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8DW1
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BU of 8dw1 by Molmil
Crystal structure of a host-guest complex with 5'-CTTAGTTATAACTAAG-3'
Descriptor: DNA (5'-D(*CP*TP*TP*AP*GP*TP*TP*A)-3'), DNA (5'-D(P*TP*AP*AP*CP*TP*AP*AP*G)-3'), reverse transcriptase
Authors:Georgiadis, M.M.
Deposit date:2022-07-30
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Two distinct rotations of bithiazole DNA intercalation revealed by direct comparison of crystal structures of Co(III)•bleomycin A 2 and B 2 bound to duplex 5'-TAGTT sites.
Bioorg.Med.Chem., 77, 2023
8DVX
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BU of 8dvx by Molmil
Structure of acetylated Pig somatic Cytochrome c (Aly39) at 1.5A
Descriptor: Cytochrome c, HEME C, HEXACYANOFERRATE(3-)
Authors:Edwards, B.F.P, Huettemann, M, Vaishnav, A, Brunzelle, J, Morse, P, Wan, J.
Deposit date:2022-07-30
Release date:2023-07-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Cytochrome c lysine acetylation regulates cellular respiration and cell death in ischemic skeletal muscle.
Nat Commun, 14, 2023
7YNE
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BU of 7yne by Molmil
Crystal structure of fragmin domain-1 (1-160) in complex with G-form actin
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Takeda, S.
Deposit date:2022-07-30
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structures and mechanisms of actin ATP hydrolysis.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DVN
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BU of 8dvn by Molmil
Crystal structure of LRP6 E3E4 in complex with disulfide constrained peptide E3.10
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:Thakur, A.K, Liau, N.P.D, Sudhamsu, J, Hannoush, R.N.
Deposit date:2022-07-29
Release date:2023-03-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Synthetic Multivalent Disulfide-Constrained Peptide Agonists Potentiate Wnt1/ beta-Catenin Signaling via LRP6 Coreceptor Clustering.
Acs Chem.Biol., 18, 2023
8DVL
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BU of 8dvl by Molmil
Crystal structure of LRP6 E3E4 in complex with disulfide constrained peptide E3.18
Descriptor: 1,2-ETHANEDIOL, 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:Thakur, A.K, Liau, N.P.D, Sudhamsu, J, Hannoush, R.N.
Deposit date:2022-07-29
Release date:2023-03-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Synthetic Multivalent Disulfide-Constrained Peptide Agonists Potentiate Wnt1/ beta-Catenin Signaling via LRP6 Coreceptor Clustering.
Acs Chem.Biol., 18, 2023
8DVM
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BU of 8dvm by Molmil
Crystal structure of LRP6 E3E4 in complex with disulfide constrained peptide E3.6
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Thakur, A.K, Liau, N.P.D, Sudhamsu, J, Hannoush, R.N.
Deposit date:2022-07-29
Release date:2023-03-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synthetic Multivalent Disulfide-Constrained Peptide Agonists Potentiate Wnt1/ beta-Catenin Signaling via LRP6 Coreceptor Clustering.
Acs Chem.Biol., 18, 2023
7YMS
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BU of 7yms by Molmil
Cryo-EM structure of Coxsackievirus A16 in complex with a neutralizing antibody 9B5
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Cong, Y, Liu, C.X.
Deposit date:2022-07-29
Release date:2022-08-24
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular mechanism of antibody neutralization of coxsackievirus A16.
Nat Commun, 13, 2022
8AK3
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BU of 8ak3 by Molmil
Drosophila melanogaster UNC89 Protein Kinase 1 in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Obscurin
Authors:Dorendorf, T, Zacharchenko, T, Mayans, O.
Deposit date:2022-07-29
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:PK1 from Drosophila obscurin is an inactive pseudokinase with scaffolding properties.
Open Biology, 13, 2023
8AK2
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BU of 8ak2 by Molmil
Drosophila melanogaster UNC89 Protein Kinase Domain 1 (apo)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Obscurin
Authors:Dorendorf, T, Zacharchenko, T, Mayans, O.
Deposit date:2022-07-29
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:PK1 from Drosophila obscurin is an inactive pseudokinase with scaffolding properties.
Open Biology, 13, 2023
7YMJ
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BU of 7ymj by Molmil
Cryo-EM structure of alpha1AAR-Nb6 complex bound to tamsulosin
Descriptor: Nb6, Tamsulosin, alpha1A-adrenergic receptor
Authors:Toyoda, Y, Zhu, A, Yan, C, Kobilka, B.K, Liu, X.
Deposit date:2022-07-28
Release date:2023-07-05
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Structural basis of alpha 1A -adrenergic receptor activation and recognition by an extracellular nanobody.
Nat Commun, 14, 2023
7YMH
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BU of 7ymh by Molmil
Cryo-EM structure of Nb29-alpha1AAR-miniGsq complex bound to noradrenaline
Descriptor: Nb29, Noradrenaline, alpha1A-adrenergic receptor, ...
Authors:Toyoda, Y, Zhu, A, Yan, C, Kobilka, B.K, Liu, X.
Deposit date:2022-07-28
Release date:2023-07-05
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Structural basis of alpha 1A -adrenergic receptor activation and recognition by an extracellular nanobody.
Nat Commun, 14, 2023
7YLW
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BU of 7ylw by Molmil
yeast TRiC-plp2-tubulin complex at S3 closed TRiC state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Han, W.Y.
Deposit date:2022-07-27
Release date:2023-03-29
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Structural basis of plp2-mediated cytoskeletal protein folding by TRiC/CCT.
Sci Adv, 9, 2023
7YM8
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BU of 7ym8 by Molmil
Cryo-EM structure of Nb29-alpha1AAR-miniGsq complex bound to oxymetazoline
Descriptor: CHOLESTEROL HEMISUCCINATE, Oxymetazoline, alpha1A adrenergic receptor, ...
Authors:Toyoda, Y, Zhu, A, Yan, C, Kobilka, B.K, Liu, X.
Deposit date:2022-07-27
Release date:2023-07-05
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Structural basis of alpha 1A -adrenergic receptor activation and recognition by an extracellular nanobody.
Nat Commun, 14, 2023
8AJ4
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BU of 8aj4 by Molmil
X-ray structure of lysozyme obtained upon reaction with [VIVO(malt)2] (Structure A')
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8,8-bis($l^{1}-oxidanyl)-2,2'-dimethyl-8,8'-spirobi[3$l^{4},7,9-trioxa-8$l^{6}-vanadabicyclo[4.3.0]nona-1(6),2,4-triene], Lysozyme, ...
Authors:Paolillo, M, Merlino, A, Ferraro, G.
Deposit date:2022-07-27
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Multiple and Variable Binding of Pharmacologically Active Bis(maltolato)oxidovanadium(IV) to Lysozyme.
Inorg.Chem., 61, 2022
8AJ3
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BU of 8aj3 by Molmil
X-ray structure of lysozyme obtained upon reaction with [VIVO(malt)2] (Structure A)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8,8,8,8-tetrakis($l^{1}-oxidanyl)-2-methyl-3,7,9-trioxa-8$l^{6}-vanadabicyclo[4.3.0]nona-1,5-diene, 8,8-bis($l^{1}-oxidanyl)-2,2'-dimethyl-8,8'-spirobi[3$l^{4},7,9-trioxa-8$l^{6}-vanadabicyclo[4.3.0]nona-1(6),2,4-triene], ...
Authors:Paolillo, M, Merlino, A, Ferraro, G.
Deposit date:2022-07-27
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Multiple and Variable Binding of Pharmacologically Active Bis(maltolato)oxidovanadium(IV) to Lysozyme.
Inorg.Chem., 61, 2022
8AJ5
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BU of 8aj5 by Molmil
X-ray structure of lysozyme obtained upon reaction with [VIVO(malt)2] (Structure B)
Descriptor: ACETATE ION, Lysozyme, NITRATE ION, ...
Authors:Paolillo, M, Merlino, A, Ferraro, G.
Deposit date:2022-07-27
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Multiple and Variable Binding of Pharmacologically Active Bis(maltolato)oxidovanadium(IV) to Lysozyme.
Inorg.Chem., 61, 2022
8DTN
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BU of 8dtn by Molmil
The complex of nanobody 6101 with BCL11A ZF6
Descriptor: B-cell lymphoma/leukemia 11A, MAGNESIUM ION, Nanobody 6101, ...
Authors:Yin, M, Tenglin, K, Zhai, L, Dassama, L.M, Orkin, S.H.
Deposit date:2022-07-26
Release date:2023-02-01
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Evolution of nanobodies specific for BCL11A.
Proc.Natl.Acad.Sci.USA, 120, 2023
8DTU
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BU of 8dtu by Molmil
The complex of nanobody 5344N74D with BCL11A ZF6.
Descriptor: B-cell lymphoma/leukemia 11A, Nanobody 5344N74D, ZINC ION
Authors:Yin, M, Tenglin, K, Zhai, L, Dassama, L.M, Orkin, S.H.
Deposit date:2022-07-26
Release date:2023-02-01
Method:X-RAY DIFFRACTION (2.447 Å)
Cite:Evolution of nanobodies specific for BCL11A.
Proc.Natl.Acad.Sci.USA, 120, 2023
7YLK
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BU of 7ylk by Molmil
Myoglobin containing Ir complex
Descriptor: Myoglobin, SULFATE ION, delta-{1-([2,2'-bipyridin]-5-ylmethyl)pyrrolidine-2,5-dione}bis[2-(2,4-difluorophenyl)pyridine)]iridium(III), ...
Authors:Lee, J.H, Song, W.J.
Deposit date:2022-07-26
Release date:2023-03-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Photocatalytic C-O Coupling Enzymes That Operate via Intramolecular Electron Transfer.
J.Am.Chem.Soc., 145, 2023
8DTM
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BU of 8dtm by Molmil
Cryo-EM structure of insulin receptor (IR) bound with S597 component 2
Descriptor: Insulin mimetic peptide S597 component 2, Insulin receptor
Authors:Park, J, Li, J, Mayer, J.P, Ball, K.A, Wu, J.Y, Hall, C, Accili, D, Stowell, M.H.B, Bai, X.C, Choi, E.
Deposit date:2022-07-26
Release date:2022-09-07
Last modified:2022-10-12
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Activation of the insulin receptor by an insulin mimetic peptide.
Nat Commun, 13, 2022
8DU3
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BU of 8du3 by Molmil
Crystal structure of A2AAR-StaR2-bRIL in complex with compound 21a
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4M)-6-bromo-4-(furan-2-yl)quinazolin-2-amine, Adenosine receptor A2a, ...
Authors:Shiriaeva, A, Stauch, B, Han, G.W, Cherezov, V.
Deposit date:2022-07-26
Release date:2022-08-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:High ligand efficiency quinazoline compounds as novel A 2A adenosine receptor antagonists.
Eur.J.Med.Chem., 241, 2022
7YL1
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BU of 7yl1 by Molmil
Crystal structure of JNK3 in complex with a fragment molecule
Descriptor: 7-hexyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione, Mitogen-activated protein kinase 10
Authors:Ahn, H.-C, Duong, M.T.H.
Deposit date:2022-07-25
Release date:2023-07-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal structure of JNK3 in complex with a fragment molecule
To Be Published
7YKZ
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BU of 7ykz by Molmil
Cryo-EM structure of Drg1 hexamer in the planar state treated with ADP/AMPPNP/Diazaborine
Descriptor: 2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-1-OL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Ma, C.Y, Wu, D.M, Chen, Q, Gao, N.
Deposit date:2022-07-25
Release date:2022-12-14
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition.
Nat Commun, 13, 2022
8DTL
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BU of 8dtl by Molmil
Cryo-EM structure of insulin receptor (IR) bound with S597 peptide
Descriptor: Insulin mimetic peptide S597, Insulin receptor
Authors:Park, J, Li, J, Mayer, J.P, Ball, K.A, Wu, J.Y, Hall, C, Accili, D, Stowell, M.H.B, Bai, X.C, Choi, E.
Deposit date:2022-07-25
Release date:2022-09-07
Last modified:2022-10-12
Method:ELECTRON MICROSCOPY (5.4 Å)
Cite:Activation of the insulin receptor by an insulin mimetic peptide.
Nat Commun, 13, 2022
8AHY
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BU of 8ahy by Molmil
X-ray structure of human NCS-1 bound to Ric-8A
Descriptor: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Munoz-Reyes, D, Sanchez-Barrena, M.J.
Deposit date:2022-07-25
Release date:2023-12-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The neuronal calcium sensor NCS-1 regulates the phosphorylation state and activity of the G alpha chaperone and GEF Ric-8A.
Elife, 12, 2023

222415

數據於2024-07-10公開中

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