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3MDL
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X-ray crystal structure of 1-arachidonoyl glycerol bound to the cyclooxygenase channel of cyclooxygenase-2
分子名称: (2S)-2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 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Vecchio, A.J, Malkowski, M.G.
登録日2010-03-30
公開日2011-04-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The structural basis of endocannabinoid oxygenation by cyclooxygenase-2.
J.Biol.Chem., 286, 2011
4DUI
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BU of 4dui by Molmil
DARPIN D1 binding to tubulin beta chain (not in complex)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, DESIGNED ANKYRIN REPEAT PROTEIN (DARPIN) D1
著者Pecqueur, L, Duellberg, C, Dreier, B, Wang, Q, Jiang, C, Pluckthun, A, Surrey, T, Gigant, B, Knossow, M.
登録日2012-02-22
公開日2013-02-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献An Anti-Tubulin Darpin Caps the Microtubule Plus-End
To be Published
4DQI
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BU of 4dqi by Molmil
Ternary complex of Bacillus DNA Polymerase I Large Fragment, DNA duplex, and dCTP (paired with dG of template)
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*C*AP*TP*GP*GP*GP*AP*GP*TP*CP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*(DOC))-3'), ...
著者Wang, W, Beese, L.S.
登録日2012-02-15
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural factors that determine selectivity of a high fidelity DNA polymerase for deoxy-, dideoxy-, and ribonucleotides.
J.Biol.Chem., 287, 2012
4DS5
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BU of 4ds5 by Molmil
Ternary complex of Bacillus DNA Polymerase I Large Fragment, DNA duplex, and rCTP in presence of Mg2+
分子名称: DNA (5'-D(*CP*AP*TP*GP*GP*GP*AP*GP*TP*CP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*C)-3'), DNA polymerase, ...
著者Wang, W, Beese, L.S.
登録日2012-02-17
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural factors that determine selectivity of a high fidelity DNA polymerase for deoxy-, dideoxy-, and ribonucleotides.
J.Biol.Chem., 287, 2012
4DZA
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BU of 4dza by Molmil
Crystal structure of a lysine racemase within internal aldimine linkage
分子名称: lysine racemase
著者Wang, W.C, Wu, H.M.
登録日2012-03-01
公開日2013-03-06
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structures of lysine-preferred racemases, the non-antibiotic selectable markers for transgenic plants
Plos One, 7, 2012
3ONZ
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BU of 3onz by Molmil
Human tetrameric hemoglobin: proximal nitrite ligand at beta
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRITE ION, ...
著者Yi, J, Thormas, L.M, Safo, M.K, Musayev, F.N, Richter-Addo, G.B.
登録日2010-08-30
公開日2011-09-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.087 Å)
主引用文献Crystallographic Trapping of Heme Loss Intermediates during the Nitrite-Induced Degradation of Human Hemoglobin.
Biochemistry, 50, 2011
4NST
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BU of 4nst by Molmil
Crystal structure of human Cdk12/Cyclin K in complex with ADP-aluminum fluoride
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, ...
著者Boesken, C.A, Farnung, L, Anand, K, Geyer, M.
登録日2013-11-29
公開日2014-03-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The structure and substrate specificity of human Cdk12/Cyclin K.
Nat Commun, 5, 2014
3OO5
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BU of 3oo5 by Molmil
R-state human hemoglobin: nitriheme modified
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRITE ION, ...
著者Yi, J, Thormas, L.M, Richter-Addo, G.B.
登録日2010-08-30
公開日2011-09-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallographic Trapping of Heme Loss Intermediates during the Nitrite-Induced Degradation of Human Hemoglobin.
Biochemistry, 50, 2011
4DKJ
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BU of 4dkj by Molmil
CpG specific methyltransferase in complex with target DNA
分子名称: Cytosine-specific methyltransferase, DNA (5'-D(*CP*CP*AP*CP*AP*TP*GP*(C37)P*GP*CP*TP*GP*AP*A)-3'), DNA (5'-D(*GP*TP*TP*CP*AP*GP*(5CM)P*GP*CP*AP*TP*GP*TP*G)-3'), ...
著者Wojciechowski, M, Czapinska, H, Bochtler, M.
登録日2012-02-03
公開日2012-12-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献CpG underrepresentation and the bacterial CpG-specific DNA methyltransferase M.MpeI.
Proc.Natl.Acad.Sci.USA, 110, 2013
7UJO
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BU of 7ujo by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with RU39411
分子名称: (9beta,11beta,17beta)-11-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1,3,5(10)-triene-3,17-diol, Estrogen receptor, MAGNESIUM ION
著者Hosfield, D.J, Greene, G.L, Fanning, S.W.
登録日2022-03-31
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.449 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
7UJF
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BU of 7ujf by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Methylated Lasofoxifene Derivative with Selective Estrogen Receptor Degrader Properties
分子名称: (5R,6S)-5-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor
著者Hosfield, D.J, Greene, G.L, Fanning, S.W.
登録日2022-03-30
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
7UJY
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BU of 7ujy by Molmil
Estrogen receptor alpha ligand binding domain Y537S mutant in complex with a methylated lasofoxifene derivative that enhances estrogen receptor alpha nuclear resonance time
分子名称: (5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor
著者Hosfield, D.J, Greene, G.L, Fanning, S.W.
登録日2022-03-31
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
7UJW
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BU of 7ujw by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with a Methylated Lasofoxifene Derivative that Possesses Selective Estrogen Receptor Degrader Activities
分子名称: (5R,6S)-5-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor
著者Hosfield, D.J, Greene, G.L, Fanning, S.W.
登録日2022-03-31
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
7UJM
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BU of 7ujm by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Methylated Lasofoxifene Derivative That Increases Receptor Resonance Time in the Nucleus of Breast Cancer Cells
分子名称: (5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor
著者Hosfield, D.J, Greene, G.L, Fanning, S.W.
登録日2022-03-31
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
4LDE
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BU of 4lde by Molmil
Structure of beta2 adrenoceptor bound to BI167107 and an engineered nanobody
分子名称: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Camelid Antibody Fragment, ...
著者Ring, A.M, Manglik, A, Kruse, A.C, Enos, M.D, Weis, W.I, Garcia, K.C, Kobilka, B.K.
登録日2013-06-24
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Adrenaline-activated structure of beta 2-adrenoceptor stabilized by an engineered nanobody.
Nature, 502, 2013
4LFQ
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BU of 4lfq by Molmil
High resolution x-ray crystal structure of L-ShK toxin
分子名称: Potassium channel toxin ShK
著者Dang, B, Kubota, T, Mandal, K, Bezanilla, F, Kent, S.B.H.
登録日2013-06-27
公開日2013-08-14
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.059 Å)
主引用文献Native Chemical Ligation at Asx-Cys, Glx-Cys: Chemical Synthesis and High-Resolution X-ray Structure of ShK Toxin by Racemic Protein Crystallography.
J.Am.Chem.Soc., 135, 2013
4LDL
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BU of 4ldl by Molmil
Structure of beta2 adrenoceptor bound to hydroxybenzylisoproterenol and an engineered nanobody
分子名称: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 4-[(1R)-1-hydroxy-2-{[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino}ethyl]benzene-1,2-diol, Camelid Antibody Fragment, ...
著者Ring, A.M, Manglik, A, Kruse, A.C, Enos, M.D, Weis, W.I, Garcia, K.C, Kobilka, B.K.
登録日2013-06-24
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Adrenaline-activated structure of beta 2-adrenoceptor stabilized by an engineered nanobody.
Nature, 502, 2013
2WTB
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BU of 2wtb by Molmil
Arabidopsis thaliana multifuctional protein, MFP2
分子名称: FATTY ACID MULTIFUNCTIONAL PROTEIN (ATMFP2)
著者Arent, S, Pye, V.E, Christensen, C.E, Norgaard, A, Henriksen, A.
登録日2009-09-15
公開日2010-05-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Multi-Functional Protein in Peroxisomal Beta-Oxidation. Structure and Substrate Specificity of the Arabidopsis Thaliana Protein, Mfp2
J.Biol.Chem., 285, 2010
7VVT
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BU of 7vvt by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with a covalent inhibitor
分子名称: 3C-like proteinase, N-(3-chlorophenyl)-2-[(2R)-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide
著者Su, H, Nie, T, Li, M, Xu, Y.
登録日2021-11-08
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献In silico screening-based discovery of novel covalent inhibitors of the SARS-CoV-2 3CL protease.
Eur.J.Med.Chem., 231, 2022
3G1R
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BU of 3g1r by Molmil
Crystal structure of human liver 5beta-reductase (AKR1D1) in complex with NADP and Finasteride. Resolution 1.70 A
分子名称: (4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide, 3-oxo-5-beta-steroid 4-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Di Costanzo, L, Drury, J.E, Penning, T.M, Christianson, D.W.
登録日2009-01-30
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Inhibition of human steroid 5beta-reductase (AKR1D1) by finasteride and structure of the enzyme-inhibitor complex.
J.Biol.Chem., 284, 2009
7U2A
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BU of 7u2a by Molmil
Cryo-electron microscopy structure of human mt-SerRS in complex with mt-tRNA (GCU)
分子名称: 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, RNA (38-MER), Serine--tRNA ligase, ...
著者Hirschi, M, Kuhle, B, Doerfel, L, Schimmel, P, Lander, G.
登録日2022-02-23
公開日2022-09-14
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural basis for shape-selective recognition and aminoacylation of a D-armless human mitochondrial tRNA.
Nat Commun, 13, 2022
7U2I
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BU of 7u2i by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with mRNA, aminoacylated A-site Gly-NH-tRNAgly, aminoacylated P-site fMet-NH-tRNAmet, deacylated E-site tRNAgly, and chloramphenicol at 2.55A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Syroegin, E.A, Aleksandrova, E.V, Polikanov, Y.S.
登録日2022-02-24
公開日2022-07-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural basis for the inability of chloramphenicol to inhibit peptide bond formation in the presence of A-site glycine.
Nucleic Acids Res., 50, 2022
4LDO
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BU of 4ldo by Molmil
Structure of beta2 adrenoceptor bound to adrenaline and an engineered nanobody
分子名称: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, Camelid Antibody Fragment, L-EPINEPHRINE, ...
著者Ring, A.M, Manglik, A, Kruse, A.C, Enos, M.D, Weis, W.I, Garcia, K.C, Kobilka, B.K.
登録日2013-06-24
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Adrenaline-activated structure of beta 2-adrenoceptor stabilized by an engineered nanobody.
Nature, 502, 2013
2W6V
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BU of 2w6v by Molmil
Structure of Human deoxy Hemoglobin A in complex with Xenon
分子名称: GLYCEROL, HEMOGLOBIN SUBUNIT ALPHA, HEMOGLOBIN SUBUNIT BETA, ...
著者Miele, A.E, Draghi, F, Sciara, G, Johnson, K.A, Renzi, F, Vallone, B, Brunori, M, Savino, C.
登録日2008-12-19
公開日2009-04-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Pattern of Cavities in Globins: The Case of Human Hemoglobin.
Biopolymers, 91, 2009
7VUF
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BU of 7vuf by Molmil
Crystal Structure of the core region of Thermus thermophilus MutS2.
分子名称: DI(HYDROXYETHYL)ETHER, Endonuclease MutS2, MAGNESIUM ION
著者Fukui, K, Yano, T.
登録日2021-11-02
公開日2022-04-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Structural and functional insights into the mechanism by which MutS2 recognizes a DNA junction.
Structure, 30, 2022

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