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6Z5U
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BU of 6z5u by Molmil
Cryo-EM structure of the A. baumannii MlaBDEF complex bound to APPNHP
Descriptor: ABC transporter ATP-binding protein, ABC transporter permease, Anti-sigma factor antagonist, ...
Authors:Mann, D, Bergeron, J.R.C.
Deposit date:2020-05-27
Release date:2021-05-05
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure and lipid dynamics in the maintenance of lipid asymmetry inner membrane complex of A. baumannii.
Commun Biol, 4, 2021
7DAT
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BU of 7dat by Molmil
The crystal structure of COVID-19 main protease treated by AF
Descriptor: COVID-19 MAIN PROTEASE, GOLD ION
Authors:He, Z.S, He, B, Cao, P, Jiang, H.D, Gong, Y, Gao, X.Y.
Deposit date:2020-10-18
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A comparison of Remdesivir versus gold cluster in COVID-19 animal model: A better therapeutic outcome of gold cluster.
Nano Today, 44, 2022
7DAV
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BU of 7dav by Molmil
The native crystal structure of COVID-19 main protease
Descriptor: COVID-19 MAIN PROTEASE
Authors:He, Z.S, He, B, Cao, P, Jiang, H.D, Gong, Y, Gao, X.Y.
Deposit date:2020-10-18
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:A comparison of Remdesivir versus gold cluster in COVID-19 animal model: A better therapeutic outcome of gold cluster.
Nano Today, 44, 2022
7DAU
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BU of 7dau by Molmil
The crystal structure of COVID-19 main protease treated by GA
Descriptor: COVID-19 MAIN PROTEASE, GOLD ION
Authors:He, Z.S, He, B, Cao, P, Jiang, H.D, Gong, Y, Gao, X.Y.
Deposit date:2020-10-18
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:A comparison of Remdesivir versus gold cluster in COVID-19 animal model: A better therapeutic outcome of gold cluster.
Nano Today, 44, 2022
4X7Q
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BU of 4x7q by Molmil
PIM2 kinase in complex with Compound 1s
Descriptor: 2-(2,6-difluorophenyl)-N-{4-[(3S)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-2
Authors:Marcotte, D.J, Silvian, L.F.
Deposit date:2014-12-09
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure-based design of low-nanomolar PIM kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4NBM
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BU of 4nbm by Molmil
Crystal structure of UVB photoreceptor UVR8 and light-induced structural changes at 180K
Descriptor: MAGNESIUM ION, Ultraviolet-B receptor UVR8
Authors:Yang, X, Zeng, X, Zhao, K.-H, Ren, Z.
Deposit date:2013-10-23
Release date:2016-10-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Dynamic Crystallography Reveals Early Signalling Events in Ultraviolet Photoreceptor UVR8.
Nat Plants, 1, 2015
7JM5
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BU of 7jm5 by Molmil
Crystal structure of KDM4B in complex with QC6352
Descriptor: 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4B, NICKEL (II) ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-07-31
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Targeting KDM4 for treating PAX3-FOXO1-driven alveolar rhabdomyosarcoma.
Sci Transl Med, 14, 2022
1W24
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BU of 1w24 by Molmil
Crystal Structure Of human Vps29
Descriptor: VACUOLAR PROTEIN SORTING PROTEIN 29
Authors:Wang, D, Guo, M, Teng, M, Niu, L.
Deposit date:2004-06-26
Release date:2005-03-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Human Vacuolar Protein Sorting Protein 29 Reveals a Phosphodiesterase/Nuclease-Like Fold and Two Protein-Protein Interaction Sites.
J.Biol.Chem., 280, 2005
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:2024-03-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Enzymatic Degradation of Deoxynivalenol with the Engineered Detoxification Enzyme Fhb7.
Jacs Au, 4, 2024
4WRQ
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BU of 4wrq by Molmil
Crystal Structure of 14-3-3 zeta with Chibby peptide
Descriptor: 14-3-3 protein zeta/delta, Chibby
Authors:Killoran, R.C, Shilton, B.H, Choy, W.Y.
Deposit date:2014-10-24
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.409 Å)
Cite:Structural Analysis of the 14-3-3 zeta /Chibby Interaction Involved in Wnt/ beta-Catenin Signaling.
Plos One, 10, 2015
2K3Q
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BU of 2k3q by Molmil
Solution structure of the n-terminal domain (TUSP1-N) of the egg case silk from Nephila antipodiana
Descriptor: TuSp1
Authors:Lin, Z, Huang, W, Fan, J, Yang, D.
Deposit date:2008-05-15
Release date:2009-06-02
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of eggcase silk protein and its implications for silk fiber formation
Proc.Natl.Acad.Sci.USA, 106, 2009
5VLR
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BU of 5vlr by Molmil
CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A TRIFLUORO-ETHYL-PYRAZOL-PYROLOTRIAZINE INHIBITOR
Descriptor: 4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Sack, J.S.
Deposit date:2017-04-26
Release date:2017-06-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of a Potent, Selective, and Efficacious Phosphatidylinositol 3-Kinase delta (PI3K delta ) Inhibitor for the Treatment of Immunological Disorders.
J. Med. Chem., 60, 2017
2K3P
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BU of 2k3p by Molmil
Solution structure of the C-terminal domain (TUSP1-C) of the egg case silk from Nephila antipodiana
Descriptor: TuSp1
Authors:Lin, Z, Huang, W, Fan, J, Yang, D.
Deposit date:2008-05-15
Release date:2009-06-02
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of eggcase silk protein and its implications for silk fiber formation
Proc.Natl.Acad.Sci.USA, 106, 2009
2K3N
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BU of 2k3n by Molmil
Solution structure of the type 1 repetitive domain (TUSP1-RP1) of the egg case silk from Nephila Antipodiana
Descriptor: TuSp1
Authors:Lin, Z, Huang, W, Fan, J, Yang, D.
Deposit date:2008-05-14
Release date:2009-06-02
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of eggcase silk protein and its implications for silk fiber formation
Proc.Natl.Acad.Sci.USA, 106, 2009
2K3O
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BU of 2k3o by Molmil
Solution structure of the type 2 repetitive domain (TUSP1-RP2) of the egg case silk from Nephila Antipodiana
Descriptor: TuSp1
Authors:Lin, Z, Huang, W, Fan, J, Yang, D.
Deposit date:2008-05-14
Release date:2009-06-02
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of eggcase silk protein and its implications for silk fiber formation
Proc.Natl.Acad.Sci.USA, 106, 2009
7JVM
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BU of 7jvm by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor TNO155
Descriptor: (3S,4S)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2020-08-21
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.166 Å)
Cite:Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
1M5Z
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BU of 1m5z by Molmil
The PDZ7 of Glutamate Receptor Interacting Protein Binds to its Target via a Novel Hydrophobic Surface Area
Descriptor: AMPA receptor interacting protein
Authors:Feng, W, Fan, J, Jiang, M, Shi, Y, Zhang, M.
Deposit date:2002-07-11
Release date:2002-11-06
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The PDZ7 of Glutamate Receptor Interacting Protein Binds to its Target via a Novel Hydrophobic Surface Area
J.Biol.Chem., 277, 2002
8DNT
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BU of 8dnt by Molmil
SARS-CoV-2 specific T cell receptor
Descriptor: Beta-2-microglobulin, MHC class I antigen alpha chain, Nucleoprotein, ...
Authors:Gallagher, D.T, Wu, D, Gowthaman, R, Pierce, B.G, Mariuzza, R.A, Weng, N.P.
Deposit date:2022-07-11
Release date:2023-07-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:SARS-CoV-2 infection establishes a stable and age-independent CD8 + T cell response against a dominant nucleocapsid epitope using restricted T cell receptors.
Nat Commun, 14, 2023
8K6Z
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BU of 8k6z by Molmil
NMR structure of human leptin
Descriptor: Leptin
Authors:Fan, X, Qin, R, Yuan, W, Fan, J, Huang, W, Lin, Z.
Deposit date:2023-07-26
Release date:2024-02-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The solution structure of human leptin reveals a conformational plasticity important for receptor recognition.
Structure, 32, 2024
3DBC
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BU of 3dbc by Molmil
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 257
Descriptor: 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide, Polo-like kinase 1
Authors:Elling, R.A, Zhu, J, 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 (3.35 Å)
Cite:Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3DBF
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BU of 3dbf by Molmil
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 562
Descriptor: 4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-N-(1-methylpipe ridin-4-yl)benzamide, Polo-like kinase
Authors:Elling, R.A, Zhu, J, 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 (3.2 Å)
Cite:Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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
6AKS
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BU of 6aks by Molmil
Cryo-EM structure of CVA10 mature virus
Descriptor: SPHINGOSINE, VP1, VP2, ...
Authors:Zhu, L, Sun, Y, Fan, J.Y, Zhu, B, Cao, L, Gao, Q, Zhang, Y.J, Liu, H.R, Rao, Z.H, Wang, X.X.
Deposit date:2018-09-03
Release date:2019-01-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structures of Coxsackievirus A10 unveil the molecular mechanisms of receptor binding and viral uncoating.
Nat Commun, 9, 2018
6AKT
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BU of 6akt by Molmil
Cryo-EM structure of CVA10 A-particle
Descriptor: VP1, VP2, VP3
Authors:Zhu, L, Sun, Y, Fan, J.Y, Zhu, B, Cao, L, Gao, Q, Zhang, Y.J, Liu, H.R, Rao, Z.H, Wang, X.X.
Deposit date:2018-09-03
Release date:2019-01-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structures of Coxsackievirus A10 unveil the molecular mechanisms of receptor binding and viral uncoating.
Nat Commun, 9, 2018

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數據於2024-08-28公開中

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