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7BWN
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BU of 7bwn by Molmil
Crystal Structure of a Designed Protein Heterocatenane
Descriptor: Cellular tumor antigen p53, Chimera of Green fluorescent protein and p53dim
Authors:Liu, Y.J, Duan, Z.L, Fang, J, Zhang, F, Xiao, J.Y, Zhang, W.B.
Deposit date:2020-04-15
Release date:2020-06-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.396 Å)
Cite:Cellular Synthesis and X-ray Crystal Structure of a Designed Protein Heterocatenane.
Angew.Chem.Int.Ed.Engl., 59, 2020
8K2P
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BU of 8k2p by Molmil
Crystal structure of CtGST-F76A
Descriptor: Glutathione S-transferase
Authors:Yang, J, Xiao, J.Y, Lei, X.G.
Deposit date:2023-07-13
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Enzymatic Degradation of Deoxynivalenol with the Engineered Detoxification Enzyme Fhb7.
Jacs Au, 4, 2024
8K2O
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BU of 8k2o by Molmil
Crystal structure of Fhb7-M10
Descriptor: Fhb7-M10
Authors:Yang, J, Lei, X.G, Xiao, J.Y.
Deposit date:2023-07-13
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Enzymatic Degradation of Deoxynivalenol with the Engineered Detoxification Enzyme Fhb7.
Jacs Au, 4, 2024
8JFL
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BU of 8jfl by Molmil
PhK holoenzyme in active state, muscle isoform
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FARNESYL, Phosphorylase b kinase gamma catalytic chain, ...
Authors:Yang, X.K, Xiao, J.Y.
Deposit date:2023-05-18
Release date:2024-04-03
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Architecture and activation of human muscle phosphorylase kinase.
Nat Commun, 15, 2024
8JFK
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BU of 8jfk by Molmil
PhK holoenzyme in inactive state, muscle isoform
Descriptor: Calmodulin-1, FARNESYL, Phosphorylase b kinase gamma catalytic chain, ...
Authors:Yang, X.K, Xiao, J.Y.
Deposit date:2023-05-18
Release date:2024-04-03
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Architecture and activation of human muscle phosphorylase kinase.
Nat Commun, 15, 2024
5WRR
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BU of 5wrr by Molmil
Crystal structure of Fam20A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Pseudokinase FAM20A
Authors:Zhu, Q.
Deposit date:2016-12-03
Release date:2017-05-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.506 Å)
Cite:Structure of Fam20A reveals a pseudokinase featuring a unique disulfide pattern and inverted ATP-binding
Elife, 6, 2017
5WRS
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BU of 5wrs by Molmil
Crystal Structure of Fam20A in complex with ATP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Zhu, Q.
Deposit date:2016-12-03
Release date:2017-05-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure of Fam20A reveals a pseudokinase featuring a unique disulfide pattern and inverted ATP-binding
Elife, 6, 2017
7YOC
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BU of 7yoc by Molmil
Crystal structure of Fhb7
Descriptor: Fhb7
Authors:Yang, J, Liang, K, Xiao, J.Y, Lei, X.G.
Deposit date:2022-08-01
Release date:2024-02-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Enzymatic Degradation of Deoxynivalenol with the Engineered Detoxification Enzyme Fhb7.
Jacs Au, 4, 2024
8Y6K
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BU of 8y6k by Molmil
Cryo-EM structure of full-length MICAL1 in the autoinhibited state
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, ZINC ION, [F-actin]-monooxygenase MICAL1
Authors:Niu, F, Wei, Z.
Deposit date:2024-02-02
Release date:2024-08-28
Last modified:2024-09-25
Method:ELECTRON MICROSCOPY (3.94 Å)
Cite:Autoinhibition and relief mechanisms for MICAL monooxygenases in F-actin disassembly.
Nat Commun, 15, 2024
5GJA
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BU of 5gja by Molmil
Crystal structure of Arabidopsis thaliana ACO2 in complex with 2-PA
Descriptor: 1-aminocyclopropane-1-carboxylate oxidase 2, PYRIDINE-2-CARBOXYLIC ACID, ZINC ION
Authors:Sun, X.Z, Li, Y.X, He, W.R, Ji, C.G, Xia, P.X, Wang, Y.C, Du, S, Li, H.J, Raikhel, N, Xiao, J.Y, Guo, H.W.
Deposit date:2016-06-28
Release date:2017-05-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pyrazinamide and derivatives block ethylene biosynthesis by inhibiting ACC oxidase.
Nat Commun, 8, 2017
5GJ9
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BU of 5gj9 by Molmil
Crystal structure of Arabidopsis thaliana ACO2 in complex with POA
Descriptor: 1-aminocyclopropane-1-carboxylate oxidase 2, PYRAZINE-2-CARBOXYLIC ACID, ZINC ION
Authors:Sun, X.Z, Li, Y.X, He, W.R, Ji, C.G, Xia, P.X, Wang, Y.C, Du, S, Li, H.J, Raikhel, N, Xiao, J.Y, Guo, H.W.
Deposit date:2016-06-28
Release date:2017-05-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pyrazinamide and derivatives block ethylene biosynthesis by inhibiting ACC oxidase.
Nat Commun, 8, 2017
5KQ5
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BU of 5kq5 by Molmil
AMPK bound to allosteric activator
Descriptor: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ...
Authors:Calabrese, M.F, Kurumbail, R.G.
Deposit date:2016-07-05
Release date:2016-08-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:Discovery and Preclinical Characterization of 6-Chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic Acid (PF-06409577), a Direct Activator of Adenosine Monophosphate-activated Protein Kinase (AMPK), for the Potential Treatment of Diabetic Nephropathy.
J.Med.Chem., 59, 2016
6KWX
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BU of 6kwx by Molmil
cryo-EM structure of human PA200
Descriptor: INOSITOL HEXAKISPHOSPHATE, Proteasome activator complex subunit 4, [(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-[oxidanyl(phosphonooxy)phosphoryl]oxy-3,4,5,6-tetraphosphonooxy-cyclohexyl] phosphono hydrogen phosphate
Authors:Ouyang, S, Hongxin, G.
Deposit date:2019-09-09
Release date:2020-04-01
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:Cryo-EM structures of the human PA200 and PA200-20S complex reveal regulation of proteasome gate opening and two PA200 apertures.
Plos Biol., 18, 2020
7X6Z
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BU of 7x6z by Molmil
TRIM7 in complex with C-terminal peptide of NSP12
Descriptor: E3 ubiquitin-protein ligase TRIM7, peptide
Authors:Zhang, H, Liang, X, Li, X.Z.
Deposit date:2022-03-08
Release date:2022-08-10
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures.
Nat.Chem.Biol., 18, 2022
7X70
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BU of 7x70 by Molmil
TRIM7 in complex with C-terminal peptide of NSP8
Descriptor: E3 ubiquitin-protein ligase TRIM7, peptide
Authors:Zhang, H, Liang, X, Li, X.Z.
Deposit date:2022-03-08
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures.
Nat.Chem.Biol., 18, 2022
7X6Y
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BU of 7x6y by Molmil
TRIM7 in complex with C-terminal peptide of NSP5
Descriptor: E3 ubiquitin-protein ligase TRIM7, peptide
Authors:Zhang, H, Liang, X, Li, X.Z.
Deposit date:2022-03-08
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures.
Nat.Chem.Biol., 18, 2022
8KHD
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BU of 8khd by Molmil
The interface structure of Omicron RBD binding to 5817 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 5817, Light chain of 5817, ...
Authors:Cao, L, Wang, X.
Deposit date:2023-08-21
Release date:2024-04-17
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Identification of a broad sarbecovirus neutralizing antibody targeting a conserved epitope on the receptor-binding domain.
Cell Rep, 43, 2024
8KHC
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BU of 8khc by Molmil
SARS-CoV-2 Omicron spike in complex with 5817 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 5817 Fab, ...
Authors:Cao, L, Wang, X.
Deposit date:2023-08-21
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Identification of a broad sarbecovirus neutralizing antibody targeting a conserved epitope on the receptor-binding domain.
Cell Rep, 43, 2024
7JXZ
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BU of 7jxz by Molmil
Structure of HbA with compound (S)-4
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine, CARBON MONOXIDE, ...
Authors:Jasti, J.
Deposit date:2020-08-28
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
7JY0
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BU of 7jy0 by Molmil
Structure of HbA with compound 9
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide, CARBON MONOXIDE, ...
Authors:Jasti, J.
Deposit date:2020-08-28
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
7JY1
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BU of 7jy1 by Molmil
Structure of HbA with compound 19
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
Authors:Jasti, J.
Deposit date:2020-08-28
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
7JY3
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BU of 7jy3 by Molmil
Structure of HbA with compound 23 (PF-07059013)
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one, Hemoglobin subunit alpha, ...
Authors:Jasti, J.
Deposit date:2020-08-28
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
4ZJB
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BU of 4zjb by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) in complex with holo-ACP from Helicobacter pylori
Descriptor: 3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ, 4'-PHOSPHOPANTETHEINE, Acyl carrier protein, ...
Authors:Zhang, L, Zhang, L, Shen, X, Jiang, H.
Deposit date:2015-04-29
Release date:2016-11-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of FabZ-ACP complex reveals a dynamic seesaw-like catalytic mechanism of dehydratase in fatty acid biosynthesis.
Cell Res., 26, 2016
6FKQ
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BU of 6fkq by Molmil
THE CRYSTAL STRUCTURE OF A FRAGMENT OF NETRIN-1 IN COMPLEX WITH A FRAGMENT OF DRAXIN
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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Bhowmick, T, Meijers, R.
Deposit date:2018-01-24
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Structural Basis for Draxin-Modulated Axon Guidance and Fasciculation by Netrin-1 through DCC.
Neuron, 97, 2018
3PS6
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BU of 3ps6 by Molmil
Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Descriptor: 4-amino-N-(6-methoxypyridin-3-yl)-2-methylquinazoline-8-carboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R, Greasley, S.E, Rogers, C.M.-L.
Deposit date:2010-11-30
Release date:2011-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011

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