6JVQ
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![BU of 6jvq by Molmil](/molmil-images/mine/6jvq) | Crystal structure of human MTH1 in complex with compound MI1025 | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine | 著者 | Peng, C, Li, Y.H, Cheng, Y.S. | 登録日 | 2019-04-17 | 公開日 | 2020-10-28 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.197 Å) | 主引用文献 | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
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6HMK
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![BU of 6hmk by Molmil](/molmil-images/mine/6hmk) | POLYADPRIBOSYL GLYCOHYDROLASE IN COMPLEX WITH PDD00016690 | 分子名称: | 1-methyl-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Tucker, J.A, Barkauskaite, E. | 登録日 | 2018-09-12 | 公開日 | 2018-11-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides. J.Med.Chem., 61, 2018
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6HTE
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![BU of 6hte by Molmil](/molmil-images/mine/6hte) | |
2WGO
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![BU of 2wgo by Molmil](/molmil-images/mine/2wgo) | Structure of ranaspumin-2, a surfactant protein from the foam nests of a tropical frog | 分子名称: | RANASPUMIN-2 | 著者 | Mackenzie, C.D, Smith, B.O, Kennedy, M.W, Cooper, A. | 登録日 | 2009-04-21 | 公開日 | 2009-06-23 | 最終更新日 | 2011-07-13 | 実験手法 | SOLUTION NMR | 主引用文献 | Ranaspumin-2: Structure and Function of a Surfactant Protein from the Foam Nests of a Tropical Frog. Biophys.J., 96, 2009
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6KUF
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![BU of 6kuf by Molmil](/molmil-images/mine/6kuf) | Crystal structure of barley exohydrolaseI W434A mutant in complex with glucose. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ... | 著者 | Luang, S, Streltsov, V.A, Hrmova, M. | 登録日 | 2019-09-02 | 公開日 | 2020-09-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases. Nat Commun, 13, 2022
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6L1J
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![BU of 6l1j by Molmil](/molmil-images/mine/6l1j) | Crystal structure of barley exohydrolaseI W434A mutant in complex with 4'-nitrophenyl thiolaminaritrioside | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE, ACETATE ION, ... | 著者 | Luang, S, Streltsov, V.A, Hrmova, M. | 登録日 | 2019-09-29 | 公開日 | 2020-09-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases. Nat Commun, 13, 2022
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6JGE
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![BU of 6jge by Molmil](/molmil-images/mine/6jge) | Crystal structure of barley exohydrolaseI W434A mutant in complex with methyl 2-thio-beta-sophoroside. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, GLYCEROL, ... | 著者 | Luang, S, Streltsov, V.A, Hrmova, M. | 登録日 | 2019-02-13 | 公開日 | 2020-08-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases. Nat Commun, 13, 2022
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6JGN
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![BU of 6jgn by Molmil](/molmil-images/mine/6jgn) | Crystal structure of barley exohydrolaseI W434H in complex with 4'-nitrophenyl thiolaminaribioside | 分子名称: | 4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ... | 著者 | Luang, S, Streltsov, V.A, Hrmova, M. | 登録日 | 2019-02-14 | 公開日 | 2020-08-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases. Nat Commun, 13, 2022
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6JO2
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![BU of 6jo2 by Molmil](/molmil-images/mine/6jo2) | Ferredoxin I from Thermosynechococcus elongatus | 分子名称: | BENZAMIDINE, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin-1, ... | 著者 | Motomura, T. | 登録日 | 2019-03-19 | 公開日 | 2019-09-18 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | An alternative plant-like cyanobacterial ferredoxin with unprecedented structural and functional properties. Biochim Biophys Acta Bioenerg, 1860, 2019
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6JG7
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![BU of 6jg7 by Molmil](/molmil-images/mine/6jg7) | Crystal structure of barley exohydrolaseI W286F in complex with methyl 2-thio-beta-sophoroside | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, GLYCEROL, ... | 著者 | Luang, S, Streltsov, V.A, Hrmova, M. | 登録日 | 2019-02-13 | 公開日 | 2020-08-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases. Nat Commun, 13, 2022
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6JVI
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![BU of 6jvi by Molmil](/molmil-images/mine/6jvi) | Crystal structure of human MTH1 in complex with compound MI0861 | 分子名称: | (4R)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | 著者 | Peng, C, Cheng, Y.S. | 登録日 | 2019-04-17 | 公開日 | 2020-10-28 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.249 Å) | 主引用文献 | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
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6JVP
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![BU of 6jvp by Molmil](/molmil-images/mine/6jvp) | Crystal structure of human MTH1 in complex with compound MI1024 | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-6-piperidin-1-yl-pyrimidine-2,4-diamine | 著者 | Peng, C, Li, Y.H, Cheng, Y.S. | 登録日 | 2019-04-17 | 公開日 | 2020-10-28 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.206 Å) | 主引用文献 | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
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6I28
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![BU of 6i28 by Molmil](/molmil-images/mine/6i28) | Crystal Structure of Cydia Pomonella PTP-2 phosphatase | 分子名称: | CALCIUM ION, GLYCEROL, ORF98 PTP-2 | 著者 | Huang, G, Keown, J.P, Oliver, M.R, Metcalf, P. | 登録日 | 2018-10-31 | 公開日 | 2019-02-20 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal structure of protein tyrosine phosphatase-2 from Cydia pomonella granulovirus. Acta Crystallogr.,Sect.F, 75, 2019
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6JGR
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![BU of 6jgr by Molmil](/molmil-images/mine/6jgr) | Crystal structure of barley exohydrolaseI W434Y in complex with 4'-nitrophenyl thiolaminaribioside | 分子名称: | 4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ... | 著者 | Luang, S, Streltsov, V.A, Hrmova, M. | 登録日 | 2019-02-14 | 公開日 | 2020-08-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases. Nat Commun, 13, 2022
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6LC5
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![BU of 6lc5 by Molmil](/molmil-images/mine/6lc5) | Crystal structure of barley exohydrolaseI W434F in complex with 4'-nitrophenyl thiolaminaribioside | 分子名称: | (2~{R},3~{S},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-oxane-2,3,5-triol, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | 著者 | Luang, S, Streltsov, V.A, Hrmova, M. | 登録日 | 2019-11-17 | 公開日 | 2020-09-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases. Nat Commun, 13, 2022
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1DQS
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![BU of 1dqs by Molmil](/molmil-images/mine/1dqs) | CRYSTAL STRUCTURE OF DEHYDROQUINATE SYNTHASE (DHQS) COMPLEXED WITH CARBAPHOSPHONATE, NAD+ AND ZN2+ | 分子名称: | CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (3-DEHYDROQUINATE SYNTHASE), ... | 著者 | Carpenter, E.P, Hawkins, A.R, Frost, J.W, Brown, K.A. | 登録日 | 1998-04-09 | 公開日 | 1999-07-26 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure of dehydroquinate synthase reveals an active site capable of multistep catalysis. Nature, 394, 1998
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4X7H
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![BU of 4x7h by Molmil](/molmil-images/mine/4x7h) | Co-crystal Structure of PERK bound to N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazole-4-carboxamide inhibitor | 分子名称: | Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazole-4-carboxamide, SULFATE ION | 著者 | Shaffer, P.L, Bellon, S.F, Long, A.M, Chen, H. | 登録日 | 2014-12-09 | 公開日 | 2015-02-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK). J.Med.Chem., 58, 2015
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4X7L
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![BU of 4x7l by Molmil](/molmil-images/mine/4x7l) | Co-crystal Structure of PERK bound to 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor | 分子名称: | 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL, ... | 著者 | Shaffer, P.L, Long, A.M, Chen, H. | 登録日 | 2014-12-09 | 公開日 | 2015-01-28 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK). J.Med.Chem., 58, 2015
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4X7V
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![BU of 4x7v by Molmil](/molmil-images/mine/4x7v) | MycF mycinamicin III 3'-O-methyltransferase (E35Q, E139A variant) in complex with Mg, SAH and mycinamicin IV (product) | 分子名称: | MAGNESIUM ION, MYCINAMICIN IV, Mycinamicin III 3''-O-methyltransferase, ... | 著者 | Bernard, S.M, Smith, J.L. | 登録日 | 2014-12-09 | 公開日 | 2015-03-04 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases. Acs Chem.Biol., 10, 2015
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4XMP
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![BU of 4xmp by Molmil](/molmil-images/mine/4xmp) | Crystal structure of broadly and potently neutralizing antibody VRC08 in complex with HIV-1 clade A strain Q842.d12 gp120 | 分子名称: | (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160,Envelope glycoprotein gp160,Envelope glycoprotein gp160, ... | 著者 | Zhou, T, Srivatsan, S, Kwong, P.D. | 登録日 | 2015-01-15 | 公開日 | 2015-04-29 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.7831 Å) | 主引用文献 | Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection. Cell, 161, 2015
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4XNR
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![BU of 4xnr by Molmil](/molmil-images/mine/4xnr) | Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized by Position-selective Labeling of RNA (PLOR), in Complex with Adenine | 分子名称: | ADENINE, MAGNESIUM ION, Vibrio Vulnificus Adenine Riboswitch | 著者 | Zhang, J, Liu, Y, Wang, Y.-X, Ferre-D'Amare, A.R. | 登録日 | 2015-01-16 | 公開日 | 2015-05-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Synthesis and applications of RNAs with position-selective labelling and mosaic composition. Nature, 522, 2015
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4XT3
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![BU of 4xt3 by Molmil](/molmil-images/mine/4xt3) | Structure of a viral GPCR bound to human chemokine CX3CL1 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fractalkine, G-protein coupled receptor homolog US28, ... | 著者 | Burg, J.S, Jude, K.M, Waghray, D, Garcia, K.C. | 登録日 | 2015-01-22 | 公開日 | 2015-03-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.801 Å) | 主引用文献 | Structural biology. Structural basis for chemokine recognition and activation of a viral G protein-coupled receptor. Science, 347, 2015
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4XNZ
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![BU of 4xnz by Molmil](/molmil-images/mine/4xnz) | Crystal structure of broadly and potently neutralizing antibody VRC06B in complex with HIV-1 clade A/E strain 93TH057 gp120 | 分子名称: | 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, Envelope glycoprotein gp160,Envelope glycoprotein gp160, ... | 著者 | Zhou, T, Srivatsan, S, Kwong, P.D. | 登録日 | 2015-01-16 | 公開日 | 2015-04-29 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.389 Å) | 主引用文献 | Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection. Cell, 161, 2015
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4XNY
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![BU of 4xny by Molmil](/molmil-images/mine/4xny) | Crystal structure of broadly and potently neutralizing antibody VRC08C in complex with HIV-1 clade A strain Q842.d12 gp120 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160,Envelope glycoprotein gp160,Envelope glycoprotein gp160, HEAVY CHAIN OF ANTIBODY VRC08C, ... | 著者 | Zhou, T, Srivatsan, S, Kwong, P.D. | 登録日 | 2015-01-16 | 公開日 | 2015-04-29 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection. Cell, 161, 2015
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4XT1
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![BU of 4xt1 by Molmil](/molmil-images/mine/4xt1) | Structure of a nanobody-bound viral GPCR bound to human chemokine CX3CL1 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, Fractalkine, ... | 著者 | Burg, J.S, Jude, K.M, Waghray, D, Garcia, K.C. | 登録日 | 2015-01-22 | 公開日 | 2015-03-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.886 Å) | 主引用文献 | Structural biology. Structural basis for chemokine recognition and activation of a viral G protein-coupled receptor. Science, 347, 2015
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