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6IVU
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BU of 6ivu by Molmil
Solution structure of the Sigma-anti-sigma factor complex RsgI1N-SigI1C from Clostridium thermocellum
Descriptor: Anti-sigma-I factor RsgI1, RNA polymerase sigma factor SigI1
Authors:Wei, Z, Feng, Y.
Deposit date:2018-12-04
Release date:2019-05-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Alternative sigma I/anti-sigma I factors represent a unique form of bacterial sigma /anti-sigma complex.
Nucleic Acids Res., 47, 2019
6IVS
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BU of 6ivs by Molmil
Solution structure of the N-terminal domain of the anti-sigma factor RsgI1 from Clostridium thermocellum
Descriptor: Anti-sigma-I factor RsgI1
Authors:Wei, Z, Feng, Y.
Deposit date:2018-12-04
Release date:2019-05-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Alternative sigma I/anti-sigma I factors represent a unique form of bacterial sigma /anti-sigma complex.
Nucleic Acids Res., 47, 2019
8X4Z
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BU of 8x4z by Molmil
BA.2.86 Spike Trimer with ins483V mutation (3 RBD down)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Yue, C, Liu, P.
Deposit date:2023-11-16
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8X50
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BU of 8x50 by Molmil
BA.2.86 Spike Trimer with ins483V mutation (1 RBD up)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Yue, C, Liu, P.
Deposit date:2023-11-16
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite:Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8X55
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BU of 8x55 by Molmil
BA.2.86 Spike Trimer with T356K mutation (3 RBD down)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Yue, C, Liu, P.
Deposit date:2023-11-16
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8X56
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BU of 8x56 by Molmil
BA.2.86 Spike Trimer with T356K mutation (1 RBD up)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Yue, C, Liu, P.
Deposit date:2023-11-16
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (3.93 Å)
Cite:Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
7TW5
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BU of 7tw5 by Molmil
Cryo-EM structure of human ankyrin complex (B2P1A2) from red blood cell
Descriptor: Ankyrin-1, Band 3 anion transport protein, Protein 4.2
Authors:Xia, X, Liu, S.H, Zhou, Z.H.
Deposit date:2022-02-06
Release date:2022-06-08
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Structure, dynamics and assembly of the ankyrin complex on human red blood cell membrane.
Nat.Struct.Mol.Biol., 29, 2022
7TW6
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BU of 7tw6 by Molmil
Cryo-EM structure of human ankyrin complex (B4P1A1) from red blood cell
Descriptor: Ankyrin-1, Band 3 anion transport protein, Protein 4.2
Authors:Xia, X, Liu, S.H, Zhou, Z.H.
Deposit date:2022-02-06
Release date:2022-06-08
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:Structure, dynamics and assembly of the ankyrin complex on human red blood cell membrane.
Nat.Struct.Mol.Biol., 29, 2022
7TW3
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BU of 7tw3 by Molmil
Cryo-EM structure of human ankyrin complex (B2P1A1) from red blood cell
Descriptor: Ankyrin-1, Band 3 anion transport protein, Protein 4.2
Authors:Xia, X, Liu, S.H, Zhou, Z.H.
Deposit date:2022-02-06
Release date:2022-06-08
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structure, dynamics and assembly of the ankyrin complex on human red blood cell membrane.
Nat.Struct.Mol.Biol., 29, 2022
7TVZ
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BU of 7tvz by Molmil
Cryo-EM structure of human band 3-protein 4.2 complex in diagonal conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Band 3 anion transport protein, CHOLESTEROL, ...
Authors:Xia, X, Liu, S.H, Zhou, Z.H.
Deposit date:2022-02-06
Release date:2022-06-08
Last modified:2022-07-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure, dynamics and assembly of the ankyrin complex on human red blood cell membrane.
Nat.Struct.Mol.Biol., 29, 2022
7TW2
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BU of 7tw2 by Molmil
Cryo-EM structure of human band 3 dimer from red blood cell
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Band 3 anion transport protein
Authors:Xia, X, Liu, S.H, Zhou, Z.H.
Deposit date:2022-02-06
Release date:2022-06-08
Last modified:2022-07-27
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structure, dynamics and assembly of the ankyrin complex on human red blood cell membrane.
Nat.Struct.Mol.Biol., 29, 2022
7TW1
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BU of 7tw1 by Molmil
Cryo-EM structure of human band 3-protein 4.2 complex (B2P2vertical)
Descriptor: Band 3 anion transport protein, Protein 4.2
Authors:Xia, X, Liu, S.H, Zhou, Z.H.
Deposit date:2022-02-06
Release date:2022-06-08
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structure, dynamics and assembly of the ankyrin complex on human red blood cell membrane.
Nat.Struct.Mol.Biol., 29, 2022
7TW0
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BU of 7tw0 by Molmil
Cryo-EM structure of human band 3-protein 4.2 complex in vertical conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Band 3 anion transport protein, Protein 4.2
Authors:Xia, X, Liu, S.H, Zhou, Z.H.
Deposit date:2022-02-06
Release date:2022-06-08
Last modified:2022-07-27
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structure, dynamics and assembly of the ankyrin complex on human red blood cell membrane.
Nat.Struct.Mol.Biol., 29, 2022
8WHZ
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BU of 8whz by Molmil
BA.2.86 RBD in complex with hACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Processed angiotensin-converting enzyme 2, ...
Authors:Yue, C, Liu, P.
Deposit date:2023-09-23
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (3.93 Å)
Cite:Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8BAY
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BU of 8bay by Molmil
Crystal Structure of IDH1 variant R132C S280F in complex with NADPH, Ca2+ and 3-butyl-2-oxoglutarate
Descriptor: (R)-3-butyl-2-oxopentanedioic acid, (S)-3-butyl-2-oxopentanedioic acid, CALCIUM ION, ...
Authors:Rabe, P, Schofield, C.J, Reinbold, R, Brewitz, L.
Deposit date:2022-10-12
Release date:2022-11-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Natural and synthetic 2-oxoglutarate derivatives are substrates for oncogenic variants of human isocitrate dehydrogenase 1 and 2.
J.Biol.Chem., 299, 2023
6JK8
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BU of 6jk8 by Molmil
Cryo-EM structure of the full-length human IGF-1R in complex with insulin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin, ...
Authors:Zhang, X, Yu, D, Wang, T.
Deposit date:2019-02-27
Release date:2020-03-04
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Visualization of Ligand-Bound Ectodomain Assembly in the Full-Length Human IGF-1 Receptor by Cryo-EM Single-Particle Analysis.
Structure, 28, 2020
7EZP
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BU of 7ezp by Molmil
Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 3-(3-hydroxy-3-oxopropyl)-5-(2-methylpropyl)-7-nitro-1H-indole-2-carboxylic acid, Fructose-1,6-bisphosphatase 1
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2021-06-01
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Acs Med.Chem.Lett., 13, 2022
7EZR
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BU of 7ezr by Molmil
Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 5-ethyl-7-nitro-3-[3-oxidanylidene-3-(thiophen-2-ylsulfonylamino)propyl]-1H-indole-2-carboxylic acid, Fructose-1,6-bisphosphatase 1
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2021-06-01
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Acs Med.Chem.Lett., 13, 2022
7EZF
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BU of 7ezf by Molmil
Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 7-chloranyl-5-ethyl-3-(3-hydroxy-3-oxopropyl)-1H-indole-2-carboxylic acid, Fructose-1,6-bisphosphatase 1
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2021-06-01
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Acs Med.Chem.Lett., 13, 2022
6Q9M
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BU of 6q9m by Molmil
Central Fibronectin-III array of RIM-binding protein
Descriptor: PHOSPHATE ION, RIM-binding protein, isoform F
Authors:Driller, J.D, Habibi, S, Wahl, M.C, Loll, B.
Deposit date:2018-12-18
Release date:2020-01-15
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.453 Å)
Cite:RIM-binding protein couples synaptic vesicle recruitment to release sites.
J.Cell Biol., 219, 2020
8BA4
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BU of 8ba4 by Molmil
Crystal structure of JAK2 JH2-V617F in complex with Bemcentinib
Descriptor: 1-(3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl)-~{N}3-[(7~{S})-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine, Tyrosine-protein kinase JAK2
Authors:Haikarainen, T, Silvennoinen, O.
Deposit date:2022-10-11
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8BA3
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BU of 8ba3 by Molmil
Crystal structure of JAK2 JH2 in complex with Bemcentinib
Descriptor: 1-(3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl)-~{N}3-[(7~{S})-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Haikarainen, T, Silvennoinen, O.
Deposit date:2022-10-11
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8B99
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BU of 8b99 by Molmil
Crystal structure of JAK2 JH2-V617F in complex with JNJ-7706621
Descriptor: 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Haikarainen, T, Silvennoinen, O.
Deposit date:2022-10-05
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8B8U
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BU of 8b8u by Molmil
Crystal structure of JAK2 JH2-V617F in complex with HTS-A3
Descriptor: 3,5-diphenyl-2-(trifluoromethyl)-1~{H}-pyrazolo[1,5-a]pyrimidin-7-one, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Haikarainen, T, Silvennoinen, O.
Deposit date:2022-10-05
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8B9H
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BU of 8b9h by Molmil
Crystal structure of JAK2 JH2 in complex with Z902-A3
Descriptor: 6-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-~{N}4-phenyl-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Haikarainen, T, Silvennoinen, O.
Deposit date:2022-10-06
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023

221716

數據於2024-06-26公開中

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