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7DUO
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BU of 7duo by Molmil
Crystal structure of daratumumab fab and CD38 complex
Descriptor: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Fab heavy chain, Fab light chain
Authors:Yu, X.J, Wang, L, Yu, C.F.
Deposit date:2021-01-10
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Crystal structure of daratumumab fab and CD38 complex
To Be Published
7DUN
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BU of 7dun by Molmil
Crystal structure of Fab fragment of Daratumumab
Descriptor: Fab heavy chain, Fab light chain
Authors:Yu, X.J, Wang, L, Yu, C.F.
Deposit date:2021-01-10
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.607 Å)
Cite:Crystal structure of Fab fragment of Daratumumab
To Be Published
7CQI
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BU of 7cqi by Molmil
Cryo-EM structure of the substrate-bound SPT-ORMDL3 complex
Descriptor: ORM1-like protein 3, Serine palmitoyltransferase 1, Serine palmitoyltransferase 2, ...
Authors:Li, S.S, Xie, T, Wang, L, Gong, X.
Deposit date:2020-08-11
Release date:2021-02-10
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insights into the assembly and substrate selectivity of human SPT-ORMDL3 complex.
Nat.Struct.Mol.Biol., 28, 2021
7CQK
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BU of 7cqk by Molmil
Cryo-EM structure of the substrate-bound SPT-ORMDL3 complex
Descriptor: ORM1-like protein 3, Serine palmitoyltransferase 1, Serine palmitoyltransferase 2, ...
Authors:Li, S.S, Xie, T, Wang, L, Gong, X.
Deposit date:2020-08-11
Release date:2021-02-10
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into the assembly and substrate selectivity of human SPT-ORMDL3 complex.
Nat.Struct.Mol.Biol., 28, 2021
7EXX
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BU of 7exx by Molmil
The structure of DndG
Descriptor: DNA phosphorothioation-dependent restriction protein DptG, SODIUM ION
Authors:Wu, D, Wang, L.
Deposit date:2021-05-28
Release date:2022-06-01
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The functional coupling between restriction and DNA phosphorothioate modification systems underlying the DndFGH restriction complex
Nat Catal, 2022
7FJG
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BU of 7fjg by Molmil
Crystal structure of butanol dehydrogenase A (YqdH) in complex with partial NADH from Fusobacterium nucleatum
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FE (III) ION, NADH-dependent butanol dehydrogenase A
Authors:Bai, X, Lan, J, Wang, L, Bu, T, Xu, Y.
Deposit date:2021-08-03
Release date:2022-06-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Crystal structure of butanol dehydrogenase A (YqdH) in complex with partial NADH from Fusobacterium nucleatum
To Be Published
7FDV
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BU of 7fdv by Molmil
Cryo-EM structure of the human cholesterol transporter ABCG1 in complex with cholesterol
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family G member 1, CHOLESTEROL, ...
Authors:Xu, D, Li, Y.Y, Yang, F.R, Sun, C.R, Pan, J.H, Wang, L, Chen, Z.P, Fang, S.C, Yao, X.B, Hou, W.T, Zhou, C.Z, Chen, Y.
Deposit date:2021-07-18
Release date:2022-06-22
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structure and transport mechanism of the human cholesterol transporter ABCG1.
Cell Rep, 38, 2022
7WWS
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BU of 7wws by Molmil
Structure of a triple-helix region of human collagen type III from Trautec
Descriptor: Collagen alpha-1(III) chain
Authors:Qian, S, Li, H, Fan, X, Tian, X, Li, J, Wang, L, Chu, Y.
Deposit date:2022-02-14
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of a triple-helix region of human collagen type III from Trautec
To Be Published
7XAN
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BU of 7xan by Molmil
Structure of a triple-helix region of human collagen type III from Trautec
Descriptor: Collagen alpha-1(III) chain
Authors:Qian, S, Li, H, Fan, X, Tian, X, Li, J, Wang, L, Chu, Y.
Deposit date:2022-03-18
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a triple-helix region of human collagen type III from Trautec
To Be Published
7WWR
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BU of 7wwr by Molmil
Structure of a triple-helix region of human collagen type III from Trautec
Descriptor: Collagen alpha-1(III) chain
Authors:Qian, S, Li, H, Fan, X, Tian, X, Li, J, Wang, L, Chu, Y.
Deposit date:2022-02-14
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of a triple-helix region of human collagen type III from Trautec
To Be Published
7WVK
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BU of 7wvk by Molmil
Crystal structure of human WDR5 in complex with compound 19
Descriptor: 1,2-ETHANEDIOL, 1-[2,5-bis(chloranyl)phenyl]sulfonylbenzimidazole, GLYCEROL, ...
Authors:Han, Q.L, Zhang, X.L, Wang, L, Ren, P.X, Cao, Y, Li, K, Bai, F.
Deposit date:2022-02-10
Release date:2022-10-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Discovery, evaluation and mechanism study of WDR5-targeted small molecular inhibitors for neuroblastoma.
Acta Pharmacol.Sin., 44, 2023
7TB4
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BU of 7tb4 by Molmil
Cryo-EM structure of the spike of SARS-CoV-2 Omicron variant of concern
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Surface glycoprotein
Authors:Zhou, T, Tsybovsky, T, Kwong, P.D.
Deposit date:2021-12-21
Release date:2022-01-12
Last modified:2022-01-19
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Antibodies with potent and broad neutralizing activity against antigenically diverse and highly transmissible SARS-CoV-2 variants.
Biorxiv, 2021
8WD8
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BU of 8wd8 by Molmil
Cryo-EM structure of TtdAgo-guide DNA-target DNA complex
Descriptor: Argonaute family protein, Guide DNA, MAGNESIUM ION, ...
Authors:Zhuang, L.
Deposit date:2023-09-14
Release date:2024-01-31
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular mechanism for target recognition, dimerization, and activation of Pyrococcus furiosus Argonaute.
Mol.Cell, 84, 2024
6EGE
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BU of 6ege by Molmil
Crystal structure of the unphosphorylated IRAK4 kinase domain Bound to a type I inhibitor
Descriptor: Interleukin-1 receptor-associated kinase 4, N-[2-methoxy-4-(morpholin-4-yl)phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
Authors:Ferrao, R, Liu, Q, Wu, H.
Deposit date:2018-08-19
Release date:2019-02-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Conformational flexibility and inhibitor binding to unphosphorylated interleukin-1 receptor-associated kinase 4 (IRAK4).
J.Biol.Chem., 294, 2019
8DZB
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BU of 8dzb by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor 11
Descriptor: 3C-like proteinase nsp5, GLYCEROL, benzyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidin-3-yl}carbamate
Authors:Sacco, M, Chen, Y.
Deposit date:2022-08-06
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Development of the Safe and Broad-Spectrum Aldehyde and Ketoamide Mpro inhibitors Derived from the Constrained alpha , gamma-AA Peptide Scaffold.
Chemistry, 29, 2023
8DZC
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BU of 8dzc by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor 17
Descriptor: (3,5-difluorophenyl)methyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-6-oxopiperidin-3-yl}carbamate, 3C-like proteinase nsp5, GLYCEROL
Authors:Sacco, M, Chen, Y.
Deposit date:2022-08-06
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Development of the Safe and Broad-Spectrum Aldehyde and Ketoamide Mpro inhibitors Derived from the Constrained alpha , gamma-AA Peptide Scaffold.
Chemistry, 29, 2023
8GQE
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BU of 8gqe by Molmil
Crystal structure of the W285A mutant of UVR8 in complex with RUP2
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ultraviolet-B receptor UVR8, WD repeat-containing protein RUP2
Authors:Wang, Y.D, Wang, L.X, Guan, Z.Y, chang, H.F, Yin, P.
Deposit date:2022-08-30
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:RUP2 facilitates UVR8 redimerization via two interfaces.
Plant Commun., 4, 2023
7TYM
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BU of 7tym by Molmil
Cryo-EM Structure of insulin receptor-related receptor (IRR) in active-state captured at pH 9. The 3D refinement was applied with C2 symmetry
Descriptor: Insulin receptor-related protein
Authors:Wang, L.W, Hall, C, Li, J, Choi, E, Bai, X.C.
Deposit date:2022-02-13
Release date:2023-02-15
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of the alkaline pH-dependent activation of insulin receptor-related receptor.
Nat.Struct.Mol.Biol., 30, 2023
7TYJ
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BU of 7tyj by Molmil
Cryo-EM Structure of insulin receptor-related receptor (IRR) in apo-state captured at pH 7. The 3D refinement was focused on one of two halves with C1 symmetry applied
Descriptor: Insulin receptor-related protein
Authors:Wang, L.W, Hall, C, Li, J, Choi, E, Bai, X.C.
Deposit date:2022-02-13
Release date:2023-02-15
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis of the alkaline pH-dependent activation of insulin receptor-related receptor.
Nat.Struct.Mol.Biol., 30, 2023
7TYK
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BU of 7tyk by Molmil
Cryo-EM Structure of insulin receptor-related receptor (IRR) in apo-state captured at pH 7. The 3D refinement was applied with C2 symmetry
Descriptor: Insulin receptor-related protein
Authors:Wang, L.W, Hall, C, Li, J, Choi, E, Bai, X.C.
Deposit date:2022-02-13
Release date:2023-02-15
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of the alkaline pH-dependent activation of insulin receptor-related receptor.
Nat.Struct.Mol.Biol., 30, 2023
4U44
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BU of 4u44 by Molmil
MAP4K4 in complex with inhibitor (compound 16)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-phenyl-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, Mitogen-activated protein kinase kinase kinase kinase 4, ...
Authors:Harris, S.F, Wu, P, Coons, M.
Deposit date:2014-07-23
Release date:2014-09-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4U43
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BU of 4u43 by Molmil
MAP4K4 in complex with inhibitor (compound 6)
Descriptor: Mitogen-activated protein kinase kinase kinase kinase 4, N-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
Authors:Harris, S.F, Wu, P, Coons, M.
Deposit date:2014-07-23
Release date:2014-09-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4U45
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BU of 4u45 by Molmil
MAP4K4 in complex with inhibitor (compound 25)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(1H-pyrazol-4-yl)-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, MAGNESIUM ION, ...
Authors:Harris, S.F, Wu, P, Coons, M.
Deposit date:2014-07-23
Release date:2014-09-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
6L5T
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BU of 6l5t by Molmil
The crystal structure of SADS-CoV Papain Like protease
Descriptor: Peptidase C16, ZINC ION
Authors:Fan, C.P.
Deposit date:2019-10-24
Release date:2020-04-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural and biochemical characterization of SADS-CoV papain-like protease 2.
Protein Sci., 29, 2020
5UEY
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BU of 5uey by Molmil
BRD4_BD2_A-1412838
Descriptor: 5-[2-(2,4-difluorophenoxy)-5-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl]-4-ethoxy-1-methylpyridin-2(1H)-one, Bromodomain-containing protein 4
Authors:Park, C.H.
Deposit date:2017-01-03
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017

221051

數據於2024-06-12公開中

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