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6O9I
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BU of 6o9i by Molmil
Ternary complex of mouse ECD with Fab1 and Fab2
Descriptor: 1,2-ETHANEDIOL, Fab 2 heavy chain, Fab1 heavy chain, ...
Authors:Min, X, Wang, Z.
Deposit date:2019-03-13
Release date:2020-01-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular mechanism of an antagonistic antibody against glucose-dependent insulinotropic polypeptide receptor.
Mabs, 12, 2020
9IMO
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BU of 9imo by Molmil
Crystal structure of Tubulin-RB3-TTL-Y12
Descriptor: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Yan, W, Yang, J.H.
Deposit date:2024-07-04
Release date:2025-02-26
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Identification of a ligand-binding site on tubulin mediating the tubulin-RB3 interaction.
Proc.Natl.Acad.Sci.USA, 122, 2025
9IM5
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BU of 9im5 by Molmil
Tubulin-RB3(MUT)-TTL-Y12
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Yan, W, Yang, J.H.
Deposit date:2024-07-02
Release date:2025-02-26
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Identification of a ligand-binding site on tubulin mediating the tubulin-RB3 interaction.
Proc.Natl.Acad.Sci.USA, 122, 2025
6VCB
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BU of 6vcb by Molmil
Cryo-EM structure of the Glucagon-like peptide-1 receptor in complex with G protein, GLP-1 peptide and a positive allosteric modulator
Descriptor: 1-[(1R)-1-(2,6-dichloro-3-methoxyphenyl)ethyl]-6-{2-[(2R)-piperidin-2-yl]phenyl}-1H-benzimidazole, Glucagon-like peptide 1, Glucagon-like peptide 1 receptor, ...
Authors:Sun, B, Feng, D, Bueno, A, Kobilka, B, Sloop, K.
Deposit date:2019-12-20
Release date:2020-07-22
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into probe-dependent positive allosterism of the GLP-1 receptor.
Nat.Chem.Biol., 16, 2020
6UMI
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BU of 6umi by Molmil
Crystal structure of erenumab Fab-b
Descriptor: erenumab Fab heavy chain, IgG1, erenumab Fab light chain
Authors:Mohr, C.
Deposit date:2019-10-09
Release date:2020-02-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular Insight into Recognition of the CGRPR Complex by Migraine Prevention Therapy Aimovig (Erenumab).
Cell Rep, 30, 2020
6UMH
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BU of 6umh by Molmil
Crystal structure of erenumab Fab-a
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3-PROPANDIOL, PHOSPHATE ION, ...
Authors:Mohr, C.
Deposit date:2019-10-09
Release date:2020-02-12
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Molecular Insight into Recognition of the CGRPR Complex by Migraine Prevention Therapy Aimovig (Erenumab).
Cell Rep, 30, 2020
6UMJ
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BU of 6umj by Molmil
Crystal structure of erenumab Fab-c
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3-BUTANEDIOL, erenumab Fab heavy chain, ...
Authors:Mohr, C.
Deposit date:2019-10-09
Release date:2020-02-12
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular Insight into Recognition of the CGRPR Complex by Migraine Prevention Therapy Aimovig (Erenumab).
Cell Rep, 30, 2020
6UMG
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BU of 6umg by Molmil
Crystal structure of erenumab Fab bound to the extracellular domain of CGRP receptor
Descriptor: Calcitonin gene-related peptide type 1 receptor, Receptor activity-modifying protein 1, erenumab Fab heavy chain, ...
Authors:Mohr, C.
Deposit date:2019-10-09
Release date:2020-02-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular Insight into Recognition of the CGRPR Complex by Migraine Prevention Therapy Aimovig (Erenumab).
Cell Rep, 30, 2020
8AHH
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BU of 8ahh by Molmil
PAC FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: 5-cyano-~{N}-methyl-pyrazolo[1,5-a]pyridine-3-carboxamide, Serine/threonine-protein kinase PAK 4
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.037 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
8AHG
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BU of 8ahg by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: Serine/threonine-protein kinase PAK 4, ~{N}-methyl-3-propan-2-yl-1~{H}-pyrazolo[3,4-c]pyridine-4-carboxamide
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.885 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
8AHI
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BU of 8ahi by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: Serine/threonine-protein kinase PAK 4, ~{N}-methyl-1,3-benzothiazole-6-carboxamide
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
8AHE
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BU of 8ahe by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: SULFATE ION, UDP-N-acetylglucosamine 2-epimerase, ~{N},5-dimethyl-1-phenyl-pyrazole-4-sulfonamide
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.108 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
8AHF
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BU of 8ahf by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: (2~{R},4~{S})-4-[bis(fluoranyl)methoxy]-~{N}-methyl-1-(2~{H}-pyrazolo[4,3-b]pyridin-6-ylcarbonyl)pyrrolidine-2-carboxamide, SULFATE ION, UDP-N-acetylglucosamine 2-epimerase
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.271 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
6LGT
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BU of 6lgt by Molmil
Complex structure of HPPD with an inhibitor Y16542
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(2-chlorophenyl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, ...
Authors:Lin, H.Y, Yang, W.C, Yang, G.F.
Deposit date:2019-12-05
Release date:2020-10-14
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.794 Å)
Cite:Discovery of Novel Pyrazole-Quinazoline-2,4-dione Hybrids as 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors.
J.Agric.Food Chem., 68, 2020
7EO7
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BU of 7eo7 by Molmil
Crystal structure of HCoV-NL63 3C-like protease in complex with an inhibitor Shikonin
Descriptor: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase
Authors:Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J.
Deposit date:2021-04-21
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.24916625 Å)
Cite:Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
7EO8
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BU of 7eo8 by Molmil
Crystal structure of SARS coronavirus main protease in complex with an inhibitor Shikonin
Descriptor: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase
Authors:Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J.
Deposit date:2021-04-21
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2808516 Å)
Cite:Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
7DQZ
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BU of 7dqz by Molmil
Crystal structure of SARS 3C-like protease in apo form
Descriptor: 3C-like proteinase
Authors:Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J.
Deposit date:2020-12-24
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
8DI2
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BU of 8di2 by Molmil
Site 2 insulin receptor binding peptide IM459N21
Descriptor: Site 2 binding peptide IM459N21
Authors:Lawrence, M.C, Hu, H, Martinez, F.J, Espinosa, J.F.
Deposit date:2022-06-28
Release date:2022-11-09
Method:SOLUTION NMR
Cite:Activation of the human insulin receptor by non-insulin-related peptides.
Nat Commun, 13, 2022
8FPT
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BU of 8fpt by Molmil
STRUCTURE OF ALPHA-SYNUCLEIN FIBRILS DERIVED FROM HUMAN LEWY BODY DEMENTIA TISSUE
Descriptor: Alpha-synuclein
Authors:Barclay, A.M, Dhavale, D.D, Borcik, C.G, Rau, M.J, Basore, K, Milchberg, M.H, Warmuth, O.A, Kotzbauer, P.T, Rienstra, C.M, Schwieters, C.D.
Deposit date:2023-01-05
Release date:2023-02-22
Last modified:2024-12-11
Method:SOLID-STATE NMR
Cite:Structure of alpha-synuclein fibrils derived from human Lewy body dementia tissue.
Nat Commun, 15, 2024
9J7N
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BU of 9j7n by Molmil
Cryo-EM structure of TauT
Descriptor: BETA-ALANINE, CHLORIDE ION, CHOLESTEROL, ...
Authors:Zhao, Y, Xu, H.
Deposit date:2024-08-19
Release date:2025-04-02
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Structural characterization reveals substrate recognition by the taurine transporter TauT.
Cell Discov, 11, 2025
9J7M
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BU of 9j7m by Molmil
Cryo-EM structure of TauT
Descriptor: 2-AMINOETHANESULFONIC ACID, CHLORIDE ION, CHOLESTEROL, ...
Authors:Zhao, Y, Xu, H.
Deposit date:2024-08-19
Release date:2025-04-02
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:Structural characterization reveals substrate recognition by the taurine transporter TauT.
Cell Discov, 11, 2025
9J7O
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BU of 9j7o by Molmil
Cryo-EM structure of TauT
Descriptor: CHLORIDE ION, CHOLESTEROL, HEXADECANE, ...
Authors:Zhao, Y, Xu, H.
Deposit date:2024-08-19
Release date:2025-04-02
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Structural characterization reveals substrate recognition by the taurine transporter TauT.
Cell Discov, 11, 2025
7YE9
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BU of 7ye9 by Molmil
SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32 Fab, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X.
Deposit date:2022-07-05
Release date:2022-08-24
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (4.17 Å)
Cite:SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
4ZSO
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BU of 4zso by Molmil
Crystal structure of a complex between B7-H6, a tumor cell ligand for natural cytotoxicity receptor NKp30, and an inhibitory antibody
Descriptor: 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, ACETIC ACID, ...
Authors:Xu, X, Li, Y, Mariuzza, R.A.
Deposit date:2015-05-13
Release date:2016-05-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a complex between B7-H6, a tumor cell ligand for natural cytotoxicity receptor NKp30, and an inhibitory antibody
to be published
7YDY
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BU of 7ydy by Molmil
SARS-CoV-2 Spike (6P) in complex with 1 R1-32 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32 Fab, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X.
Deposit date:2022-07-04
Release date:2022-08-24
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (4.75 Å)
Cite:SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022

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数据于2025-07-09公开中

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