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7THE
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BU of 7the by Molmil
Structure of RBD directed antibody DH1042 in complex with SARS-CoV-2 spike: Local refinement of RBD-Fab interface
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1042 Fab Heavy Chain, DH1042 Fab Light Chain, ...
著者May, A.J, Manne, K, Acharya, P.
登録日2022-01-10
公開日2022-02-16
最終更新日2022-08-03
実験手法ELECTRON MICROSCOPY (3.87 Å)
主引用文献Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TOW
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BU of 7tow by Molmil
Antibody DH1058 Fab fragment bound to SARS-CoV-2 fusion peptide
分子名称: CALCIUM ION, DH1058 Fab Light chain, DH1058 Fab heavy chain, ...
著者Gobeil, S, Acharya, P.
登録日2022-01-24
公開日2022-02-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TGE
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BU of 7tge by Molmil
SARS-CoV-2 Omicron 1-RBD down Spike Protein Trimer without the P986-P987 stabilizing mutations (S-GSAS-Omicron)
分子名称: 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
著者Stalls, V, Acharya, P.
登録日2022-01-07
公開日2022-03-09
最終更新日2023-04-12
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7XVE
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BU of 7xve by Molmil
Human Nav1.7 mutant class-I
分子名称: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
著者Huang, G, Wu, Q, Li, Z, Pan, X, Yan, N.
登録日2022-05-21
公開日2022-08-10
最終更新日2023-03-01
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Unwinding and spiral sliding of S4 and domain rotation of VSD during the electromechanical coupling in Na v 1.7.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XVF
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BU of 7xvf by Molmil
Nav1.7 mutant class2
分子名称: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
著者Huang, G, Wu, Q, Li, Z, Pan, X, Yan, N.
登録日2022-05-22
公開日2022-08-10
最終更新日2023-03-01
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Unwinding and spiral sliding of S4 and domain rotation of VSD during the electromechanical coupling in Na v 1.7.
Proc.Natl.Acad.Sci.USA, 119, 2022
8U1X
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BU of 8u1x by Molmil
The structure of the PP2A-B56Delta holoenzyme mutant - E197K
分子名称: MANGANESE (II) ION, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit delta isoform, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, ...
著者Wu, C.G, Xing, Y.
登録日2023-09-04
公開日2024-01-17
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献B56 delta long-disordered arms form a dynamic PP2A regulation interface coupled with global allostery and Jordan's syndrome mutations.
Proc.Natl.Acad.Sci.USA, 121, 2024
8U89
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BU of 8u89 by Molmil
The structure of the PP2A-B56Delta holoenzyme mutant - E197K
分子名称: MANGANESE (II) ION, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit delta isoform, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, ...
著者Wu, C.G, Xing, Y.
登録日2023-09-16
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献B56 delta long-disordered arms form a dynamic PP2A regulation interface coupled with global allostery and Jordan's syndrome mutations.
Proc.Natl.Acad.Sci.USA, 121, 2024
6J69
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BU of 6j69 by Molmil
Structure of KIBRA and Dendrin Complex
分子名称: Peptide from Dendrin, Protein KIBRA
著者Lin, Z, Yang, Z, Ji, Z, Zhang, M.
登録日2019-01-14
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.753 Å)
主引用文献Kibra Modulates Learning and Memory via Binding to Dendrin.
Cell Rep, 26, 2019
6JFP
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BU of 6jfp by Molmil
Crystal structure of the beta-glucosidase Bgl15
分子名称: beta-D-glucopyranose, beta-glucosidase 15
著者Xie, W, Chen, R.
登録日2019-02-11
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Engineering of beta-Glucosidase Bgl15 with Simultaneously Enhanced Glucose Tolerance and Thermostability To Improve Its Performance in High-Solid Cellulose Hydrolysis.
J.Agric.Food Chem., 68, 2020
6XAF
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BU of 6xaf by Molmil
1.9A crystal structure of the GTPase domain of Parkinson's disease-associated protein LRRK2 carrying R1398H
分子名称: GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, MAGNESIUM ION
著者Hoang, Q.Q, Liao, J, Huang, X, Park, Y, Wu, C.X.
登録日2020-06-04
公開日2021-06-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.968 Å)
主引用文献Structural basis for conformational plasticity in the GTPase domain of the Parkinson's disease-associated protein LRRK2
To be Published
7JYD
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BU of 7jyd by Molmil
Human Liver Receptor Homolog-1 in Complex with 10CA and a Fragment of Tif2
分子名称: 10-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
著者D'Agostino, E.H, Mays, S.G, Ortlund, E.A.
登録日2020-08-30
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis
To Be Published
7JYE
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BU of 7jye by Molmil
Human Liver Receptor Homolog-1 in Complex with 9ChoP and a Fragment of Tif2
分子名称: 9-[(3~{a}~{R},6~{R},6~{a}~{R})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{H}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
著者D'Agostino, E.H, Mays, S.G, Ortlund, E.A.
登録日2020-08-30
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.551 Å)
主引用文献Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis
To Be Published
8JTN
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BU of 8jtn by Molmil
Tudor domain of TDRD3 in complex with a small molecule
分子名称: 2-propyl-2-azoniatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7-trien-8-amine, Tudor domain-containing protein 3
著者Chen, M, Wang, Z, Li, W, Shang, X, Liu, Y.
登録日2023-06-22
公開日2023-08-09
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Tudor domain of TDRD3 in complex with a small molecule antagonist.
Biochim Biophys Acta Gene Regul Mech, 1866, 2023
8HVS
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BU of 8hvs by Molmil
Solution Structure of the Antimicrobial Peptide HT-2
分子名称: ARG-PHE-LEU-ARG-ARG-ILE-PHE-PHE-PHE-PHE
著者Li, S, Yang, A.
登録日2022-12-27
公開日2023-10-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Design and evaluation of tadpole-like conformational antimicrobial peptides.
Commun Biol, 6, 2023
5WSV
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BU of 5wsv by Molmil
Crystal structure of Myosin VIIa IQ5 in complex with Ca2+-CaM
分子名称: CALCIUM ION, Calmodulin, SULFATE ION, ...
著者Li, J, Chen, Y, Deng, Y, Lu, Q, Zhang, M.
登録日2016-12-08
公開日2017-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Ca(2+)-Induced Rigidity Change of the Myosin VIIa IQ Motif-Single alpha Helix Lever Arm Extension
Structure, 25, 2017
8I6Y
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BU of 8i6y by Molmil
Crystal structure of Arabidopsis thaliana LOX1
分子名称: FE (III) ION, Linoleate 9S-lipoxygenase 1
著者Liu, X, Liu, L.
登録日2023-01-30
公開日2024-02-07
実験手法X-RAY DIFFRACTION (3.26 Å)
主引用文献UV-B light signal mediates stomatal closure by activating the 9-lipoxygenase pathway
To Be Published
8IAB
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BU of 8iab by Molmil
The Arabidopsis CLCa transporter bound with chloride, ATP and PIP2
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Chloride channel protein CLC-a, ...
著者Yang, Z, Zhang, X, Zhang, P.
登録日2023-02-08
公開日2023-08-02
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Molecular mechanism underlying regulation of Arabidopsis CLCa transporter by nucleotides and phospholipids.
Nat Commun, 14, 2023
8IAD
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BU of 8iad by Molmil
The Arabidopsis CLCa transporter bound with nitrate, ATP and PIP2
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Chloride channel protein CLC-a, MAGNESIUM ION, ...
著者Yang, Z, Zhang, X, Zhang, P.
登録日2023-02-08
公開日2023-08-02
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Molecular mechanism underlying regulation of Arabidopsis CLCa transporter by nucleotides and phospholipids.
Nat Commun, 14, 2023
5WST
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BU of 5wst by Molmil
Crystal structure of Myo7a SAH
分子名称: Unconventional myosin-VIIa
著者Li, J, Chen, Y, Deng, Y, Lu, Q, Zhang, M.
登録日2016-12-08
公開日2017-06-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ca(2+)-Induced Rigidity Change of the Myosin VIIa IQ Motif-Single alpha Helix Lever Arm Extension
Structure, 25, 2017
6N05
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BU of 6n05 by Molmil
Structure of anti-crispr protein, AcrIIC2
分子名称: AcrIIC2
著者Shah, M, Thavalingham, A, Maxwell, K.L, Moraes, T.F.
登録日2018-11-06
公開日2019-06-05
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Inhibition of CRISPR-Cas9 ribonucleoprotein complex assembly by anti-CRISPR AcrIIC2.
Nat Commun, 10, 2019
8J2M
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BU of 8j2m by Molmil
The truncated rice Na+/H+ antiporter SOS1 (1-976) in a constitutively active state
分子名称: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate, Na+/H+ antiporter
著者Zhang, X.Y, Tang, L.H, Zhang, C.R, Nie, J.W.
登録日2023-04-14
公開日2023-11-22
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure and activation mechanism of the rice Salt Overly Sensitive 1 (SOS1) Na + /H + antiporter.
Nat.Plants, 9, 2023
8IWO
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BU of 8iwo by Molmil
The rice Na+/H+ antiporter SOS1 in an auto-inhibited state
分子名称: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate, OsSOS1
著者Zhang, X.Y, Tang, L.H, Zhang, C.R, Nie, J.W.
登録日2023-03-30
公開日2023-11-22
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Structure and activation mechanism of the rice Salt Overly Sensitive 1 (SOS1) Na + /H + antiporter.
Nat.Plants, 9, 2023
6JXT
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BU of 6jxt by Molmil
Crystal structure of EGFR 696-1022 WT in complex with AZD9291 prepared by cocrystallization
分子名称: CHLORIDE ION, Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
著者Yun, C.H, Zhu, S.J, Yan, X.E.
登録日2019-04-25
公開日2020-04-29
最終更新日2020-11-04
実験手法X-RAY DIFFRACTION (2.307 Å)
主引用文献Structural Basis of AZD9291 Selectivity for EGFR T790M.
J.Med.Chem., 63, 2020
8IFP
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BU of 8ifp by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 1
分子名称: (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C.
登録日2023-02-19
公開日2023-10-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
8IFQ
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BU of 8ifq by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 2
分子名称: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C.
登録日2023-02-19
公開日2023-10-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023

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