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7F2S
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BU of 7f2s by Molmil
Crystal structure of anti S-gatifloxacin antibody Fab fragment apo form
Descriptor: 1,2-ETHANEDIOL, Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, ...
Authors:Wang, L.T, Jiao, W.Y, Shen, X, Lei, H.T.
Deposit date:2021-06-14
Release date:2021-12-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Conformational adaptability determining antibody recognition to distomer: structure analysis of enantioselective antibody against chiral drug gatifloxacin
Rsc Adv, 11, 2021
7F35
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BU of 7f35 by Molmil
Crystal structure of anti S-gatifloxacin antibody Fab fragment in complex with S-gatifloxacin
Descriptor: 1,2-ETHANEDIOL, 1-cyclopropyl-6-fluoro-8-methoxy-7-[(3S)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Antibody Fab fragment heavy chain, ...
Authors:Wang, L.T, Jiao, W.Y, Shen, X, Lei, H.T.
Deposit date:2021-06-15
Release date:2021-12-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Conformational adaptability determining antibody recognition to distomer: structure analysis of enantioselective antibody against chiral drug gatifloxacin
Rsc Adv, 11, 2021
8GOY
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BU of 8goy by Molmil
SulE P44R
Descriptor: 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylic acid, Alpha/beta fold hydrolase, GLYCEROL
Authors:Liu, B, He, J, Ran, T, Wang, W.
Deposit date:2022-08-25
Release date:2023-08-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.784 Å)
Cite:Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
8GOL
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BU of 8gol by Molmil
crystal structure of SulE
Descriptor: 2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid, Alpha/beta fold hydrolase, GLYCEROL
Authors:Liu, B, Ran, T, Wang, W, He, J.
Deposit date:2022-08-25
Release date:2023-08-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
8GP0
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BU of 8gp0 by Molmil
crystal structure of SulE
Descriptor: Alpha/beta fold hydrolase, CITRIC ACID, GLYCEROL
Authors:Liu, B, Ran, T, wang, W, He, J.
Deposit date:2022-08-25
Release date:2023-08-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
7JYD
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BU of 7jyd by Molmil
Human Liver Receptor Homolog-1 in Complex with 10CA and a Fragment of Tif2
Descriptor: 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
Authors:D'Agostino, E.H, Mays, S.G, Ortlund, E.A.
Deposit date:2020-08-30
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 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
Authors:D'Agostino, E.H, Mays, S.G, Ortlund, E.A.
Deposit date:2020-08-30
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.551 Å)
Cite:Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis
To Be Published
6JX4
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BU of 6jx4 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with AZD9291 prepared by soaking
Descriptor: 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
Authors:Zhu, S.J, Yan, X.E, Yun, C.H.
Deposit date:2019-04-22
Release date:2020-04-22
Last modified:2020-11-04
Method:X-RAY DIFFRACTION (2.531 Å)
Cite:Structural Basis of AZD9291 Selectivity for EGFR T790M.
J.Med.Chem., 63, 2020
7X0X
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BU of 7x0x by Molmil
Cryo-EM Structure of Arabidopsis CRY2 in active conformation
Descriptor: Cryptochrome-2, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Hao, Y.H, Zhang, X, Zhang, P.
Deposit date:2022-02-22
Release date:2023-01-04
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:Cryo-EM structure of the CRY2 and CIB1 fragment complex provides insights into CIB1-mediated photosignaling.
Plant Commun., 4, 2023
7X0Y
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BU of 7x0y by Molmil
Cryo-EM Structure of Arabidopsis CRY2 tetramer in complex with CIB1 fragment
Descriptor: CIB1 fragment, Cryptochrome-2, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Hao, Y.H, Zhang, X, Zhang, P.
Deposit date:2022-02-22
Release date:2023-01-04
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.89 Å)
Cite:Cryo-EM structure of the CRY2 and CIB1 fragment complex provides insights into CIB1-mediated photosignaling.
Plant Commun., 4, 2023
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
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, MAGNESIUM ION
Authors:Hoang, Q.Q, Liao, J, Huang, X, Park, Y, Wu, C.X.
Deposit date:2020-06-04
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.968 Å)
Cite:Structural basis for conformational plasticity in the GTPase domain of the Parkinson's disease-associated protein LRRK2
To be Published
7CYC
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BU of 7cyc by Molmil
Cryo-EM structures of Alphacoronavirus spike glycoprotein
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:Song, X, Shi, Y, Ding, W, Liu, Z.J, Peng, G.
Deposit date:2020-09-03
Release date:2020-12-23
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Cryo-EM analysis of the HCoV-229E spike glycoprotein reveals dynamic prefusion conformational changes.
Nat Commun, 12, 2021
6N05
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BU of 6n05 by Molmil
Structure of anti-crispr protein, AcrIIC2
Descriptor: AcrIIC2
Authors:Shah, M, Thavalingham, A, Maxwell, K.L, Moraes, T.F.
Deposit date:2018-11-06
Release date:2019-06-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inhibition of CRISPR-Cas9 ribonucleoprotein complex assembly by anti-CRISPR AcrIIC2.
Nat Commun, 10, 2019
7CYD
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BU of 7cyd by Molmil
Cryo-EM structures of Alphacoronavirus spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Song, X, Shi, Y, Ding, W, Liu, Z.J, Peng, G.
Deposit date:2020-09-03
Release date:2020-12-23
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Cryo-EM analysis of the HCoV-229E spike glycoprotein reveals dynamic prefusion conformational changes.
Nat Commun, 12, 2021
7TOU
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BU of 7tou by Molmil
Delta (B.1.617.2) SARS-CoV-2 variant spike protein (S-GSAS-Delta) in the 3-RBD-down conformation; consensus state D1
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:Gobeil, S, Acharya, P.
Deposit date:2022-01-24
Release date:2022-02-09
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TOV
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BU of 7tov by Molmil
Delta (B.1.617.2) SARS-CoV-2 variant spike protein (S-GSAS-Delta) in the 1-RBD-up conformation; consensus state D2
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:Gobeil, S, Acharya, P.
Deposit date:2022-01-24
Release date:2022-02-09
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TOX
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BU of 7tox by Molmil
Delta (B.1.617.2) SARS-CoV-2 variant spike protein (S-GSAS-Delta) in the 3-RBD-down conformation; Subclassification D5 state
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:Gobeil, S, Acharya, P.
Deposit date:2022-01-24
Release date:2022-02-09
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TOY
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BU of 7toy by Molmil
Delta (B.1.617.2) SARS-CoV-2 variant spike protein (S-GSAS-Delta) in the 3-RBD-down conformation; Subclassification D6 state
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:Gobeil, S, Acharya, P.
Deposit date:2022-01-24
Release date:2022-02-09
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TOZ
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BU of 7toz by Molmil
Delta (B.1.617.2) SARS-CoV-2 variant spike protein (S-GSAS-Delta) in the 3-RBD-down conformation; Subclassification D7 state
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:Gobeil, S, Acharya, P.
Deposit date:2022-01-24
Release date:2022-02-09
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (4.07 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TP0
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BU of 7tp0 by Molmil
Delta (B.1.617.2) SARS-CoV-2 variant spike protein (S-GSAS-Delta) in the 3-RBD-down conformation; Subclassification D8 state
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:Gobeil, S, Acharya, P.
Deposit date:2022-01-24
Release date:2022-02-09
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TP2
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BU of 7tp2 by Molmil
Delta (B.1.617.2) SARS-CoV-2 variant spike protein (S-GSAS-Delta) in the 3-RBD-down conformation; Subclassification D10 state
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:Gobeil, S, Acharya, P.
Deposit date:2022-01-24
Release date:2022-02-09
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TP8
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BU of 7tp8 by Molmil
Delta (B.1.617.2) SARS-CoV-2 variant spike protein (S-GSAS-Delta) in the 1-RBD-up conformation; Subclassification D12 state
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:Gobeil, S, Acharya, P.
Deposit date:2022-01-25
Release date:2022-02-09
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TPA
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BU of 7tpa by Molmil
Delta (B.1.617.2) SARS-CoV-2 variant spike protein (S-GSAS-Delta) in the 1-RBD-up conformation; Subclassification D14 state
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:Gobeil, S, Acharya, P.
Deposit date:2022-01-25
Release date:2022-02-09
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TPC
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BU of 7tpc by Molmil
Delta (B.1.617.2) SARS-CoV-2 variant spike protein (S-GSAS-Delta) in the 1-RBD-up conformation; Subclassification D15 state
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:Gobeil, S, Acharya, P.
Deposit date:2022-01-25
Release date:2022-02-09
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.91 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TPE
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BU of 7tpe by Molmil
Delta (B.1.617.2) SARS-CoV-2 variant spike protein (S-GSAS-Delta) in the 1-RBD-up conformation; Subclassification D16 state
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:Gobeil, S, Acharya, P.
Deposit date:2022-01-25
Release date:2022-02-09
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022

227344

數據於2024-11-13公開中

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