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5KUI
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BU of 5kui by Molmil
Human mitochondrial calcium uniporter (residues 72-189) crystal structure with calcium.
Descriptor: Calcium uniporter protein, mitochondrial
Authors:Mok, M.C.Y, Lee, S.K, Junop, M.S, Stathopulos, P.B.
Deposit date:2016-07-13
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Structural Insights into Mitochondrial Calcium Uniporter Regulation by Divalent Cations.
Cell Chem Biol, 23, 2016
5KUJ
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BU of 5kuj by Molmil
Human mitochondrial calcium uniporter (residues 72-189) crystal structure with magnesium.
Descriptor: Calcium uniporter protein, mitochondrial, MAGNESIUM ION
Authors:Mok, M.C.Y, Lee, S.K, Junop, M.S, Stathopulos, P.B.
Deposit date:2016-07-13
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Insights into Mitochondrial Calcium Uniporter Regulation by Divalent Cations.
Cell Chem Biol, 23, 2016
5KUG
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BU of 5kug by Molmil
Human mitochondrial calcium uniporter (residues 72-189) crystal structure with lithium
Descriptor: Calcium uniporter protein, mitochondrial
Authors:Mok, M.C.Y, Lee, S.K, Junop, M.S, Stathopulos, P.B.
Deposit date:2016-07-13
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights into Mitochondrial Calcium Uniporter Regulation by Divalent Cations.
Cell Chem Biol, 23, 2016
4ZXT
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BU of 4zxt by Molmil
Complex of ERK2 with catechol
Descriptor: AMMONIUM ION, CATECHOL, Mitogen-activated protein kinase 1, ...
Authors:Kurinov, I, Malakhova, M.
Deposit date:2015-05-20
Release date:2016-05-25
Last modified:2016-10-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:A natural small molecule, catechol, induces c-Myc degradation by directly targeting ERK2 in lung cancer.
Oncotarget, 7, 2016
6JLC
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BU of 6jlc by Molmil
Structure determination of CAMP factor of Mobiluncus curtisii and insight into structural dynamics
Descriptor: ACETATE ION, CAMP factor
Authors:Jin, T.C, Zeng, W.H.
Deposit date:2019-03-04
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.847 Å)
Cite:Structure determination of CAMP factor of Mobiluncus curtisii and insights into structural dynamics.
Int.J.Biol.Macromol., 150, 2020
8PO0
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BU of 8po0 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 12 bound to EGFRinsNPG
Descriptor: 1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.523 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PO1
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BU of 8po1 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 22 bound to EGFRinsNPG [V948R]
Descriptor: 2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor, IODIDE ION
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PO4
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BU of 8po4 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFR[V948R]
Descriptor: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Epidermal growth factor receptor, ...
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.621 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PO3
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BU of 8po3 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 18 bound to EGFR[V948R]
Descriptor: 2-methyl-5-[[3-[1-[(3~{S})-1-propanoylpyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PO2
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BU of 8po2 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFRinsNPG [V948R]
Descriptor: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PNZ
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BU of 8pnz by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 16 bound to EGFR
Descriptor: 1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
6C7O
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BU of 6c7o by Molmil
Crystal structure of D477G ACO/RPE65 chimera, trigonal crystal form
Descriptor: Apocarotenoid-15,15'-oxygenase, FE (II) ION
Authors:Kiser, P.D, Shi, W.
Deposit date:2018-01-23
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Insights into the pathogenesis of dominant retinitis pigmentosa associated with a D477G mutation in RPE65.
Hum.Mol.Genet., 27, 2018
6C7K
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BU of 6c7k by Molmil
Crystal structure of an ACO/RPE65 chimera
Descriptor: Apocarotenoid-15,15'-oxygenase, CHLORIDE ION, FE (II) ION
Authors:Kiser, P.D, Shi, W.
Deposit date:2018-01-22
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insights into the pathogenesis of dominant retinitis pigmentosa associated with a D477G mutation in RPE65.
Hum.Mol.Genet., 27, 2018
6C7P
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BU of 6c7p by Molmil
Crystal structure of D477G ACO/RPE65 chimera, monoclinic crystal form
Descriptor: Apocarotenoid-15,15'-oxygenase, FE (II) ION
Authors:Kiser, P.D, Shi, W.
Deposit date:2018-01-23
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Insights into the pathogenesis of dominant retinitis pigmentosa associated with a D477G mutation in RPE65.
Hum.Mol.Genet., 27, 2018
3SA0
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BU of 3sa0 by Molmil
Complex of ERK2 with norathyriol
Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, norathyriol
Authors:Kurinov, I, Malakhova, M.
Deposit date:2011-06-02
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5947 Å)
Cite:Norathyriol Suppresses Skin Cancers Induced by Solar Ultraviolet Radiation by Targeting ERK Kinases.
Cancer Res., 72, 2012
7CKK
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BU of 7ckk by Molmil
Structural complex of FTO bound with Dac51
Descriptor: 2-{[2,6-dichloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino}-N-hydroxybenzamide, Alpha-ketoglutarate-dependent dioxygenase FTO, N-OXALYLGLYCINE
Authors:Yang, C, Gan, J.
Deposit date:2020-07-17
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Tumors exploit FTO-mediated regulation of glycolytic metabolism to evade immune surveillance.
Cell Metab., 33, 2021
5TP0
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BU of 5tp0 by Molmil
Human mesotrypsin in complex with diminazene
Descriptor: BERENIL, CALCIUM ION, SULFATE ION, ...
Authors:Kayode, O, Soares, A, Radisky, E.S.
Deposit date:2016-10-19
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Small molecule inhibitors of mesotrypsin from a structure-based docking screen.
PLoS ONE, 12, 2017
7WCV
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BU of 7wcv by Molmil
Co-crystal structure of FTO bound to 6e
Descriptor: 2-OXOGLUTARIC ACID, 2-[[2,6-bis(chloranyl)-4-pyridin-4-yl-phenyl]amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, ...
Authors:Yang, C.-G, Gan, J.H.
Deposit date:2021-12-20
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Activity Relationships and Antileukemia Effects of the Tricyclic Benzoic Acid FTO Inhibitors.
J.Med.Chem., 65, 2022
5Y2G
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BU of 5y2g by Molmil
Structure of MBP tagged GBS CAMP
Descriptor: Maltose-binding periplasmic protein,Protein B, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Jin, T, Li, Y.
Deposit date:2017-07-25
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure determination of the CAMP factor of Streptococcus agalactiae with the aid of an MBP tag and insights into membrane-surface attachment.
Acta Crystallogr D Struct Biol, 75, 2019
5WP1
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BU of 5wp1 by Molmil
Complex of ERK2 with 5,7-dihydroxychromone
Descriptor: 5,7-dihydroxy-4H-1-benzopyran-4-one, BENZOIC ACID, Mitogen-activated protein kinase 1, ...
Authors:Kurinov, I, Malakhova, M.
Deposit date:2017-08-03
Release date:2018-08-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Multiple phytochemicals at low doses accumulatively inhibit one key protein in cancers
To Be Published
7D3D
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BU of 7d3d by Molmil
Crystal structure of SPOP bound with a peptide
Descriptor: GLU-VAL-SER-ILE-ILE-GLN-GLY-ALA-ASP-SER-THR-THR, GLYCEROL, Speckle-type POZ protein
Authors:Yang, C.-G, Gan, J.H.
Deposit date:2020-09-18
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A peptide binder of E3 ligase adaptor SPOP disrupts oncogenic SPOP-protein interactions in kidney cancer cells.
Chin.J.Chem., 39, 2021
8XQ4
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BU of 8xq4 by Molmil
Structure of the sea urchin spSLC9C1 in state-2 w/o cAMP protomer
Descriptor: Sperm-specific sodium proton exchanger
Authors:Qu, H, Zheng, X.
Deposit date:2024-01-04
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structures of a sperm-specific sodium-hydrogen exchanger.
Cell Insight, 3, 2024
8XQ8
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BU of 8xq8 by Molmil
Structure of the sea urchin spSLC9C1 in state-1 w/ cAMP protomer
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Sperm-specific sodium proton exchanger
Authors:Qu, H, Zheng, X.
Deposit date:2024-01-04
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Structures of a sperm-specific sodium-hydrogen exchanger.
Cell Insight, 3, 2024
8XQA
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BU of 8xqa by Molmil
Structure of the sea urchin spSLC9C1 in state-3 w/ cAMP dimer
Descriptor: Sperm-specific sodium proton exchanger
Authors:Qu, H, Zheng, X.
Deposit date:2024-01-04
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Structures of a sperm-specific sodium-hydrogen exchanger.
Cell Insight, 3, 2024
8XQ7
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BU of 8xq7 by Molmil
Structure of the sea urchin spSLC9C1 in state-1 w/ cAMP dimer
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Sperm-specific sodium proton exchanger
Authors:Qu, H, Zheng, X.
Deposit date:2024-01-04
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Structures of a sperm-specific sodium-hydrogen exchanger.
Cell Insight, 3, 2024

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