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8IFG
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BU of 8ifg by Molmil
Cryo-EM structure of the Clr6S (Clr6-HDAC) complex from S. pombe
Descriptor: Chromatin modification-related protein eaf3, Cph1, Cph2, ...
Authors:Zhang, H.Q, Wang, X, Wang, Y.N, Liu, S.M, Zhang, Y, Xu, K, Ji, L.T, Kornberg, R.D.
Deposit date:2023-02-17
Release date:2024-01-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Class I histone deacetylase complex: Structure and functional correlates.
Proc Natl Acad Sci U S A, 120, 2023
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
1F2S
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BU of 1f2s by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX FORMED BETWEEN BOVINE BETA-TRYPSIN AND MCTI-A, A TRYPSIN INHIBITOR OF SQUASH FAMILY AT 1.8 A RESOLUTION
Descriptor: CALCIUM ION, TRYPSIN, TRYPSIN INHIBITOR A
Authors:Zhu, Y, Huang, Q, Qian, M, Jia, Y, Tang, Y.
Deposit date:2000-05-29
Release date:2000-06-05
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal structure of the complex formed between bovine beta-trypsin and MCTI-A, a trypsin inhibitor of squash family, at 1.8-A resolution.
J.Protein Chem., 18, 1999
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
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
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
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
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
8WHS
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BU of 8whs by Molmil
Spike Trimer of BA.2.86 in complex with one hACE2
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:2024-07-03
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8WHV
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BU of 8whv by Molmil
Spike Trimer of BA.2.86 with three RBDs 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:2023-09-23
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8XUR
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BU of 8xur by Molmil
BA.2.86 Spike Trimer in complex with heparan sulfate
Descriptor: 2-O-sulfo-beta-L-altropyranuronic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yue, C, Liu, P.
Deposit date:2024-01-14
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8X4H
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BU of 8x4h by Molmil
SARS-CoV-2 JN.1 Spike
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:2023-11-15
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8X5R
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BU of 8x5r by Molmil
SARS-CoV-2 BA.2.75 Spike with K356T mutation (1 RBD up)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Yue, C, Liu, P.
Deposit date:2023-11-17
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8XUT
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BU of 8xut by Molmil
XBB.1.5 Spike Trimer in complex with heparan sulfate
Descriptor: 2-O-sulfo-beta-L-altropyranuronic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Yue, C, Liu, P, Mao, X.
Deposit date:2024-01-14
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8XUU
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BU of 8xuu by Molmil
BA.2.86-T356K Spike Trimer in complex with heparan sulfate (Local refinement)
Descriptor: 2-O-sulfo-beta-L-altropyranuronic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Yue, C, Liu, P.
Deposit date:2024-01-14
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8XUS
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BU of 8xus by Molmil
JN.1 Spike Trimer in complex with heparan sulfate
Descriptor: 2-O-sulfo-beta-L-altropyranuronic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Yue, C, Liu, P.
Deposit date:2024-01-14
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8WHW
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BU of 8whw by Molmil
Spike Trimer of BA.2.86 with single 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:2023-09-23
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8WHU
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BU of 8whu by Molmil
Spike Trimer of BA.2.86 in complex with two hACE2s
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:2024-07-03
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8X5Q
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BU of 8x5q by Molmil
SARS-CoV-2 BA.2.75 Spike with K356T mutation (3 RBD down)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Yue, C, Liu, P.
Deposit date:2023-11-17
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.47 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
2R82
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BU of 2r82 by Molmil
Pyruvate phosphate dikinase (PPDK) triple mutant R219E/E271R/S262D adapts a second conformational state
Descriptor: Pyruvate, phosphate dikinase, SULFATE ION
Authors:Lim, K, Read, R.J, Chen, C.C, Herzberg, O.
Deposit date:2007-09-10
Release date:2008-01-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Swiveling domain mechanism in pyruvate phosphate dikinase.
Biochemistry, 46, 2007
6LW2
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BU of 6lw2 by Molmil
The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase
Descriptor: 7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2020-02-07
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of N -Arylsulfonyl-Indole-2-Carboxamide Derivatives as Potent, Selective, and Orally Bioavailable Fructose-1,6-Bisphosphatase Inhibitors-Design, Synthesis, In Vivo Glucose Lowering Effects, and X-ray Crystal Complex Analysis.
J.Med.Chem., 63, 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

222624

數據於2024-07-17公開中

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