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7MJ8
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BU of 7mj8 by Molmil
HLA-A*02:01 bound to Neuroblastoma Derived IGFBPL1 peptide
Descriptor: Beta-2-microglobulin, GLYCEROL, Insulin-like growth factor-binding protein-like 1 peptide, ...
Authors:Toor, J.S, Tripathi, S.M, Truong, H.V, Yarmarkovich, M, Maris, J.M, Sgourakis, N.G.
Deposit date:2021-04-19
Release date:2021-08-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Cross-HLA targeting of intracellular oncoproteins with peptide-centric CARs.
Nature, 599, 2021
7LZ7
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BU of 7lz7 by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5k
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2021-03-09
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
7LZ8
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BU of 7lz8 by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5t
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2021-03-09
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
5F8S
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BU of 5f8s by Molmil
Crystal structure of a Crenomytilus grayanus lectin
Descriptor: GLYCEROL, GalNAc/Gal-specific lectin
Authors:Liao, J.-H, Huang, K.-F, Tu, I.-F, Lee, I.-M, Wu, S.-H.
Deposit date:2015-12-09
Release date:2016-04-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:A Multivalent Marine Lectin from Crenomytilus grayanus Possesses Anti-cancer Activity through Recognizing Globotriose Gb3
J.Am.Chem.Soc., 138, 2016
5FAD
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BU of 5fad by Molmil
SAH complex with aKMT from the hyperthermophilic archaeon Sulfolobus islandicus
Descriptor: MAGNESIUM ION, Ribosomal protein L11 methyltransferase, putative, ...
Authors:Ouyang, S.
Deposit date:2015-12-11
Release date:2016-06-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:aKMT Catalyzes Extensive Protein Lysine Methylation in the Hyperthermophilic Archaeon Sulfolobus islandicus but is Dispensable for the Growth of the Organism
Mol.Cell Proteomics, 15, 2016
5UF7
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BU of 5uf7 by Molmil
CRYSTAL STRUCTURE OF MUNC13-1 MUN DOMAIN
Descriptor: Protein unc-13 homolog A
Authors:Tomchick, D.R, Rizo, J, Xu, J.
Deposit date:2017-01-03
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.896 Å)
Cite:Mechanistic insights into neurotransmitter release and presynaptic plasticity from the crystal structure of Munc13-1 C1C2BMUN.
Elife, 6, 2017
5UE8
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BU of 5ue8 by Molmil
The crystal structure of Munc13-1 C1C2BMUN domain
Descriptor: CHLORIDE ION, Protein unc-13 homolog A, ZINC ION
Authors:Tomchick, D.R, Rizo, J, Xu, J.
Deposit date:2016-12-29
Release date:2017-02-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Mechanistic insights into neurotransmitter release and presynaptic plasticity from the crystal structure of Munc13-1 C1C2BMUN.
Elife, 6, 2017
6JEH
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BU of 6jeh by Molmil
Crystal structure of calcium free human gelsolin amyloid mutant D187Y
Descriptor: Gelsolin
Authors:Zorgati, H, Robinson, R.C.
Deposit date:2019-02-05
Release date:2019-06-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:The role of gelsolin domain 3 in familial amyloidosis (Finnish type).
Proc.Natl.Acad.Sci.USA, 116, 2019
7NAM
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BU of 7nam by Molmil
LRP6_E1 in complex with Lr-EET-3.5
Descriptor: Low-density lipoprotein receptor-related protein 6, SODIUM ION, Trypsin inhibitor 2, ...
Authors:Hansen, S, Hannoush, R.N.
Deposit date:2021-06-21
Release date:2022-06-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Directed evolution identifies high-affinity cystine-knot peptide agonists and antagonists of Wnt/ beta-catenin signaling.
Proc.Natl.Acad.Sci.USA, 119, 2022
5HI4
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BU of 5hi4 by Molmil
Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists
Descriptor: (9'S,17'R)-6'-chloro-N-methyl-9'-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-10',19'-dioxo-2'-oxa-11',18'-diazaspiro[cyclopentane-1,21'-tetracyclo[20.2.2.2~12,15~.1~3,7~]nonacosane]-1'(24'),3'(29'),4',6',12',14',22',25',27'-nonaene-17'-carboxamide, CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, ...
Authors:Liu, S.
Deposit date:2016-01-11
Release date:2016-08-31
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6, 2016
8X2Z
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BU of 8x2z by Molmil
The class2 of piccolo NuA4 bound to the H2A.Z nucleosome complex at harboring state
Descriptor: Chromatin modification-related protein, DNA (146-MER), Histone H2A, ...
Authors:Wang, L, Zhang, H, Zhu, H, Zhu, P.
Deposit date:2023-11-10
Release date:2025-03-19
Last modified:2025-04-02
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM structures reveal the acetylation process of piccolo NuA4.
Proc.Natl.Acad.Sci.USA, 122, 2025
8X32
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BU of 8x32 by Molmil
The piccolo NuA4 bound to the H2A.Z nucleosome-H4KQ Complex with Ac-CoA at resetting state
Descriptor: Chromatin modification-related protein, DNA (146-MER), Histone H2A, ...
Authors:Wang, L, Zhang, H, Zhu, H, Zhu, P.
Deposit date:2023-11-10
Release date:2025-03-19
Last modified:2025-04-02
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Cryo-EM structures reveal the acetylation process of piccolo NuA4.
Proc.Natl.Acad.Sci.USA, 122, 2025
8X30
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BU of 8x30 by Molmil
Structure of piccolo NuA4 and H2A.Z nucleosome 2:1 complex
Descriptor: Chromatin modification-related protein, DNA (146-MER), Histone H2A, ...
Authors:Wang, L, Zhang, H, Zhu, H, Zhu, P.
Deposit date:2023-11-10
Release date:2025-03-19
Last modified:2025-04-02
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cryo-EM structures reveal the acetylation process of piccolo NuA4.
Proc.Natl.Acad.Sci.USA, 122, 2025
8X2Y
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BU of 8x2y by Molmil
The class1 of piccolo NuA4 bound to the H2A.Z nucleosome complex at harboring state
Descriptor: Chromatin modification-related protein, DNA (146-MER), Histone H2A, ...
Authors:Wang, L, Zhang, H, Zhu, H, Zhu, P.
Deposit date:2023-11-10
Release date:2025-03-19
Last modified:2025-04-02
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Cryo-EM structures reveal the acetylation process of piccolo NuA4.
Proc.Natl.Acad.Sci.USA, 122, 2025
8X2X
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BU of 8x2x by Molmil
The piccolo NuA4 bound to the H2A.Z nucleosome complex at pre-H4-acetylation state
Descriptor: Chromatin modification-related protein, DNA (146-MER), Histone H2A, ...
Authors:Wang, L, Zhang, H, Zhu, H, Zhu, P.
Deposit date:2023-11-10
Release date:2025-03-19
Last modified:2025-04-02
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structures reveal the acetylation process of piccolo NuA4.
Proc.Natl.Acad.Sci.USA, 122, 2025
8X31
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BU of 8x31 by Molmil
The piccolo NuA4 bound to the H2A.Z nucleosome complex with Ac-CoA at resetting state
Descriptor: Chromatin modification-related protein, DNA (146-MER), Histone H2A, ...
Authors:Wang, L, Zhang, H, Zhu, H, Zhu, P.
Deposit date:2023-11-10
Release date:2025-03-19
Last modified:2025-04-02
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Cryo-EM structures reveal the acetylation process of piccolo NuA4.
Proc.Natl.Acad.Sci.USA, 122, 2025
4LPI
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BU of 4lpi by Molmil
A sperm whale myoglobin double mutant L29H/F43Y Mb with a distal hydrogen-bonding network
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lin, Y.
Deposit date:2013-07-16
Release date:2014-07-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:How a novel tyrosine-heme cross-link fine-tunes the structure and functions of heme proteins: a direct comparitive study of L29H/F43Y myoglobin
Dalton Trans, 44, 2015
4NNH
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BU of 4nnh by Molmil
Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide
Descriptor: 30S ribosomal protein S1
Authors:Yang, J, Liu, Y, Cai, Q, Lin, D.
Deposit date:2013-11-18
Release date:2014-12-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide.
Mol.Microbiol., 95, 2015
4NMX
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BU of 4nmx by Molmil
PCSK9(deltaCRD) in complex with phage-derived inhibitory peptide 2-8
Descriptor: Proprotein convertase subtilisin/kexin type 9, peptide 2-8
Authors:Eigenbrot, C, Shia, S.
Deposit date:2013-11-15
Release date:2013-12-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of a Small Peptide That Inhibits PCSK9 Protein Binding to the Low Density Lipoprotein Receptor.
J.Biol.Chem., 289, 2014
4NNI
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BU of 4nni by Molmil
Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide
Descriptor: 30S ribosomal protein S1, PYRAZINE-2-CARBOXYLIC ACID
Authors:Yang, J, Liu, Y, Cai, Q, Lin, D.
Deposit date:2013-11-18
Release date:2014-12-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide.
Mol.Microbiol., 95, 2015
4NNG
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BU of 4nng by Molmil
Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide
Descriptor: 30S ribosomal protein S1
Authors:Yang, J, Liu, Y, Cai, Q, Lin, D.
Deposit date:2013-11-18
Release date:2014-12-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide.
Mol.Microbiol., 95, 2015
4NNK
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BU of 4nnk by Molmil
Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide
Descriptor: 30S ribosomal protein S1
Authors:Yang, J, Liu, Y, Cai, Q, Lin, D.
Deposit date:2013-11-18
Release date:2014-12-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide.
Mol.Microbiol., 95, 2015
7XB4
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BU of 7xb4 by Molmil
Crystal structure of SARS-Cov-2 main protease D48N mutant in complex with PF07321332
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, Replicase polyprotein 1a
Authors:Hu, X.H, Li, J, Zhang, J.
Deposit date:2022-03-20
Release date:2023-03-22
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural Basis for the Inhibition of SARS-CoV-2 M pro D48N Mutant by Shikonin and PF-07321332.
Viruses, 16, 2023
5VL7
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BU of 5vl7 by Molmil
PCSK9 complex with Fab33
Descriptor: Fab33 heavy chain, Fab33 light chain, Proprotein convertase subtilisin/kexin type 9
Authors:Eigenbrot, C, Shia, S.
Deposit date:2017-04-25
Release date:2017-08-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
7V67
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BU of 7v67 by Molmil
Crystal Structure of Enolase1 from Candida albicans
Descriptor: Enolase 1, SULFATE ION
Authors:Zhang, M, Zhang, X.
Deposit date:2021-08-19
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Baicalein Acts against Candida albicans by Targeting Eno1 and Inhibiting Glycolysis.
Microbiol Spectr, 10, 2022

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數據於2025-07-23公開中

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