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8D7X
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BU of 8d7x by Molmil
Cereblon~DDB1 in the Apo form with DDB1 in the hinged conformation
Descriptor: DNA damage-binding protein 1, Protein cereblon, ZINC ION
Authors:Watson, E.R, Lander, G.C.
Deposit date:2022-06-07
Release date:2022-07-20
Last modified:2022-11-30
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular glue CELMoD compounds are regulators of cereblon conformation.
Science, 378, 2022
8SAI
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BU of 8sai by Molmil
Cryo-EM structure of GPR34-Gi complex
Descriptor: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Yong, X.H, Zhao, C, Yan, W, Shao, Z.H.
Deposit date:2023-04-01
Release date:2023-10-04
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
5FFO
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BU of 5ffo by Molmil
Integrin alpha V beta 6 in complex with pro-TGF-beta
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Dong, X, Zhao, B, Springer, T.A.
Deposit date:2015-12-18
Release date:2017-01-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Force interacts with macromolecular structure in activation of TGF-beta.
Nature, 542, 2017
5FFG
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BU of 5ffg by Molmil
Crystal structure of integrin alpha V beta 6 head
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dong, X, Springer, T.A.
Deposit date:2015-12-18
Release date:2017-01-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Force interacts with macromolecular structure in activation of TGF-beta.
Nature, 542, 2017
5BPP
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BU of 5bpp by Molmil
Structure of human Leukotriene A4 hydrolase in complex with inhibitor 4AZ
Descriptor: 2-(4-butoxyphenyl)-N-hydroxyacetamide, ACETATE ION, Leukotriene A-4 hydrolase, ...
Authors:Huang, J, Dong, N.N, Xiao, Q, Ou, P.Y, Wu, D, Lu, W.Q.
Deposit date:2015-05-28
Release date:2016-08-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Bufexamac ameliorates LPS-induced acute lung injury in mice by targeting LTA4H
Sci Rep, 6, 2016
5H3R
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BU of 5h3r by Molmil
Crystal Structure of mutant MarR C80S from E.coli complexed with operator DNA
Descriptor: DNA (5'-D(*CP*AP*TP*AP*CP*TP*TP*GP*CP*CP*TP*GP*GP*GP*CP*AP*AP*TP*AP*TP*T)-3'), DNA (5'-D(*GP*AP*AP*TP*AP*TP*TP*GP*CP*CP*CP*AP*GP*GP*CP*AP*AP*GP*TP*AP*T)-3'), Multiple antibiotic resistance protein MarR
Authors:Zhu, R, Lou, H, Hao, Z.
Deposit date:2016-10-26
Release date:2017-08-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural characterization of the DNA-binding mechanism underlying the copper(II)-sensing MarR transcriptional regulator.
J. Biol. Inorg. Chem., 22, 2017
3HIZ
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BU of 3hiz by Molmil
Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Amzel, L.M, Vogelstein, B, Gabelli, S.B, Mandelker, D.
Deposit date:2009-05-20
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A frequent kinase domain mutation that changes the interaction between PI3K{alpha} and the membrane.
Proc.Natl.Acad.Sci.USA, 106, 2009
3HHM
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BU of 3hhm by Molmil
Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha and the drug wortmannin
Descriptor: (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4, 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ...
Authors:Amzel, L.M, Vogelstein, B, Gabelli, S.B, Mandelker, D.
Deposit date:2009-05-15
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A frequent kinase domain mutation that changes the interaction between PI3K{alpha} and the membrane.
Proc.Natl.Acad.Sci.USA, 106, 2009
3IEJ
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BU of 3iej by Molmil
Pyrazole-based Cathepsin S Inhibitors with Arylalkynes as P1 Binding Elements
Descriptor: 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol, Cathepsin S
Authors:Bembenek, S.
Deposit date:2009-07-22
Release date:2009-10-06
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Pyrazole-based cathepsin S inhibitors with arylalkynes as P1 binding elements.
Bioorg.Med.Chem.Lett., 19, 2009
6TO9
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BU of 6to9 by Molmil
Crystal structure of the oligomerisation domain of the transcription factor PHOSPHATE STARVATION RESPONSE 1 from Arabidopsis (crystal form 2)
Descriptor: MAGNESIUM ION, Protein PHOSPHATE STARVATION RESPONSE 1
Authors:Hothorn, M.
Deposit date:2019-12-11
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Inositol pyrophosphates promote the interaction of SPX domains with the coiled-coil motif of PHR transcription factors to regulate plant phosphate homeostasis.
Nat Commun, 12, 2021
4JBA
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BU of 4jba by Molmil
Crystal Structure of the Oxidized Form of MarR from E.coli
Descriptor: Multiple antibiotic resistance protein MarR
Authors:Lou, H, Zhu, R, Hao, Z.
Deposit date:2013-02-19
Release date:2013-10-16
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The multiple antibiotic resistance regulator MarR is a copper sensor in Escherichia coli.
Nat.Chem.Biol., 10, 2014
6TO5
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BU of 6to5 by Molmil
Crystal structure of the oligomerisation domain of the transcription factor PHOSPHATE STARVATION RESPONSE 1 from Arabidopsis.
Descriptor: MAGNESIUM ION, Protein PHOSPHATE STARVATION RESPONSE 1
Authors:Hothorn, M.
Deposit date:2019-12-11
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Inositol pyrophosphates promote the interaction of SPX domains with the coiled-coil motif of PHR transcription factors to regulate plant phosphate homeostasis.
Nat Commun, 12, 2021
6TOC
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BU of 6toc by Molmil
Crystal structure of the oligomerisation domain of the transcription factor PHOSPHATE STARVATION RESPONSE 1 from Arabidopsis (crystal form 3).
Descriptor: Protein PHOSPHATE STARVATION RESPONSE 1
Authors:Hothorn, M.
Deposit date:2019-12-11
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.853 Å)
Cite:Inositol pyrophosphates promote the interaction of SPX domains with the coiled-coil motif of PHR transcription factors to regulate plant phosphate homeostasis.
Nat Commun, 12, 2021
3DBE
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BU of 3dbe by Molmil
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 557
Descriptor: 3'-chloro-5'-[6-({2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)-3-methyl-1H-pyrazolo[4,3-c]pyridin-1-yl]biphenyl-2-carboxamide, Polo-like kinase 1
Authors:Elling, R.A, Barr, K.J, Romanowski, M.J.
Deposit date:2008-05-31
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3DBD
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BU of 3dbd by Molmil
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 094
Descriptor: 3'-chloro-5'-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)biphenyl-2-carboxamide, Polo-like kinase 1
Authors:Elling, R.A, Barr, K.J, Romanowski, M.J.
Deposit date:2008-05-31
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3ML9
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BU of 3ml9 by Molmil
Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
Descriptor: 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R.
Deposit date:2010-04-16
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
3ML8
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BU of 3ml8 by Molmil
Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
Descriptor: 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R.
Deposit date:2010-04-16
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
5CD3
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BU of 5cd3 by Molmil
Structure of immature VRC01-class antibody DRVIA7
Descriptor: DRVIA7 Heavy Chain, DRVIA7 Light Chain
Authors:Kong, L, Wilson, I.A.
Deposit date:2015-07-02
Release date:2016-04-06
Last modified:2018-09-05
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Key gp120 Glycans Pose Roadblocks to the Rapid Development of VRC01-Class Antibodies in an HIV-1-Infected Chinese Donor.
Immunity, 44, 2016
6XK9
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BU of 6xk9 by Molmil
Cereblon in complex with DDB1, CC-90009, and GSPT1
Descriptor: 2-(4-chlorophenyl)-N-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}methyl)-2,2-difluoroacetamide, DNA damage-binding protein 1, Eukaryotic peptide chain release factor GTP-binding subunit ERF3A, ...
Authors:Clayton, T.L, Tran, E.T, Zhu, J, Pagarigan, B.E, Matyskiela, M.E, Chamberlain, P.P.
Deposit date:2020-06-25
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.64 Å)
Cite:CC-90009, a novel cereblon E3 ligase modulator, targets acute myeloid leukemia blasts and leukemia stem cells.
Blood, 137, 2021
3VOD
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BU of 3vod by Molmil
Crystal Structure of mutant MarR C80S from E.coli
Descriptor: Multiple antibiotic resistance protein marR
Authors:Lou, H, Zhu, R, Hao, Z.
Deposit date:2012-01-21
Release date:2013-03-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The multiple antibiotic resistance regulator MarR is a copper sensor in Escherichia coli.
Nat.Chem.Biol., 10, 2014
8HK2
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BU of 8hk2 by Molmil
C3aR-Gi-C3a protein complex
Descriptor: C3a anaphylatoxin, C3a anaphylatoxin chemotactic receptor, CHOLESTEROL, ...
Authors:Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E.
Deposit date:2022-11-24
Release date:2023-05-10
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
8HK3
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BU of 8hk3 by Molmil
C3aR-Gi-apo protein complex
Descriptor: C3a anaphylatoxin chemotactic receptor, 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:Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E.
Deposit date:2022-11-24
Release date:2023-05-10
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
8HK5
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BU of 8hk5 by Molmil
C5aR1-Gi-C5a protein complex
Descriptor: C5a anaphylatoxin chemotactic receptor 1, Complement C5, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E.
Deposit date:2022-11-24
Release date:2023-05-10
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
3NGB
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BU of 3ngb by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC01 in complex with HIV-1 gp120
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhou, T, Kwong, P.D.
Deposit date:2010-06-11
Release date:2010-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structural basis for broad and potent neutralization of HIV-1 by antibody VRC01.
Science, 329, 2010
5TWN
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BU of 5twn by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA- DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
Descriptor: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide, NS5B RNA- DEPENDENT RNA POLYMERASE, ...
Authors:Sheriff, S.
Deposit date:2016-11-14
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:The discovery of a pan-genotypic, primer grip inhibitor of HCV NS5B polymerase.
Medchemcomm, 8, 2017

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數據於2024-05-08公開中

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