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6KEY
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BU of 6key by Molmil
Structural basis for the regulation of inducible nitric oxide synthase (iNOS) by the SPRY domain-containing SOCS box protein 2 (SPSB2)
分子名称: Nitric oxide synthase, inducible, SPRY domain-containing SOCS box protein 2
著者Li, K, Kuang, Z.
登録日2019-07-05
公開日2020-07-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Structural basis for the regulation of inducible nitric oxide synthase by the SPRY domain-containing SOCS box protein SPSB2, an E3 ubiquitin ligase.
Nitric Oxide, 113-114, 2021
5WOB
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BU of 5wob by Molmil
Crystal Structure Analysis of Fab1-Bound Human Insulin Degrading Enzyme (IDE) in Complex with Insulin
分子名称: IDE-bound Fab heavy chain, IDE-bound Fab light chain, Insulin, ...
著者McCord, L.A, Liang, W.G, Farcasanu, M, Wang, A.G, Koide, S, Tang, W.J.
登録日2017-08-01
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.95 Å)
主引用文献Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme.
Elife, 7, 2018
7X4X
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BU of 7x4x by Molmil
BTB domain of KEAP1 in complex with MEF
分子名称: 4-ethoxy-4-oxobutanoic acid, Kelch-like ECH-associated protein 1
著者Qu, L.Z.
登録日2022-03-03
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Characterization of the modification of Kelch-like ECH-associated protein 1 by different fumarates.
Biochem.Biophys.Res.Commun., 605, 2022
7X4W
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BU of 7x4w by Molmil
Crystal structure of Keap1 BTB domain in complex with dimethyl fumarate (DMF)
分子名称: Dimethyl fumarate, Kelch-like ECH-associated protein 1
著者Qu, L.Z.
登録日2022-03-03
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.209 Å)
主引用文献Characterization of the modification of Kelch-like ECH-associated protein 1 by different fumarates.
Biochem.Biophys.Res.Commun., 605, 2022
8J54
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BU of 8j54 by Molmil
Crystal structure of RXR/DR2 complex
分子名称: DNA (5'-D(*CP*AP*TP*GP*AP*CP*CP*TP*AP*CP*TP*GP*AP*CP*CP*TP*AP*G)-3'), DNA (5'-D(*CP*TP*AP*GP*GP*TP*CP*AP*GP*TP*AP*GP*GP*TP*CP*AP*TP*G)-3'), Retinoic acid receptor RXR, ...
著者Chen, Y, Jiang, L.
登録日2023-04-21
公開日2024-01-17
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Structural characterization of the DNA binding mechanism of retinoic acid-related orphan receptor gamma.
Structure, 32, 2024
7VNI
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BU of 7vni by Molmil
AHR-ARNT PAS-B heterodimer
分子名称: Ahr homolog spineless, Aryl hydrocarbon receptor nuclear translocator, SULFATE ION
著者Dai, S.Y.
登録日2021-10-11
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Structural insight into the ligand binding mechanism of aryl hydrocarbon receptor.
Nat Commun, 13, 2022
7VNA
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BU of 7vna by Molmil
drosophlia AHR PAS-B domain
分子名称: Ahr homolog spineless
著者Dai, S.Y.
登録日2021-10-10
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.597 Å)
主引用文献Structural insight into the ligand binding mechanism of aryl hydrocarbon receptor.
Nat Commun, 13, 2022
7VNH
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BU of 7vnh by Molmil
drosophlia AHR PAS-B domain bound by the antagonist alpha-naphthoflavone
分子名称: 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE, Ahr homolog spineless
著者Dai, S.Y.
登録日2021-10-11
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献Structural insight into the ligand binding mechanism of aryl hydrocarbon receptor.
Nat Commun, 13, 2022
7WF5
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BU of 7wf5 by Molmil
c-Src in complex with ponatinib
分子名称: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Proto-oncogene tyrosine-protein kinase Src
著者Guo, M, Duan, Y, Dai, S, Chen, X, Chen, Y.
登録日2021-12-26
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Structural study of ponatinib in inhibiting SRC kinase.
Biochem.Biophys.Res.Commun., 598, 2022
7VUE
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BU of 7vue by Molmil
Structural insight of the molecular mechanism of cilofexor bound to FXR
分子名称: 2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid, Bile acid receptor, Peptide from Nuclear receptor coactivator 2
著者Jiang, L, Chen, Y.C.
登録日2021-11-02
公開日2022-03-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Structural insight into the molecular mechanism of cilofexor binding to the farnesoid X receptor.
Biochem.Biophys.Res.Commun., 595, 2022
7WCL
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BU of 7wcl by Molmil
Crystal structure of FGFR1 kinase domain with Pemigatinib
分子名称: 11-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3,7-tetraen-12-one, Fibroblast growth factor receptor 1, SULFATE ION
著者Chen, X.J, Lin, Q.M, Jiang, L.Y, Qu, L.Z, Chen, Y.H.
登録日2021-12-20
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.495 Å)
主引用文献Characterization of the cholangiocarcinoma drug pemigatinib against FGFR gatekeeper mutants.
Commun Chem, 5, 2022
7XVN
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BU of 7xvn by Molmil
Structural basis for DNA recognition feature of retinoid-related orphan receptors
分子名称: DNA (5'-D(P*CP*AP*TP*GP*AP*CP*CP*TP*AP*CP*TP*GP*AP*CP*CP*TP*AP*G)-3'), DNA (5'-D(P*CP*TP*AP*GP*GP*TP*CP*AP*GP*TP*AP*GP*GP*TP*CP*AP*TP*G)-3'), Nuclear receptor ROR-gamma, ...
著者Chen, Y, Jiang, L.
登録日2022-05-24
公開日2023-11-29
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Structural characterization of the DNA binding mechanism of retinoic acid-related orphan receptor gamma.
Structure, 32, 2024
7Y9V
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BU of 7y9v by Molmil
Structure of the auxin exporter PIN1 in Arabidopsis thaliana in the IAA-bound state
分子名称: 1H-INDOL-3-YLACETIC ACID, Auxin efflux carrier component 1, nanobody
著者Sun, L, Liu, X, Yang, Z, Xia, J.
登録日2022-06-26
公開日2022-09-07
最終更新日2022-09-28
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural insights into auxin recognition and efflux by Arabidopsis PIN1.
Nature, 609, 2022
7Y9U
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BU of 7y9u by Molmil
Structure of the auxin exporter PIN1 in Arabidopsis thaliana in the NPA-bound state
分子名称: 2-(naphthalen-1-ylcarbamoyl)benzoic acid, Auxin efflux carrier component 1, nanobody
著者Sun, L, Liu, X, Yang, Z, Xia, J.
登録日2022-06-26
公開日2022-09-07
最終更新日2022-09-28
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into auxin recognition and efflux by Arabidopsis PIN1.
Nature, 609, 2022
7Y9T
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BU of 7y9t by Molmil
Structure of the auxin exporter PIN1 in Arabidopsis thaliana in the apo state
分子名称: Auxin efflux carrier component 1, nanobody
著者Sun, L, Liu, X, Yang, Z, Xia, J.
登録日2022-06-26
公開日2022-09-07
最終更新日2022-09-28
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into auxin recognition and efflux by Arabidopsis PIN1.
Nature, 609, 2022
7F3M
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BU of 7f3m by Molmil
Crystal structure of FGFR4 kinase domain with PRN1371
分子名称: 6-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one, Fibroblast growth factor receptor 4, SULFATE ION
著者Chen, X.J, Qu, L.Z, Dai, S.Y, Wei, H.D, Chen, Y.H.
登録日2021-06-16
公開日2022-01-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.289 Å)
主引用文献Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
7X4E
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BU of 7x4e by Molmil
Structure of 10635-DndE
分子名称: DNA sulfur modification protein DndE, GLYCEROL
著者Haiyan, G, Wei, H, Chen, S, Wang, L, Wu, G.
登録日2022-03-02
公開日2022-04-20
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural and Functional Analysis of DndE Involved in DNA Phosphorothioation in the Haloalkaliphilic Archaea Natronorubrum bangense JCM10635.
Mbio, 13, 2022
7D57
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BU of 7d57 by Molmil
C-Src in complex with FIIN-2
分子名称: N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION
著者Chen, Y.H, Qu, L.Z.
登録日2020-09-25
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
7D5O
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BU of 7d5o by Molmil
C-Src in complex with TAS-120
分子名称: 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one, Proto-oncogene tyrosine-protein kinase Src
著者Qu, L.Z, Chen, Y.H.
登録日2020-09-27
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
5LAW
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BU of 5law by Molmil
Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 14
分子名称: 2-[(3~{S},3'~{a}~{S},6'~{S},6'~{a}~{S})-6-chloranyl-6'-(3-chlorophenyl)-4'-(cyclopropylmethyl)-2-oxidanylidene-spiro[1~{H}-indole-3,5'-3,3~{a},6,6~{a}-tetrahydro-2~{H}-pyrrolo[3,2-b]pyrrole]-1'-yl]ethanoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Kessler, D, Gollner, A.
登録日2016-06-15
公開日2016-11-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction.
J. Med. Chem., 59, 2016
5LAZ
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BU of 5laz by Molmil
Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND BI-0252
分子名称: 4-[(2~{R},3~{a}~{S},5~{S},6~{S},6~{a}~{S})-6'-chloranyl-6-(3-chloranyl-2-fluoranyl-phenyl)-4-(cyclopropylmethyl)-2'-oxidanylidene-spiro[1,2,3,3~{a},6,6~{a}-hexahydropyrrolo[3,2-b]pyrrole-5,3'-1~{H}-indole]-2-yl]benzoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION, ...
著者Kessler, D, Gollner, A.
登録日2016-06-15
公開日2016-11-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction.
J. Med. Chem., 59, 2016
5LAV
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BU of 5lav by Molmil
Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) in complex with compound 6b
分子名称: (3~{S},3'~{S},4'~{S})-4'-azanyl-6-chloranyl-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Kessler, D, Gollner, A.
登録日2016-06-15
公開日2016-11-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction.
J. Med. Chem., 59, 2016
5LAY
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BU of 5lay by Molmil
Discovery of New Natural-product-inspired Spiro-oxindole Compounds as Orally Active Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 6g
分子名称: (3~{S},3'~{S},4'~{S},5'~{S})-4'-azanyl-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-[(3-ethoxyphenyl)methyl]-5'-methyl-spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ...
著者Kessler, D, Gollner, A.
登録日2016-06-15
公開日2016-11-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction.
J. Med. Chem., 59, 2016
8B9O
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BU of 8b9o by Molmil
Structure of the C-terminal domain of ClpC2 from Mycobacterium smegmatis
分子名称: Clp amino terminal domain protein, phospho-arginine
著者Meinhart, A, Hoi, D.M, Clausen, T.
登録日2022-10-06
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Clp-targeting BacPROTACs impair mycobacterial proteostasis and survival.
Cell, 186, 2023
8B9U
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Structure of ClpC1 NTD from Mycobacterium tuberculosis
分子名称: (MLE)V(MAA)(E9M)G, ATP-dependent Clp protease ATP-binding subunit ClpC1, FORMIC ACID
著者Meinhart, A, Hoi, D.M, Clausen, T.
登録日2022-10-10
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Clp-targeting BacPROTACs impair mycobacterial proteostasis and survival.
Cell, 186, 2023

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