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5YYF
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BU of 5yyf by Molmil
Crystal structure of AF9 YEATS domain in complex with a peptide inhibitor "PHQ-H3(Q5-K9)" modified at K9 with 2-furancarboyl group
Descriptor: 2-FUROIC ACID, Peptide inhibitor PHQ-H3(Q5-K9), Protein AF-9, ...
Authors:Li, Y, Li, H.
Deposit date:2017-12-09
Release date:2018-11-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:Structure-guided development of YEATS domain inhibitors by targeting pi-pi-pi stacking.
Nat. Chem. Biol., 14, 2018
6IPY
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BU of 6ipy by Molmil
His-tagged Fyn SH3 domain R96I mutant
Descriptor: Tyrosine-protein kinase Fyn
Authors:Arold, S.T, Aljedani, S.S, Shahul Hameed, U.F.
Deposit date:2018-11-05
Release date:2018-11-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.343 Å)
Cite:Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021
6IPZ
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BU of 6ipz by Molmil
Fyn SH3 domain R96W mutant, crystallized with 18-crown-6
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Tyrosine-protein kinase Fyn
Authors:Arold, S.T, Aljedani, S.S, Shahul Hameed, U.F.
Deposit date:2018-11-05
Release date:2018-11-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.576 Å)
Cite:Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021
7MJU
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BU of 7mju by Molmil
Crystal structure of human AF10 PZP bound to histone H3 tail
Descriptor: Histone H3.1,Protein AF-10, ZINC ION
Authors:Klein, B.J, Kutateladze, T.G.
Deposit date:2021-04-20
Release date:2021-08-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The role of the PZP domain of AF10 in acute leukemia driven by AF10 translocations.
Nat Commun, 12, 2021
6KN1
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BU of 6kn1 by Molmil
P20/P12 of caspase-11 mutant C254A
Descriptor: Caspase-4
Authors:Ding, J, Sun, Q.
Deposit date:2019-08-02
Release date:2020-03-11
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis.
Cell, 180, 2020
6KN0
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BU of 6kn0 by Molmil
caspase-1 P20/P10 C285A in complex with human GSDMD-C domain
Descriptor: Caspase-1, Gasdermin-D
Authors:Ding, J, Sun, Q.
Deposit date:2019-08-02
Release date:2020-03-11
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (2.793 Å)
Cite:Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis.
Cell, 180, 2020
6KMZ
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BU of 6kmz by Molmil
caspase-4 P22/P10 C258A in complex with human GSDMD-C domain
Descriptor: Caspase-4, Gasdermin-D
Authors:Ding, J, Sun, Q.
Deposit date:2019-08-01
Release date:2020-03-11
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (3.61 Å)
Cite:Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis.
Cell, 180, 2020
6KMU
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BU of 6kmu by Molmil
P22/P10 complex of caspase-11 mutant C254A
Descriptor: Caspase-4
Authors:Ding, J, Sun, Q.
Deposit date:2019-08-01
Release date:2020-03-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis.
Cell, 180, 2020
6KMT
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BU of 6kmt by Molmil
P32 of caspase-11 mutant C254A
Descriptor: Caspase-4
Authors:Ding, J, Sun, Q.
Deposit date:2019-08-01
Release date:2020-03-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis.
Cell, 180, 2020
6KMV
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BU of 6kmv by Molmil
caspase-11 C254A P22/P10 in complex with mouse GSDMD-C domain
Descriptor: Caspase-4, Gasdermin-D
Authors:Ding, J, Sun, Q.
Deposit date:2019-08-01
Release date:2020-03-11
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis.
Cell, 180, 2020
8X8O
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BU of 8x8o by Molmil
Cryo-EM structure of a bacteriophage tail- spike protein against Klebsiella pneumoniae K64,ORF41(K64-ORF41) in 5 mM EDTA
Descriptor: Probable tail spike protein
Authors:Xie, Y, Huang, T, Zhang, Z, Tao, X.
Deposit date:2023-11-27
Release date:2024-09-04
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural and functional basis of bacteriophage K64-ORF41 depolymerase for capsular polysaccharide degradation of Klebsiella pneumoniae K64.
Int.J.Biol.Macromol., 265, 2024
8X8M
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BU of 8x8m by Molmil
Cryo-EM structure of a bacteriophage tail- spike protein against Klebsiella pneumoniae K64,ORF41(K64-ORF41)
Descriptor: Probable tail spike protein
Authors:Xie, Y, Huang, T, Zhang, Z, Tao, X.
Deposit date:2023-11-27
Release date:2024-09-04
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.37 Å)
Cite:Structural and functional basis of bacteriophage K64-ORF41 depolymerase for capsular polysaccharide degradation of Klebsiella pneumoniae K64.
Int.J.Biol.Macromol., 265, 2024
7BWJ
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BU of 7bwj by Molmil
crystal structure of SARS-CoV-2 antibody with RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ...
Authors:Wang, X, Ge, J.
Deposit date:2020-04-14
Release date:2020-06-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Human neutralizing antibodies elicited by SARS-CoV-2 infection.
Nature, 584, 2020
7CHO
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BU of 7cho by Molmil
Crystal structure of SARS-CoV-2 antibody P5A-1D2 with RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-1D2 heavy chain, ...
Authors:Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
Deposit date:2020-07-06
Release date:2021-05-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.561 Å)
Cite:Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
7CHS
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BU of 7chs by Molmil
Crystal structure of SARS-CoV-2 antibody P22A-1D1 with RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P22A-1D1 heavy chain, ...
Authors:Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
Deposit date:2020-07-06
Release date:2021-05-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
7CHP
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BU of 7chp by Molmil
Crystal structure of SARS-CoV-2 antibody P5A-3C8 with RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-3C8 heavy chain, ...
Authors:Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
Deposit date:2020-07-06
Release date:2021-05-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.357 Å)
Cite:Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
8VLF
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BU of 8vlf by Molmil
Crystal structure of Ash1L PHD finger in complex with histone H3K4me3
Descriptor: Histone H3.3C, Histone-lysine N-methyltransferase ASH1L, ZINC ION
Authors:Vann, K.R, Kutateladze, T.G.
Deposit date:2024-01-11
Release date:2025-03-19
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Structure-function relationship of ASH1L and histone H3K36 and H3K4 methylation.
Nat Commun, 16, 2025
8VLD
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BU of 8vld by Molmil
Crystal structure of Ash1L PHD finger in complex with histone H3K4me2
Descriptor: Histone H3.3C, Histone-lysine N-methyltransferase ASH1L, ZINC ION
Authors:Vann, K.R, Kutateladze, T.G.
Deposit date:2024-01-11
Release date:2025-03-19
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure-function relationship of ASH1L and histone H3K36 and H3K4 methylation.
Nat Commun, 16, 2025
8VLH
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BU of 8vlh by Molmil
Crystal structure of Ash1L PHD-BAH domains
Descriptor: Histone-lysine N-methyltransferase ASH1L, STRONTIUM ION, ZINC ION
Authors:Vann, K.R, Tencer, A.H, Kutateladze, T.G.
Deposit date:2024-01-11
Release date:2025-03-19
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Structure-function relationship of ASH1L and histone H3K36 and H3K4 methylation.
Nat Commun, 16, 2025
8VWX
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BU of 8vwx by Molmil
Human Bcl-2 (G101V Mutant)/Bcl-xL Chimera Fused to Maltose-Binding Protein
Descriptor: Maltose/maltodextrin-binding periplasmic protein fused to apoptosis regulator Bcl-2/Bcl-xL chimera
Authors:Baird, J, Holliday, M.
Deposit date:2024-02-02
Release date:2024-10-02
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Hydrogen/Deuterium Exchange and Protein Oxidative Footprinting with Mass Spectrometry Collectively Discriminate the Binding of Small-Molecule Therapeutics to Bcl-2.
Anal.Chem., 97, 2025
8VXN
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BU of 8vxn by Molmil
Human Bcl-2/Bcl-xL Chimera Fused to Maltose-Binding Protein
Descriptor: Maltose/maltodextrin-binding periplasmic protein fused to apoptosis regulator Bcl-2/Bcl-xL chimera
Authors:Baird, J, Holliday, M.
Deposit date:2024-02-05
Release date:2024-10-02
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Hydrogen/Deuterium Exchange and Protein Oxidative Footprinting with Mass Spectrometry Collectively Discriminate the Binding of Small-Molecule Therapeutics to Bcl-2.
Anal.Chem., 97, 2025
8VXM
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BU of 8vxm by Molmil
Human Bcl-2/Bcl-xL Chimera Fused to MBP in Complex with Inhibitor S55746
Descriptor: DI(HYDROXYETHYL)ETHER, Maltose/maltodextrin-binding periplasmic protein fused to apoptosis regulator Bcl-2/Bcl-xL chimera, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
Authors:Baird, J, Holliday, M.
Deposit date:2024-02-05
Release date:2024-10-02
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Hydrogen/Deuterium Exchange and Protein Oxidative Footprinting with Mass Spectrometry Collectively Discriminate the Binding of Small-Molecule Therapeutics to Bcl-2.
Anal.Chem., 97, 2025
8VWZ
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BU of 8vwz by Molmil
Human Bcl-2 (G101V Mutant)/Bcl-xL Chimera Fused to MBP in Complex with Inhibitor S55746
Descriptor: DI(HYDROXYETHYL)ETHER, Maltose/maltodextrin-binding periplasmic protein fused to apoptosis regulator Bcl-2/Bcl-xL chimera, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
Authors:Baird, J, Holliday, M.
Deposit date:2024-02-02
Release date:2024-10-02
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Hydrogen/Deuterium Exchange and Protein Oxidative Footprinting with Mass Spectrometry Collectively Discriminate the Binding of Small-Molecule Therapeutics to Bcl-2.
Anal.Chem., 97, 2025
7WRP
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BU of 7wrp by Molmil
Crystal Structure of pks13-ACP domain from Corynebacterium diphtheriae
Descriptor: 4'-PHOSPHOPANTETHEINE, Polyketide synthase involved in mycolic acid biosynthesis
Authors:Liu, X.
Deposit date:2022-01-27
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.794 Å)
Cite:Crystal structures of FadD32 and pks13-ACP domain from Corynebacterium diphtheriae.
Biochem.Biophys.Res.Commun., 590, 2022
7V7M
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BU of 7v7m by Molmil
crystal structure of SARS-CoV-2 3CL protease
Descriptor: 3C-like proteinase
Authors:Yi, Y, Zhang, M, Ye, M.
Deposit date:2021-08-21
Release date:2022-06-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Schaftoside inhibits 3CL pro and PL pro of SARS-CoV-2 virus and regulates immune response and inflammation of host cells for the treatment of COVID-19.
Acta Pharm Sin B, 12, 2022

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