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5N2R
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Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with PSB36 at 2.8A resolution
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-butyl-3-[(~{E})-3-oxidanylprop-1-enyl]-8-[(1~{R},5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione, Adenosine receptor A2a,Soluble cytochrome b562,ADENOSINE RECEPTOR A2A SOLUBLE CYTOCHROME B562 ADENOSINE RECEPTOR A2A,Adenosine receptor A2a, ...
Authors:Cheng, R.K.Y, Segala, E, Robertson, N, Deflorian, F, Dore, A.S, Errey, J.C, Fiez-Vandal, C, Marshall, F.H, Cooke, R.M.
Deposit date:2017-02-08
Release date:2017-07-26
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of Human A1 and A2A Adenosine Receptors with Xanthines Reveal Determinants of Selectivity.
Structure, 25, 2017
5N8W
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CRYSTAL STRUCTURE OF STREPTAVIDIN with D-amino acid containing peptide GGwhdeatwkpG
Descriptor: GLY-GLY-DTR-DHI-DAS-DGL-DAL-DTH-DTR-DLY, Streptavidin
Authors:Lyamichev, V, Goodrich, L, Sullivan, E, Bannen, R, Benz, J, Albert, T, Patel, J.
Deposit date:2017-02-24
Release date:2017-10-04
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Stepwise Evolution Improves Identification of Diverse Peptides Binding to a Protein Target.
Sci Rep, 7, 2017
5K2C
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1.9 angstrom A2a adenosine receptor structure with sulfur SAD phasing and phase extension using XFEL data
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a/Soluble cytochrome b562 chimera, ...
Authors:Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2016-05-18
Release date:2016-09-21
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
5M5E
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BU of 5m5e by Molmil
Crystal structure of a interleukin-2 variant in complex with interleukin-2 receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ...
Authors:Klein, C, Freimoser-Grundschober, A, Waldhauer, I, Stihle, M, Birk, M, Benz, J.
Deposit date:2016-10-21
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cergutuzumab amunaleukin (CEA-IL2v), a CEA-targeted IL-2 variant-based immunocytokine for combination cancer immunotherapy: Overcoming limitations of aldesleukin and conventional IL-2-based immunocytokines.
Oncoimmunology, 6, 2017
5LZB
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Structure of SelB-Sec-tRNASec bound to the 70S ribosome in the initial binding state (IB)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Fischer, N, Neumann, P, Bock, L.V, Maracci, C, Wang, Z, Paleskava, A, Konevega, A.L, Schroeder, G.F, Grubmueller, H, Ficner, R, Rodnina, M.V, Stark, H.
Deposit date:2016-09-29
Release date:2016-11-23
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (5.3 Å)
Cite:The pathway to GTPase activation of elongation factor SelB on the ribosome.
Nature, 540, 2016
5JJR
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BU of 5jjr by Molmil
Dengue 3 NS5 protein with compound 29
Descriptor: 1,2-ETHANEDIOL, 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-N-[(quinolin-8-yl)sulfonyl]benzamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Lescar, J, El Sahili, A.
Deposit date:2016-04-25
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
5M1I
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Structure of GH36 alpha-galactosidase from Thermotoga maritima in a covalent complex with a cyclopropyl carbasugar.
Descriptor: (1~{R},2~{S},3~{S},4~{S},6~{R})-4-fluoranyl-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3-diol, 1,2-ETHANEDIOL, Alpha-galactosidase, ...
Authors:Pengelly, R, Gloster, T.
Deposit date:2016-10-07
Release date:2016-11-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Snapshots for Mechanism-Based Inactivation of a Glycoside Hydrolase by Cyclopropyl Carbasugars.
Angew.Chem.Int.Ed.Engl., 55, 2016
5JJS
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BU of 5jjs by Molmil
Dengue 3 NS5 protein with compound 27
Descriptor: 1,2-ETHANEDIOL, 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-{[(1R,3R)-3-methoxycyclohexyl]sulfonyl}benzamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Lescar, J, El Sahili, A.
Deposit date:2016-04-25
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
5ME6
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BU of 5me6 by Molmil
Crystal Structure of eiF4E from C. melo bound to a CAP analog
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Eukaryotic transcription initiation factor 4E
Authors:Querol-Audi, J, Silva, C, Miras, M, Aranda-Regules, M, Verdaguer, N.
Deposit date:2016-11-14
Release date:2017-08-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of eIF4E in Complex with an eIF4G Peptide Supports a Universal Bipartite Binding Mode for Protein Translation.
Plant Physiol., 174, 2017
5MHN
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FXIIIa in complex with the inhibitor ZED2360
Descriptor: CALCIUM ION, Coagulation factor XIII A chain, GLYCEROL, ...
Authors:Stieler, M, Heine, A, Klebe, G.
Deposit date:2016-11-24
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:FXIIIa in complex with the inhibitor Mi0621
To Be Published
5JL7
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BU of 5jl7 by Molmil
HUMAN PLACENTAL AROMATASE CYTOCHROME P450 (CYP19A1): ANDROSTENEDIONE COMPLEX #3
Descriptor: 4-ANDROSTENE-3-17-DIONE, Aromatase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ghosh, D, Lo, J, Egbuta, C.
Deposit date:2016-04-26
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Testosterone complex and non-steroidal ligands of human aromatase.
J. Steroid Biochem. Mol. Biol., 2018
5MIV
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BU of 5miv by Molmil
G307E variant of murine Apoptosis Inducing Factor in complex with NAD+
Descriptor: Apoptosis-inducing factor 1, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Sorrentino, L, Cossu, F, Aliverti, A, Milani, M, Mastrangelo, E.
Deposit date:2016-11-29
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural bases of the altered catalytic properties of a pathogenic variant of apoptosis inducing factor.
Biochem. Biophys. Res. Commun., 490, 2017
5JLZ
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BU of 5jlz by Molmil
Crystal structure of HLA-DRB1*04:01 in complex with modified alpha-enolase peptide 26-40 with citrulline at the position 32
Descriptor: Alpha-enolase, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:Dubnovitsky, A, Kozhukh, G, Sandalova, T, Achour, A.
Deposit date:2016-04-28
Release date:2016-12-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Functional and Structural Characterization of a Novel HLA-DRB1*04:01-Restricted alpha-Enolase T Cell Epitope in Rheumatoid Arthritis.
Front Immunol, 7, 2016
5J2M
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BU of 5j2m by Molmil
HIV-1 reverse transcriptase in complex with DNA and EFdA-triphosphate, a translocation-defective RT inhibitor
Descriptor: 2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(tetrahydrogen triphosphate), DNA (27-MER), DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'), ...
Authors:Salie, Z.L, Kirby, K.A, Sarafianos, S.G.
Deposit date:2016-03-29
Release date:2016-08-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.432 Å)
Cite:Structural basis of HIV inhibition by translocation-defective RT inhibitor 4'-ethynyl-2-fluoro-2'-deoxyadenosine (EFdA).
Proc.Natl.Acad.Sci.USA, 113, 2016
5IY7
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BU of 5iy7 by Molmil
Human holo-PIC in the open state
Descriptor: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB10, DNA-directed RNA polymerase II subunit RPB11-a, ...
Authors:He, Y, Yan, C, Fang, J, Inouye, C, Tjian, R, Ivanov, I, Nogales, E.
Deposit date:2016-03-24
Release date:2016-05-18
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (8.6 Å)
Cite:Near-atomic resolution visualization of human transcription promoter opening.
Nature, 533, 2016
5MX2
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BU of 5mx2 by Molmil
Photosystem II depleted of the Mn4CaO5 cluster at 2.55 A resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Zhang, M, Bommer, M, Chatterjee, R, Hussain, R, Kern, J, Yano, J, Dau, H, Dobbek, H, Zouni, A.
Deposit date:2017-01-20
Release date:2017-08-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:Structural insights into the light-driven auto-assembly process of the water-oxidizing Mn4CaO5-cluster in photosystem II.
Elife, 6, 2017
5J2P
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BU of 5j2p by Molmil
HIV-1 reverse transcriptase in complex with DNA that has incorporated EFdA-MP at the P-(post-translocation) site and a second EFdA-MP at the N-(pre-translocation) site
Descriptor: 2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate), DNA (27-MER), DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(6FM)P*(6FM))-3'), ...
Authors:Salie, Z.L, Kirby, K.A, Sarafianos, S.G.
Deposit date:2016-03-29
Release date:2016-08-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural basis of HIV inhibition by translocation-defective RT inhibitor 4'-ethynyl-2-fluoro-2'-deoxyadenosine (EFdA).
Proc.Natl.Acad.Sci.USA, 113, 2016
5J3V
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BU of 5j3v by Molmil
Crystal structure of human Karyopherin-beta2 bound to the histone H3 tail
Descriptor: Histone H3, Transportin-1,Transportin-1
Authors:Soniat, M, Chook, Y.M.
Deposit date:2016-03-31
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Karyopherin-beta 2 Recognition of a PY-NLS Variant that Lacks the Proline-Tyrosine Motif.
Structure, 24, 2016
5MZG
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BU of 5mzg by Molmil
Crystal structure of mouse MTH1 in complex with TH588
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine, SULFATE ION, ...
Authors:Narwal, M, Jemth, A.-S, Helleday, T, Stenmark, P.
Deposit date:2017-01-31
Release date:2018-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity.
Biochemistry, 57, 2018
5MZJ
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Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with theophylline at 2.0A resolution
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ...
Authors:Cheng, R.K.Y, Segala, E, Robertson, N, Deflorian, F, Dore, A.S, Errey, J.C, Fiez-Vandal, C, Marshall, F.H, Cooke, R.M.
Deposit date:2017-01-31
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Human A1 and A2A Adenosine Receptors with Xanthines Reveal Determinants of Selectivity.
Structure, 25, 2017
5MZR
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BU of 5mzr by Molmil
X-ray structure of the H235Q mutant of GLIC in complex with propofol
Descriptor: 2,6-BIS(1-METHYLETHYL)PHENOL, ACETATE ION, CHLORIDE ION, ...
Authors:Fourati, Z, Delarue, M.
Deposit date:2017-02-01
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:X-ray structure of the H235Q mutant of GLIC in complex with propofol
To Be Published
5J8C
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Human MOF C316S, E350Q crystal structure
Descriptor: CHLORIDE ION, Histone acetyltransferase KAT8, SODIUM ION, ...
Authors:McCullough, C.E, Marmorstein, R.
Deposit date:2016-04-07
Release date:2016-07-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural and Functional Role of Acetyltransferase hMOF K274 Autoacetylation.
J.Biol.Chem., 291, 2016
5J8F
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BU of 5j8f by Molmil
Human MOF K274P crystal structure
Descriptor: CHLORIDE ION, Histone acetyltransferase KAT8, ZINC ION
Authors:McCullough, C.E, Marmorstein, R.
Deposit date:2016-04-07
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Functional Role of Acetyltransferase hMOF K274 Autoacetylation.
J.Biol.Chem., 291, 2016
5N8T
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BU of 5n8t by Molmil
CRYSTAL STRUCTURE OF STREPTAVIDIN D-amino acid containing peptide Gdlwqheatwkkq
Descriptor: DLE-DTR-DGN-DHI-DGL-DAL-DTH-DTR-DLY, Streptavidin
Authors:Lyamichev, V, Goodrich, L, Sullivan, E, Bannen, R, Benz, J, Albert, T, Patel, J.
Deposit date:2017-02-24
Release date:2017-10-04
Last modified:2022-12-07
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Stepwise Evolution Improves Identification of Diverse Peptides Binding to a Protein Target.
Sci Rep, 7, 2017
5N6H
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Structure of the membrane integral lipoprotein N-acyltransferase Lnt from E. coli
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apolipoprotein N-acyltransferase, GLYCEROL
Authors:Huang, C.-Y, Boland, C, Howe, N, Wiktor, M, Vogeley, L, Weichert, D, Bailey, J, Olieric, V, Wang, M, Caffrey, M.
Deposit date:2017-02-15
Release date:2017-07-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural insights into the mechanism of the membrane integral N-acyltransferase step in bacterial lipoprotein synthesis.
Nat Commun, 8, 2017

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數據於2024-07-31公開中

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