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7WUI
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BU of 7wui by Molmil
Tethered peptide activation mechanism of adhesion GPCRs ADGRG2 and ADGRG4
Descriptor: Adhesion G-protein coupled receptor G2,mCherry, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Guo, S.C, He, Q.T, Xiao, P, Sun, J.P, Yu, X.
Deposit date:2022-02-08
Release date:2022-04-27
Last modified:2022-05-11
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Tethered peptide activation mechanism of the adhesion GPCRs ADGRG2 and ADGRG4.
Nature, 604, 2022
6P7G
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BU of 6p7g by Molmil
The co-crystal structure of BRAF(V600E) with PHI1
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-[4-({[2-(morpholin-4-yl)ethyl]amino}methyl)-3-(trifluoromethyl)phenyl]benzamide, Serine/threonine-protein kinase B-raf
Authors:Agianian, B, Gavathiotis, E.
Deposit date:2019-06-05
Release date:2020-09-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Inhibitors of BRAF dimers using an allosteric site.
Nat Commun, 11, 2020
8JP2
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BU of 8jp2 by Molmil
Crystal structure of AKR1C1 in complex with DFV
Descriptor: 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, X.H, Liu, H, Yao, Z.Q, Zhang, L.P.
Deposit date:2023-06-10
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibition of AKR1Cs by liquiritigenin and the structural basis.
Chem.Biol.Interact., 385, 2023
8JP1
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BU of 8jp1 by Molmil
Crystal structure of AKR1C3 in complex with DFV
Descriptor: 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, X.H, Liu, H, Yao, Z.Q, Zhang, L.P.
Deposit date:2023-06-10
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of AKR1Cs by liquiritigenin and the structural basis.
Chem.Biol.Interact., 385, 2023
6P3D
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BU of 6p3d by Molmil
The co-crystal structure of BRAF(V600E) with ponatinib
Descriptor: 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, AMMONIUM ION, ...
Authors:Agianian, B, Gavathiotis, E.
Deposit date:2019-05-23
Release date:2020-09-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Inhibitors of BRAF dimers using an allosteric site.
Nat Commun, 11, 2020
2GKD
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BU of 2gkd by Molmil
Structural insight into self-sacrifice mechanism of enediyne resistance
Descriptor: 5'-D(*CP*TP*AP*TP*CP*AP*TP*AP*TP*GP*C)-3', 5'-D(*GP*CP*AP*TP*AP*TP*GP*AP*TP*AP*G)-3', CalC
Authors:Singh, S, Thorson, J.S.
Deposit date:2006-04-01
Release date:2006-08-22
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural insight into the self-sacrifice mechanism of enediyne resistance.
Acs Chem.Biol., 1, 2006
2L65
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BU of 2l65 by Molmil
HADDOCK calculated model of the complex of the resistance protein CalC and Calicheamicin-Gamma
Descriptor: 2,4-dideoxy-4-(ethylamino)-3-O-methyl-alpha-L-threo-pentopyranose-(1-2)-4-amino-4,6-dideoxy-beta-D-glucopyranose, 2,6-dideoxy-4-thio-beta-D-allopyranose, 3-O-methyl-alpha-L-rhamnopyranose, ...
Authors:Singh, S, Markley, J.L, Thorson, J.S, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2010-11-15
Release date:2011-03-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural insight into the self-sacrifice mechanism of enediyne resistance.
Acs Chem.Biol., 1, 2006
8WMI
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BU of 8wmi by Molmil
Cryo-EM structure of DiCas7-11 mutant in complex with crRNA
Descriptor: CRISPR-associated RAMP family protein, ZINC ION, crRNA (39-MER)
Authors:Ma, H.Y, Tang, X.D.
Deposit date:2023-10-03
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Structural basis of negative regulation of CRISPR-Cas7-11 by TPR-CHAT.
Signal Transduct Target Ther, 9, 2024
7EPT
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BU of 7ept by Molmil
Structural basis for the tethered peptide activation of adhesion GPCRs
Descriptor: Adhesion G-protein coupled receptor D1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Ping, Y.-Q, Xiao, P, Yang, F, Zhao, R.-J, Guo, S.-C, Yan, X, Wu, X, Liebscher, I, Xu, H.E, Sun, J.-P.
Deposit date:2021-04-27
Release date:2022-05-11
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for the tethered peptide activation of adhesion GPCRs.
Nature, 604, 2022
7EQ1
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BU of 7eq1 by Molmil
GPR114-Gs-scFv16 complex
Descriptor: Adhesion G-protein coupled receptor G5, Gs protein alpha subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Ping, Y.
Deposit date:2021-04-28
Release date:2022-05-11
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for the tethered peptide activation of adhesion GPCRs.
Nature, 604, 2022
7C43
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BU of 7c43 by Molmil
The crystal structure of Trypanosoma brucei RNase D : AMP complex
Descriptor: ADENOSINE MONOPHOSPHATE, CCHC-type domain-containing protein, MANGANESE (II) ION, ...
Authors:Gao, Y.Q, Gan, J.H.
Deposit date:2020-05-14
Release date:2021-04-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for guide RNA trimming by RNase D ribonuclease in Trypanosoma brucei.
Nucleic Acids Res., 49, 2021
7C4B
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BU of 7c4b by Molmil
The crystal structure of Trypanosoma brucei RNase D : UMP complex
Descriptor: CCHC-type domain-containing protein, MANGANESE (II) ION, URIDINE-5'-MONOPHOSPHATE, ...
Authors:Gao, Y.Q, Gan, J.H.
Deposit date:2020-05-15
Release date:2021-04-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structural basis for guide RNA trimming by RNase D ribonuclease in Trypanosoma brucei.
Nucleic Acids Res., 49, 2021
7C4C
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BU of 7c4c by Molmil
The crystal structure of Trypanosoma brucei RNase D : GMP complex
Descriptor: CCHC-type domain-containing protein, GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, ...
Authors:Gao, Y.Q, Gan, J.H.
Deposit date:2020-05-15
Release date:2021-04-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.265 Å)
Cite:Structural basis for guide RNA trimming by RNase D ribonuclease in Trypanosoma brucei.
Nucleic Acids Res., 49, 2021
7C45
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BU of 7c45 by Molmil
The crystal structure of Trypanosoma brucei RNase D complex with RNA U12
Descriptor: CALCIUM ION, CCHC-type domain-containing protein, RNA (5'-R(*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3'), ...
Authors:Gao, Y.Q, Gan, J.H.
Deposit date:2020-05-15
Release date:2021-04-07
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.769 Å)
Cite:Structural basis for guide RNA trimming by RNase D ribonuclease in Trypanosoma brucei.
Nucleic Acids Res., 49, 2021
7C47
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BU of 7c47 by Molmil
The crystal structure of Trypanosoma brucei RNase D : CMP complex
Descriptor: CCHC-type domain-containing protein, CYTIDINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, ...
Authors:Gao, Y.Q, Gan, J.H.
Deposit date:2020-05-15
Release date:2021-04-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for guide RNA trimming by RNase D ribonuclease in Trypanosoma brucei.
Nucleic Acids Res., 49, 2021
7C42
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BU of 7c42 by Molmil
The crystal structure of Trypanosoma brucei RNase D
Descriptor: CCHC-type domain-containing protein, ZINC ION
Authors:Gao, Y.Q, Gan, J.H.
Deposit date:2020-05-14
Release date:2021-04-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for guide RNA trimming by RNase D ribonuclease in Trypanosoma brucei.
Nucleic Acids Res., 49, 2021
7WMH
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BU of 7wmh by Molmil
A novel chemical derivative(56) of THRB agonist
Descriptor: 2-[[1-methoxy-4-oxidanyl-7-(4-phenylphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
Authors:Yao, B.Q, Li, Y.
Deposit date:2022-01-14
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7WMG
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BU of 7wmg by Molmil
A novel chemical derivative(52) of THRB agonist
Descriptor: 2-[[1-methoxy-4-oxidanyl-7-(4-phenoxyphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
Authors:Yao, B.Q, Li, Y.
Deposit date:2022-01-14
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7WMJ
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BU of 7wmj by Molmil
A novel chemical derivative(71) of THRB agonist
Descriptor: 2-[[7-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
Authors:Yao, B.Q, Li, Y.
Deposit date:2022-01-14
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7MEJ
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BU of 7mej by Molmil
CryoEM structure of SARS-CoV-2 RBD in complex with nanobodies Nb21 and Nb36
Descriptor: Nanobody Nb21, Nanobody Nb36, Spike protein S1
Authors:Huang, W, Taylor, D.J.
Deposit date:2021-04-06
Release date:2021-08-11
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Potent neutralizing nanobodies resist convergent circulating variants of SARS-CoV-2 by targeting diverse and conserved epitopes
Nat Commun, 12, 2021
7MDW
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BU of 7mdw by Molmil
CryoEM structure of SARS-CoV-2 RBD in complex with nanobodies Nb21 and Nb105
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, nanobody Nb105, ...
Authors:Huang, W, Taylor, D.J.
Deposit date:2021-04-06
Release date:2021-08-11
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Potent neutralizing nanobodies resist convergent circulating variants of SARS-CoV-2 by targeting diverse and conserved epitopes
Nat Commun, 12, 2021
7ME7
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BU of 7me7 by Molmil
CryoEM structure of SARS-CoV-2 RBD in complex with nanobodies Nb17 and Nb105
Descriptor: Nanobody Nb105, Nanobody Nb17, Spike protein S1
Authors:Huang, W, Taylor, D.J.
Deposit date:2021-04-06
Release date:2021-08-11
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Potent neutralizing nanobodies resist convergent circulating variants of SARS-CoV-2 by targeting diverse and conserved epitopes
Nat Commun, 12, 2021
7MTR
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BU of 7mtr by Molmil
CryoEM Structure of Full-Length mGlu2 Bound to Ago-PAM ADX55164 and Glutamate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methoxy-6-propyl-N-(2-{4-[(1H-tetrazol-5-yl)methoxy]phenyl}ethyl)thieno[2,3-d]pyrimidin-4-amine, GLUTAMIC ACID, ...
Authors:Seven, A.B, Barros-Alvarez, X, Skiniotis, G.
Deposit date:2021-05-13
Release date:2021-07-07
Last modified:2021-09-08
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:G-protein activation by a metabotropic glutamate receptor.
Nature, 595, 2021
7MTQ
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BU of 7mtq by Molmil
CryoEM Structure of Full-Length mGlu2 in Inactive-State Bound to Antagonist LY341495
Descriptor: 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2
Authors:Seven, A.B, Barros-Alvarez, X, Skiniotis, G.
Deposit date:2021-05-13
Release date:2021-07-07
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:G-protein activation by a metabotropic glutamate receptor.
Nature, 595, 2021
7MTS
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BU of 7mts by Molmil
CryoEM Structure of mGlu2 - Gi Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methoxy-6-propyl-N-(2-{4-[(1H-tetrazol-5-yl)methoxy]phenyl}ethyl)thieno[2,3-d]pyrimidin-4-amine, GLUTAMIC ACID, ...
Authors:Seven, A.B, Barros-Alvarez, X, Skiniotis, G.
Deposit date:2021-05-13
Release date:2021-07-07
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:G-protein activation by a metabotropic glutamate receptor.
Nature, 595, 2021

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数据于2024-10-16公开中

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