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7N6B
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BU of 7n6b by Molmil
Structure of MmpL3 reconstituted into lipid nanodisc in the TMM bound state
Descriptor: 6-O-[(2S)-2-{(1S)-18-[(1R,2R)-2-hexylcyclopropyl]-1-hydroxyoctadecyl}tricosanoyl]-alpha-D-glucopyranosyl alpha-D-glucopyranoside, MmpL3 transporter
Authors:Su, C.C, Yu, E.
Deposit date:2021-06-08
Release date:2021-09-01
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Structures of the mycobacterial membrane protein MmpL3 reveal its mechanism of lipid transport.
Plos Biol., 19, 2021
7NBW
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BU of 7nbw by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with a pyridin agonist
Descriptor: Transcriptional regulator MvfR, ~{N}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2021-01-28
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Divergent synthesis and biological evaluation of 2-(trifluoromethyl)pyridines as virulence-attenuating inverse agonists targeting PqsR.
Eur.J.Med.Chem., 226, 2021
7N1H
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BU of 7n1h by Molmil
CryoEM structure of Venezuelan equine encephalitis virus VLP in complex with the LDLRAD3 receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Capsid, ...
Authors:Basore, K, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-05-27
Release date:2021-10-13
Last modified:2021-11-10
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structure of Venezuelan equine encephalitis virus in complex with the LDLRAD3 receptor.
Nature, 598, 2021
7N1I
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BU of 7n1i by Molmil
CryoEM structure of Venezuelan equine encephalitis virus VLP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid, E1 envelope glycoprotein, ...
Authors:Basore, K, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-05-27
Release date:2021-10-13
Last modified:2021-11-10
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structure of Venezuelan equine encephalitis virus in complex with the LDLRAD3 receptor.
Nature, 598, 2021
7NDF
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BU of 7ndf by Molmil
Crystal structure of nanobody Nb_MsbA#1 in complex with the nucleotide binding domain of MsbA
Descriptor: Lipid A ABC transporter ATP-binding protein/permease MsbA, Nb_MsbA 1
Authors:Meier, G, Seeger, M.
Deposit date:2021-02-01
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The ABC transporter MsbA adopts the wide inward-open conformation in E. coli cells.
Sci Adv, 8, 2022
6Y54
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BU of 6y54 by Molmil
Crystal structure of a Neisseria meningitidis serogroup A capsular oligosaccharide bound to a functional Fab
Descriptor: 1,2-ETHANEDIOL, Fab A1.1 H chain, Fab A1.1 L chain, ...
Authors:Dello Iacono, L, Henriques, P, Adamo, R.
Deposit date:2020-02-24
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structure of a protective epitope reveals the importance of acetylation of Neisseria meningitidis serogroup A capsular polysaccharide.
Proc.Natl.Acad.Sci.USA, 117, 2020
6YCQ
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BU of 6ycq by Molmil
Crystal structure of the DNA binding domain of Arabidopsis thaliana Auxin Response Factor 1 (AtARF1) in complex with High Affinity DNA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 21-7A, 21-7B, ...
Authors:Crespo, I, Weijers, D, Boer, D.R.
Deposit date:2020-03-18
Release date:2020-09-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Architecture of DNA elements mediating ARF transcription factor binding and auxin-responsive gene expression in Arabidopsis .
Proc.Natl.Acad.Sci.USA, 117, 2020
6YCV
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BU of 6ycv by Molmil
2'-F-riboguanosine and LNA modified hybrid type G-quadruplex with V-loop
Descriptor: DNA (5'-D(*GP*GP*GP*AP*TP*GP*GP*GP*AP*CP*AP*CP*AP*(GF2))-R(P*(LCG))-D(P*GP*GP*AP*CP*GP*GP*G)-3')
Authors:Weisz, K, Haase, L.
Deposit date:2020-03-19
Release date:2020-09-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Locked nucleic acid building blocks as versatile tools for advanced G-quadruplex design.
Nucleic Acids Res., 48, 2020
6YEP
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BU of 6yep by Molmil
LNA modified G-quadruplex with flipped G-tract and central tetrad
Descriptor: DNA (5'-D(*GP*GP*GP*AP*TP*GP*GP*GP*AP*CP*AP*CP*AP*G)-R(P*(LCG))-D(P*GP*GP*AP*CP*GP*GP*G)-3')
Authors:Weisz, K, Haase, L.
Deposit date:2020-03-25
Release date:2020-09-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Locked nucleic acid building blocks as versatile tools for advanced G-quadruplex design.
Nucleic Acids Res., 48, 2020
7O1D
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BU of 7o1d by Molmil
A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.7
Descriptor: BH32.7 protein
Authors:Levy, C.W.
Deposit date:2021-03-29
Release date:2021-11-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Engineering an efficient and enantioselective enzyme for the Morita-Baylis-Hillman reaction.
Nat.Chem., 14, 2022
7NX5
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BU of 7nx5 by Molmil
Crystal structure of the Epstein-Barr Virus protein ZEBRA (BZLF1, Zta) bound to a methylated DNA duplex
Descriptor: Trans-activator protein BZLF1, meZRE2 DNA (bottom strand), meZRE2 DNA (top strand)
Authors:Bernaudat, F, Petosa, C.
Deposit date:2021-03-17
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of DNA methylation-dependent site selectivity of the Epstein-Barr virus lytic switch protein ZEBRA/Zta/BZLF1.
Nucleic Acids Res., 50, 2022
6Z9B
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BU of 6z9b by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with AOPCP derivative A830 (compound 16 in publication) in the closed form (crystal form III)
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Strater, N, Scaletti, E.
Deposit date:2020-06-03
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Discovery of AB680: A Potent and Selective Inhibitor of CD73.
J.Med.Chem., 63, 2020
6Z9D
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BU of 6z9d by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with AOPCP derivative AB680 (compound 55 in publication) in the closed form (crystal form III)
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Strater, N.
Deposit date:2020-06-03
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of AB680: A Potent and Selective Inhibitor of CD73.
J.Med.Chem., 63, 2020
7OVD
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BU of 7ovd by Molmil
Human soluble adenylyl cyclase in complex with the inhibitor TDI10229
Descriptor: 1,2-ETHANEDIOL, 4-chloranyl-6-[1,5-dimethyl-4-(phenylmethyl)pyrazol-3-yl]pyrimidin-2-amine, ACETATE ION, ...
Authors:Steegborn, C, Quast, J.
Deposit date:2021-06-14
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of TDI-10229: A Potent and Orally Bioavailable Inhibitor of Soluble Adenylyl Cyclase (sAC, ADCY10).
Acs Med.Chem.Lett., 12, 2021
7P4S
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BU of 7p4s by Molmil
BROMODOMAIN OF HUMAN TAF1 (2) WITH naphthyridinone compound
Descriptor: 8-[[1-(3-azanylpropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)pyridin-3-yl]-3-methyl-1~{H}-1,7-naphthyridin-2-one, Isoform 2a of Transcription initiation factor TFIID subunit 1
Authors:Chung, C.
Deposit date:2021-07-13
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Optimization of Naphthyridones into Selective TATA-Binding Protein Associated Factor 1 (TAF1) Bromodomain Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7OM4
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BU of 7om4 by Molmil
Nanobody EgB4 bound to the full extracellular EGFR-EGF complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor, Epidermal growth factor receptor, ...
Authors:Zeronian, M.R, Janssen, B.J.C.
Deposit date:2021-05-21
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (6.05 Å)
Cite:Structural insights into the non-inhibitory mechanism of the anti-EGFR EgB4 nanobody.
Bmc Mol Cell Biol, 23, 2022
7P3I
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BU of 7p3i by Molmil
Crystal structure of human CD40/TNFRSF5 in complex with the anti-CD40 DARPin protein
Descriptor: Darpin, SODIUM ION, Tumor necrosis factor receptor superfamily member 5
Authors:Malvezzi, F, Mangold, S, Hospodarsch, T, Reichen, C, Iss, C, Lammens, A, Krapp, S, Domke, C.
Deposit date:2021-07-07
Release date:2022-04-06
Last modified:2022-05-11
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:A Multispecific Anti-CD40 DARPin Construct Induces Tumor-Selective CD40 Activation and Tumor Regression.
Cancer Immunol Res, 10, 2022
7P5Z
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BU of 7p5z by Molmil
Structure of a DNA-loaded MCM double hexamer engaged with the Dbf4-dependent kinase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 7, ...
Authors:Greiwe, J.F, Miller, T.C.R, Martino, F, Costa, A.
Deposit date:2021-07-15
Release date:2022-02-02
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural mechanism for the selective phosphorylation of DNA-loaded MCM double hexamers by the Dbf4-dependent kinase.
Nat.Struct.Mol.Biol., 29, 2022
7P30
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BU of 7p30 by Molmil
3.0 A resolution structure of a DNA-loaded MCM double hexamer
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA (53-MER), ...
Authors:Greiwe, J.F, Miller, T.C.R, Martino, F, Costa, A.
Deposit date:2021-07-06
Release date:2022-02-02
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural mechanism for the selective phosphorylation of DNA-loaded MCM double hexamers by the Dbf4-dependent kinase.
Nat.Struct.Mol.Biol., 29, 2022
6Z1L
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BU of 6z1l by Molmil
A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.12
Descriptor: 1,2-ETHANEDIOL, BH32.12 protein, PHOSPHATE ION
Authors:Levy, C.W.
Deposit date:2020-05-13
Release date:2021-08-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Engineering an efficient and enantioselective enzyme for the Morita-Baylis-Hillman reaction.
Nat.Chem., 14, 2022
6Z1K
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BU of 6z1k by Molmil
A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.6
Descriptor: 1,2-ETHANEDIOL, BH32.6 protein, CALCIUM ION, ...
Authors:Levy, C.W.
Deposit date:2020-05-13
Release date:2021-08-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Engineering an efficient and enantioselective enzyme for the Morita-Baylis-Hillman reaction.
Nat.Chem., 14, 2022
6XP9
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BU of 6xp9 by Molmil
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC co-activator peptide IN COMPLEX WITH (S,S)-1
Descriptor: (2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid, GLYCEROL, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 fusion
Authors:Khan, J.A.
Deposit date:2020-07-08
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structure-based amelioration of PXR transactivation in a novel series of macrocyclic allosteric inhibitors of HIV-1 integrase.
Bioorg.Med.Chem.Lett., 30, 2020
7OGT
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BU of 7ogt by Molmil
Folded elbow of cohesin
Descriptor: Structural maintenance of chromosomes protein 1, Structural maintenance of chromosomes protein 3
Authors:Lee, B.-G, Gonzalez Llamazares, A, Collier, J, Patele, N.J, Nasmyth, K.A, Lowe, J.
Deposit date:2021-05-07
Release date:2021-07-28
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (5.5 Å)
Cite:Folding of cohesin's coiled coil is important for Scc2/4-induced association with chromosomes.
Elife, 10, 2021
7AD3
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BU of 7ad3 by Molmil
Class D GPCR Ste2 dimer coupled to two G proteins
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-factor mating pheromone, CHOLESTEROL HEMISUCCINATE, ...
Authors:Velazhahan, V, Tate, C.
Deposit date:2020-09-14
Release date:2020-12-09
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of the class D GPCR Ste2 dimer coupled to two G proteins.
Nature, 589, 2021
7PKO
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BU of 7pko by Molmil
CryoEM structure of Rotavirus NSP2
Descriptor: Non-structural protein 2
Authors:Bravo, J.P.K, Borodavka, A.
Deposit date:2021-08-26
Release date:2021-09-29
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis of rotavirus RNA chaperone displacement and RNA annealing.
Proc.Natl.Acad.Sci.USA, 118, 2021

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數據於2024-07-17公開中

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