal structure of ribose-1,5-bisphosphate isomerase mutant D204N from Pyrococcus horikoshii OT3 in complex with ribose-1,5-bisphosphate
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 1,5-di-O-phosphono-alpha-D-ribofuranose, ...
Authors:Gogoi, P, Kanaujia, S.P.
Deposit date:2017-09-22
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.21 Å)
Cite: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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BU of 4ysi by Molmil
Structure of USP7 with a novel viral protein
Descriptor: GLYCEROL, SER-PRO-GLY-GLU-GLY-PRO-SER-GLY, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Chavoshi, S, Saridakis, V.
Deposit date:2015-03-17
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Structure of USP7 with a novel viral protein
J.Biol.Chem., 2016
5YG9
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BU of 5yg9 by Molmil
Crystal structure of ribose-1,5-bisphosphate isomerase mutant C135S from Pyrococcus horikoshii OT3 in complex with ribose-1,5-bisphosphate, AMP and GMP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,5-di-O-phosphono-alpha-D-ribofuranose, ADENOSINE MONOPHOSPHATE, ...
Authors:Gogoi, P, Kanaujia, S.P.
Deposit date:2017-09-22
Release date:2018-02-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: Dipeptidyl aminopeptidase 4, GLYCEROL, ISOLEUCINE, ...
Authors: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.
Deposit date:2017-11-01
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.44 Å)
Cite: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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BU of 5yji by Molmil
Co-crystal structure of Mouse Nicotinamide N-methyltransferase (NNMT) with small molecule analog of Nicotinamide
Descriptor: 6-methoxy-1-methyl-2H-pyridine-3-carboxamide, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Birudukota, S, Swaminathan, S, Thakur, M.K, Parveen, R, Kandan, S, Hallur, M.S, Rajagopal, S, Ruf, S, Dhakshinamoorthy, S, Kannt, A, Gosu, R.
Deposit date:2017-10-10
Release date:2018-03-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A small molecule inhibitor of Nicotinamide N-methyltransferase for the treatment of metabolic disorders.
Sci Rep, 8, 2018
5YJF
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BU of 5yjf by Molmil
Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with small molecule analog of Nicotinamide
Descriptor: 6-methoxy-1-methyl-2H-pyridine-3-carboxamide, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Swaminathan, S, Birudukota, S, Thakur, M.K, Parveen, R, Kandan, S, Hallur, M.S, Rajagopal, S, Ruf, S, Dhakshinamoorthy, S, Kannt, A, Gosu, R.
Deposit date:2017-10-10
Release date:2018-03-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.49 Å)
Cite: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)
Descriptor: 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2H-indol-2-one, SULFATE ION, Transcription intermediary factor 1-alpha, ...
Authors:Poncet-Montange, G, Palmer, W, Jones, P.
Deposit date:2015-02-17
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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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BU of 4yad by Molmil
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)
Descriptor: 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide, CHLORIDE ION, GLYCEROL, ...
Authors:Poncet-Montange, G, Palmer, W, Jones, P.
Deposit date:2015-02-17
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite: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
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, ...
Authors:Brown, N.R, Korolchuk, S, Martin, M.P, Stanley, W, Moukhametzianov, R, Noble, M.E.M, Endicott, J.A.
Deposit date:2015-02-19
Release date:2016-04-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: Spike glycoprotein
Authors:Yang, B, Yan, L, Meng, B, WIlson, I.A.
Deposit date:2017-10-17
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.861 Å)
Cite: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)
Descriptor: ETHANOLAMINE, Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION
Authors:Wei, P.C, Song, G.J, Shi, M.Y, Zhou, Y.F, Liu, Y, Lei, J, Chen, P, Yin, L.
Deposit date:2017-10-17
Release date:2017-11-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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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BU of 4yb5 by Molmil
Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni in complex with the allosteric inhibitor histidine
Descriptor: ATP phosphoribosyltransferase, DI(HYDROXYETHYL)ETHER, HISTIDINE, ...
Authors:Mittelstaedt, G, Moggre, G.-J, Parker, E.J.
Deposit date:2015-02-18
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.24 Å)
Cite: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
Descriptor: 5'-AMP-activated protein kinase subunit beta-1, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), GLYCEROL, ...
Authors:Mobbs, J, Gorman, M.A, Parker, M.W, Gooley, P.R, Griffin, M.
Deposit date:2015-02-24
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Determinants of oligosaccharide specificity of the carbohydrate-binding modules of AMP-activated protein kinase.
Biochem.J., 468, 2015
4YEY
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BU of 4yey by Molmil
HUaa-20bp
Descriptor: DNA-binding protein HU-alpha, synthetic DNA strand
Authors:Hammel, M, Reyes, F.E, Parpana, R, Tainer, J.A, Adhya, S, Amlanjyoti, D.
Deposit date:2015-02-24
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.354 Å)
Cite:HU multimerization shift controls nucleoid compaction.
Sci Adv, 2, 2016
4YFH
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BU of 4yfh by Molmil
HU38-20bp
Descriptor: DNA-binding protein HU-alpha, synthetic DNA strand
Authors:Hammel, M, Reyes, F.E, Parpana, R, Tainer, J.A, Adhya, S, Amlanjyoti, D.
Deposit date:2015-02-25
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:HU multimerization shift controls nucleoid compaction.
Sci Adv, 2, 2016
4YH2
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BU of 4yh2 by Molmil
Glutathione Transferase E6 from Drosophila melanogaster
Descriptor: GLUTATHIONE, Glutathione S transferase E6
Authors:Wongsantichon, J, Robinson, R.C, Ketterman, A.J.
Deposit date:2015-02-26
Release date:2016-02-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite: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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BU of 4yro by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 5-bromo-6-methylpyridin-2-amine (Chem 491)
Descriptor: 1,2-ETHANEDIOL, 5-bromo-6-methylpyridin-2-amine, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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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BU of 5ys4 by Molmil
Crystal structure of retroviral protease-like domain of Ddi1 from Leishmania major
Descriptor: DNA-damage inducible protein DDI1-like protein
Authors:Suguna, K, Kumar, S.
Deposit date:2017-11-13
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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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BU of 4y5r by Molmil
Crystal Structure of a T67A MauG/pre-Methylamine Dehydrogenase Complex
Descriptor: CALCIUM ION, HEME C, Methylamine dehydrogenase heavy chain, ...
Authors:Li, C, Wilmot, C.M.
Deposit date:2015-02-11
Release date:2015-06-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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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BU of 4x5v by Molmil
Crystal structure of the post-catalytic nick complex of DNA polymerase lambda with a templating A and incorporated 8-oxo-dGMP
Descriptor: 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'), ...
Authors:Burak, M.J, Guja, K.E, Garcia-Diaz, M.
Deposit date:2014-12-05
Release date:2015-10-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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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BU of 4wun by Molmil
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
Descriptor: 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
Authors:Squire, C.J, Yosaatmadja, C.J.
Deposit date:2014-11-02
Release date:2014-11-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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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数据于2024-07-17公开中

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