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7V0E
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BU of 7v0e by Molmil
Crystal structure of the macro-oligomeric form of DNMT3B methyltransferase domain.
Descriptor: DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Gao, L, Lu, J, Song, J.
Deposit date:2022-05-10
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.27016377 Å)
Cite:Structure of DNMT3B homo-oligomer reveals vulnerability to impairment by ICF mutations.
Nat Commun, 13, 2022
8Q74
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BU of 8q74 by Molmil
Copper-transporting ATPase HMA4 in E1 state with Cu
Descriptor: COPPER (II) ION, Copper-transporting ATPase HMA4
Authors:Guo, Z, Gourdon, P, Wang, K.
Deposit date:2023-08-15
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Diverse roles of the metal binding domains and transport mechanism of copper transporting P-type ATPases.
Nat Commun, 15, 2024
8Q75
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BU of 8q75 by Molmil
Copper-transporting ATPase HMA4 in E2P state with AlF
Descriptor: Copper-transporting ATPase HMA4, MAGNESIUM ION, TETRAFLUOROALUMINATE ION
Authors:Guo, Z, Gourdon, P, Wang, K.
Deposit date:2023-08-15
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Diverse roles of the metal binding domains and transport mechanism of copper transporting P-type ATPases.
Nat Commun, 15, 2024
8Q76
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BU of 8q76 by Molmil
Copper-transporting ATPase HMA4 in E2P state with BeF
Descriptor: Copper-transporting ATPase HMA4, MAGNESIUM ION
Authors:Guo, Z, Gourdon, P, Wang, K.
Deposit date:2023-08-15
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Diverse roles of the metal binding domains and transport mechanism of copper transporting P-type ATPases.
Nat Commun, 15, 2024
5WVK
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BU of 5wvk by Molmil
Yeast proteasome-ADP-AlFx
Descriptor: 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ...
Authors:Ding, Z, Cong, Y.
Deposit date:2016-12-25
Release date:2017-03-22
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:High-resolution cryo-EM structure of the proteasome in complex with ADP-AlFx
Cell Res., 27, 2017
8GAS
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BU of 8gas by Molmil
vFP48.02 Fab in complex with BG505 DS-SOSIP Env trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2023-02-23
Release date:2023-04-19
Last modified:2023-06-14
Method:ELECTRON MICROSCOPY (4.04 Å)
Cite:Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
8G85
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BU of 8g85 by Molmil
vFP52.02 Fab in complex with BG505 DS-SOSIP Env trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2023-02-17
Release date:2023-04-19
Last modified:2023-06-14
Method:ELECTRON MICROSCOPY (3.99 Å)
Cite:Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
8G9W
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BU of 8g9w by Molmil
Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
Authors:Changela, A, Gorman, J, Kwong, P.D.
Deposit date:2023-02-22
Release date:2023-04-19
Last modified:2023-06-14
Method:ELECTRON MICROSCOPY (4.66 Å)
Cite:Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
8G9Y
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BU of 8g9y by Molmil
Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
Authors:Changela, A, Gorman, J, Kwong, P.D.
Deposit date:2023-02-22
Release date:2023-04-19
Last modified:2023-06-14
Method:ELECTRON MICROSCOPY (4.28 Å)
Cite:Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
7V9Q
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BU of 7v9q by Molmil
Crystal structure of the lanthipeptide zinc-metallopeptidase EryP from saccharopolyspora erythraea in open state
Descriptor: Alanine aminopeptidase, ZINC ION
Authors:Zhao, C, Zhao, N.L, Bao, R.
Deposit date:2021-08-26
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Conformational remodeling enhances activity of lanthipeptide zinc-metallopeptidases.
Nat.Chem.Biol., 18, 2022
7V9P
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BU of 7v9p by Molmil
Crystal structure of the lanthipeptide zinc-metallopeptidase EryP from saccharopolyspora erythraea in intermediate state
Descriptor: Alanine aminopeptidase, ZINC ION
Authors:Zhao, C, Zhao, N.L, Bao, R.
Deposit date:2021-08-26
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Conformational remodeling enhances activity of lanthipeptide zinc-metallopeptidases.
Nat.Chem.Biol., 18, 2022
7V9O
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BU of 7v9o by Molmil
Crystal structure of the lanthipeptide zinc-metallopeptidase EryP mutant E802R from saccharopolyspora erythraea
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alanine aminopeptidase, ZINC ION
Authors:Zhao, C, Zhao, N.L, Bao, R.
Deposit date:2021-08-26
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Conformational remodeling enhances activity of lanthipeptide zinc-metallopeptidases.
Nat.Chem.Biol., 18, 2022
7V9N
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BU of 7v9n by Molmil
Crystal structure of the lanthipeptide zinc-metallopeptidase EryP from saccharopolyspora erythraea in closed state
Descriptor: ACETATE ION, Alanine aminopeptidase, CALCIUM ION, ...
Authors:Zhao, C, Zhao, N.L, Bao, R.
Deposit date:2021-08-26
Release date:2022-05-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational remodeling enhances activity of lanthipeptide zinc-metallopeptidases.
Nat.Chem.Biol., 18, 2022
5ZMN
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BU of 5zmn by Molmil
Sulfur binding domain and SRA domain of ScoMcrA complexed with phosphorothioated DNA
Descriptor: DNA (5'-D(*CP*CP*CP*GP*(GS)P*CP*CP*GP*GP*G)-3'), SULFATE ION, Uncharacterized protein McrA
Authors:Liu, G, Fu, W, Zhang, Z, He, Y, Yu, H, Zhao, Y, Deng, Z, Wu, G, He, X.
Deposit date:2018-04-04
Release date:2018-09-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Structural basis for the recognition of sulfur in phosphorothioated DNA.
Nat Commun, 9, 2018
8FHS
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BU of 8fhs by Molmil
Human L-type voltage-gated calcium channel Cav1.2 in the presence of amiodarone and sofosbuvir at 3.3 Angstrom resolution
Descriptor: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gao, S, Yao, X, Yan, N.
Deposit date:2022-12-15
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
7MLM
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BU of 7mlm by Molmil
Crystal structure of mouse TLR4/MD-2 in complex with sulfatides
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Su, L, Beutler, B.
Deposit date:2021-04-28
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:Sulfatides are endogenous ligands for the TLR4-MD-2 complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
5UGC
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BU of 5ugc by Molmil
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
Descriptor: 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ...
Authors:Gajiwala, K.S, Ferre, R.A.
Deposit date:2017-01-08
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
7M4T
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BU of 7m4t by Molmil
Menin bound to M-1121
Descriptor: Menin, methyl {(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate, praseodymium triacetate
Authors:Stuckey, J.
Deposit date:2021-03-22
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Discovery of M-1121 as an Orally Active Covalent Inhibitor of Menin-MLL Interaction Capable of Achieving Complete and Long-Lasting Tumor Regression.
J.Med.Chem., 64, 2021
8H3T
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BU of 8h3t by Molmil
The crystal structure of AlpH
Descriptor: AlpH, GLYCEROL
Authors:Zhao, Y, Li, M, Jiang, M, Pan, L.F.
Deposit date:2022-10-09
Release date:2023-09-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.866 Å)
Cite:O-methyltransferase-like enzyme catalyzed diazo installation in polyketide biosynthesis.
Nat Commun, 14, 2023
8FVS
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BU of 8fvs by Molmil
Bromodomain of CBP liganded with CCS1477int
Descriptor: 1,2-ETHANEDIOL, Histone acetyltransferase, MAGNESIUM ION, ...
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2023-01-19
Release date:2024-01-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
5U69
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BU of 5u69 by Molmil
Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine
Descriptor: (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine, Polycomb protein EED
Authors:Jakob, C.G, Zhu, H.
Deposit date:2016-12-07
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
6IPJ
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BU of 6ipj by Molmil
Binary Complex of Human DNA Polymerase Mu with MndTTP
Descriptor: DNA-directed DNA/RNA polymerase mu,DNA-directed DNA/RNA polymerase mu, MANGANESE (II) ION, SULFATE ION, ...
Authors:Chang, Y.K, Wu, W.J, Tsai, M.D.
Deposit date:2018-11-03
Release date:2019-05-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Human DNA Polymerase mu Can Use a Noncanonical Mechanism for Multiple Mn2+-Mediated Functions.
J.Am.Chem.Soc., 141, 2019
3KL1
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BU of 3kl1 by Molmil
Crystal structure of abscisic acid receptor PYL2 at 1.55 A
Descriptor: Putative uncharacterized protein At2g26040
Authors:Zhang, X, Wang, G, Chen, Z.
Deposit date:2009-11-06
Release date:2010-11-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
6IPH
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BU of 6iph by Molmil
Binary Complex of Human DNA Polymerase Mu with MndATP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA-directed DNA/RNA polymerase mu, MANGANESE (II) ION, ...
Authors:Chang, Y.K, Wu, W.J, Tsai, M.D.
Deposit date:2018-11-03
Release date:2019-05-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Human DNA Polymerase mu Can Use a Noncanonical Mechanism for Multiple Mn2+-Mediated Functions.
J.Am.Chem.Soc., 141, 2019
6IPG
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BU of 6ipg by Molmil
Post-catalytic Complex of Human DNA Polymerase Mu with Templating Cytosine and Mg-8oxodGMP
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA (5'-D(*CP*GP*GP*CP*CP*TP*AP*CP*G)-3'), ...
Authors:Chang, Y.K, Wu, W.J, Tsai, M.D.
Deposit date:2018-11-03
Release date:2019-05-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Human DNA Polymerase mu Can Use a Noncanonical Mechanism for Multiple Mn2+-Mediated Functions.
J.Am.Chem.Soc., 141, 2019

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