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8F30
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BU of 8f30 by Molmil
LSD1-CoREST in complex with AW2, long soaking
Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-{5-[3-([1,1'-biphenyl]-4-yl)propanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
Authors:Caroli, J, Mattevi, A.
Deposit date:2022-11-09
Release date:2024-06-12
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
8F2Z
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BU of 8f2z by Molmil
LSD1-CoREST in complex with AW2, short soaking
Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,13R)-3-([1,1'-biphenyl]-4-yl)-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
Authors:Caroli, J, Mattevi, A.
Deposit date:2022-11-09
Release date:2024-06-12
Method:X-RAY DIFFRACTION (3 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
8F28
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BU of 8f28 by Molmil
Lysozyme Structures from Single-Entity Crystallization Method NanoAC
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
Authors:Yang, R, Sankaran, B, Ogbonna, E, Wang, G.
Deposit date:2022-11-07
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:A Single-Entity Method for Actively Controlled Nucleation and High-Quality Protein Crystal Synthesis.
Anal.Chem., 95, 2023
8F1G
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BU of 8f1g by Molmil
Crystal structure of human WDR5 in complex with compound WM662
Descriptor: (2S)-2-({(2S)-3-(3'-chloro[1,1'-biphenyl]-4-yl)-1-oxo-1-[(1H-tetrazol-5-yl)amino]propan-2-yl}oxy)propanoic acid, GLYCEROL, SULFATE ION, ...
Authors:Liu, H.
Deposit date:2022-11-05
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Discovery of Potent Small-Molecule Inhibitors of WDR5-MYC Interaction.
Acs Chem.Biol., 18, 2023
8EW1
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BU of 8ew1 by Molmil
Structure of Bacple_01703-E145L
Descriptor: ACETATE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Ulaganathan, T, Cygler, M.
Deposit date:2022-10-21
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The porphyran degradation system of the human gut microbiota is complete, phylogenetically diverse and geographically structured across Asian populations
Biorxiv, 2023
8EVJ
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BU of 8evj by Molmil
CX3CR1 nucleosome bound PU.1 and C/EBPa
Descriptor: DNA (167-MER), Histone H2A type 2-C, Histone H2B type 2-E, ...
Authors:Guan, R, Bai, Y, Lian, T.
Deposit date:2022-10-20
Release date:2023-11-01
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural mechanism of synergistic targeting of the CX3CR1 nucleosome by PU.1 and C/EBP alpha.
Nat.Struct.Mol.Biol., 31, 2024
8EVI
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BU of 8evi by Molmil
CX3CR1 nucleosome and PU.1 complex containing disulfide bond mutations
Descriptor: DNA (167-MER), Histone H2A type 2-C, Histone H2B type 2-E, ...
Authors:Lian, T, Guan, R, Bai, Y.
Deposit date:2022-10-20
Release date:2023-11-01
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:Structural mechanism of synergistic targeting of the CX3CR1 nucleosome by PU.1 and C/EBP alpha.
Nat.Struct.Mol.Biol., 31, 2024
8EVH
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BU of 8evh by Molmil
CX3CR1 nucleosome and wild type PU.1 complex
Descriptor: DNA (162-MER), Histone H2A type 2-C, Histone H2B type 2-E, ...
Authors:Lian, T, Guan, R, Bai, Y.
Deposit date:2022-10-20
Release date:2023-11-01
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structural mechanism of synergistic targeting of the CX3CR1 nucleosome by PU.1 and C/EBP alpha.
Nat.Struct.Mol.Biol., 31, 2024
8EVG
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BU of 8evg by Molmil
162bp CX3CR1 nucleosome (further classified with better nucleosome end)
Descriptor: DNA (162-MER), Histone H2A type 2-C, Histone H2B type 2-E, ...
Authors:Tengfei, L, Ruifang, G, Yawen, B.
Deposit date:2022-10-20
Release date:2023-11-01
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Structural basis of cooperative targeting of the CX3CR1 nucleosome
To Be Published
8EUJ
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BU of 8euj by Molmil
Class2 of the INO80-Nucleosome complex
Descriptor: DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Wu, H, Munoz, E, Gourdet, M, Narlikar, G, Cheng, Y.F.
Deposit date:2022-10-18
Release date:2023-07-12
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility.
Science, 381, 2023
8EUE
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BU of 8eue by Molmil
Class1 of the INO80-Nucleosome complex
Descriptor: DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Wu, H, Munoz, E, Gourdet, M, Narlikar, G, Cheng, Y.F.
Deposit date:2022-10-18
Release date:2023-07-12
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility.
Science, 381, 2023
8EU2
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BU of 8eu2 by Molmil
Class3 of the INO80-Hexasome complex
Descriptor: DNA (110-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Wu, H, Munoz, E, Gourdet, M, Cheng, Y.F, Narlikar, G.
Deposit date:2022-10-18
Release date:2023-07-12
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility.
Science, 381, 2023
8ETV
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BU of 8etv by Molmil
Class2 of the INO80-Hexasome complex
Descriptor: DNA (110-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Wu, H, Munoz, E, Gourdet, M, Cheng, Y.F, Narlikar, G.
Deposit date:2022-10-17
Release date:2023-07-12
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility.
Science, 381, 2023
8ETT
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BU of 8ett by Molmil
Class1 of the INO80-Hexasome complex
Descriptor: DNA (110-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Wu, H, Munoz, E, Gourdet, M, Cheng, Y.F, Narlikar, G.
Deposit date:2022-10-17
Release date:2023-07-12
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (6.68 Å)
Cite:Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility.
Science, 381, 2023
8ETB
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BU of 8etb by Molmil
the crystal structure of a rationally designed zinc sensor based on maltose binding protein - Zn binding conformation
Descriptor: ACETATE ION, ZINC ION, Zinc Sensor protein
Authors:Zhao, Z, Zhou, M, Zemerov, S.D, Marmorstein, R, Dmochowski, I.J.
Deposit date:2022-10-16
Release date:2023-03-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Rational design of a genetically encoded NMR zinc sensor.
Chem Sci, 14, 2023
8ESX
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BU of 8esx by Molmil
HIV protease in complex with benzoxaborolone analog of darunavir
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Windsor, I.W, Graham, B.J, Raines, R.T.
Deposit date:2022-10-15
Release date:2023-02-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Inhibition of HIV-1 Protease by a Boronic Acid with High Oxidative Stability.
Acs Med.Chem.Lett., 14, 2023
8ESC
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BU of 8esc by Molmil
Structure of the Yeast NuA4 Histone Acetyltransferase Complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, Actin-related protein 4, ...
Authors:Patel, A.B, Zukin, S.A, Nogales, E.
Deposit date:2022-10-13
Release date:2022-11-16
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure and flexibility of the yeast NuA4 histone acetyltransferase complex.
Elife, 11, 2022
8EPV
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BU of 8epv by Molmil
2.2 A crystal structure of the lipocalin cat allergen Fel d 7
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Fel d 7 allergen, ...
Authors:Min, J, Pedersen, L.C, Geoffrey, M.A.
Deposit date:2022-10-06
Release date:2023-04-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural and ligand binding analysis of the pet allergens Can f 1 and Fel d 7.
Front Allergy, 4, 2023
8EP4
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BU of 8ep4 by Molmil
Structure of Bacple_01703
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, CALCIUM ION, ...
Authors:Ulaganathan, T, Cygler, M.
Deposit date:2022-10-05
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:The porphyran degradation system of the human gut microbiota is complete, phylogenetically diverse and geographically structured across Asian populations
Biorxiv, 2023
8EMI
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BU of 8emi by Molmil
Crystal structure of a HLA-B*35:01-NP8 epitope from 2005 H1N1 influenza strain
Descriptor: ACETATE ION, Beta-2-microglobulin, MHC class I antigen, ...
Authors:Littler, D.R, Rossjohn, J.
Deposit date:2022-09-27
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.57301509 Å)
Cite:Molecular determinants of cross-strain influenza A virus recognition by T-cell receptors
To Be Published
8EMG
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BU of 8emg by Molmil
Crystal structure of a HLA-B*35:01-NP7 epitope from 2002 H2N1 influenza strain
Descriptor: ACETATE ION, Beta-2-microglobulin, MHC class I antigen, ...
Authors:Littler, D.R, Rossjohn, J.
Deposit date:2022-09-27
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.83001268 Å)
Cite:Molecular determinants of cross-strain influenza A virus recognition by T-cell receptors
To Be Published
8ELH
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BU of 8elh by Molmil
Crystal Structure of HLA-B*15:01 in complex with spike derived peptide NQKLIANQF from SARS-CoV-2 virus
Descriptor: ACETATE ION, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Murdolo, L.D, Gras, S.
Deposit date:2022-09-24
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A common allele of HLA is associated with asymptomatic SARS-CoV-2 infection.
Nature, 620, 2023
8ELG
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BU of 8elg by Molmil
Crystal Structure of HLA-B*15:01 in complex with spike derived peptide NQKLIANAF from OC43 virus
Descriptor: ACETATE ION, Beta-2-microglobulin, NQK-OC43 peptide, ...
Authors:Murdolo, L.D, Gras, S.
Deposit date:2022-09-24
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A common allele of HLA is associated with asymptomatic SARS-CoV-2 infection.
Nature, 620, 2023
8EIM
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BU of 8eim by Molmil
Structure of ALAS with C-terminal truncation from S. cerevisiae
Descriptor: 5-aminolevulinate synthase, mitochondrial, ACETATE ION, ...
Authors:Tran, J.U, Brown, B.L.
Deposit date:2022-09-15
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The yeast ALA synthase C-terminus positively controls enzyme structure and function.
Protein Sci., 32, 2023
8EHN
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BU of 8ehn by Molmil
PRRSV-1 PLP2 domain
Descriptor: ACETATE ION, Papain-like protease 2, ZINC ION
Authors:Bailey-Elkin, B.A, Mark, B.L.
Deposit date:2022-09-14
Release date:2023-12-06
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Demonstrating the importance of porcine reproductive and respiratory syndrome virus papain-like protease 2 deubiquitinating activity in viral replication by structure-guided mutagenesis.
Plos Pathog., 19, 2023

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數據於2024-06-12公開中

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