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5MMC
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BU of 5mmc by Molmil
Trypanosoma brucei Pex14 N-terminal domain
Descriptor: Peroxin 14
Authors:Emmanouilidis, L, Tripsianes, K, Sattler, M.
Deposit date:2016-12-09
Release date:2017-03-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Inhibitors of PEX14 disrupt protein import into glycosomes and kill Trypanosoma parasites.
Science, 355, 2017
5MT6
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BU of 5mt6 by Molmil
Structure of E.coli GlpG in complex with peptide derived inhibitor Ac-RVRHA-phenylethyl-ketoamide
Descriptor: ACE-ARG-VAL-ARG-HIS-ALA-V9C, Rhomboid protease GlpG, nonyl beta-D-glucopyranoside
Authors:Vinothkumar, K.R.
Deposit date:2017-01-06
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:General and Modular Strategy for Designing Potent, Selective, and Pharmacologically Compliant Inhibitors of Rhomboid Proteases.
Cell Chem Biol, 24, 2017
5MT8
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BU of 5mt8 by Molmil
Structure of E.coli GlpG in complex with peptide derived inhibitor Ac-RVRHA-cmk
Descriptor: ACE-ARG-VAL-ARG-HIS-ALA-0QE, CHLORIDE ION, Rhomboid protease GlpG, ...
Authors:Vinothkumar, K.R.
Deposit date:2017-01-06
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:General and Modular Strategy for Designing Potent, Selective, and Pharmacologically Compliant Inhibitors of Rhomboid Proteases.
Cell Chem Biol, 24, 2017
7R76
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BU of 7r76 by Molmil
Cryo-EM structure of DNMT5 in apo state
Descriptor: DNA repair protein Rad8, ZINC ION
Authors:Wang, J, Patel, D.J.
Deposit date:2021-06-24
Release date:2022-02-23
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insights into DNMT5-mediated ATP-dependent high-fidelity epigenome maintenance.
Mol.Cell, 82, 2022
7R77
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BU of 7r77 by Molmil
Cryo-EM structure of DNMT5 binary complex with hemimethylated DNA
Descriptor: DNA (5'-D(P*GP*TP*CP*AP*GP*(5CM)P*GP*CP*AP*TP*GP*G)-3'), DNA repair protein Rad8, ZINC ION
Authors:Wang, J, Patel, D.J.
Deposit date:2021-06-24
Release date:2022-02-23
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into DNMT5-mediated ATP-dependent high-fidelity epigenome maintenance.
Mol.Cell, 82, 2022
7R78
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BU of 7r78 by Molmil
cryo-EM structure of DNMT5 quaternary complex with hemimethylated DNA, AMP-PNP and SAH
Descriptor: DNA (5'-D(*TP*GP*CP*GP*CP*TP*GP*AP*CP*A)-3'), DNA (5'-D(P*CP*AP*GP*(5CM)P*GP*CP*AP*T)-3'), DNA repair protein Rad8, ...
Authors:Wang, J, Patel, D.J.
Deposit date:2021-06-24
Release date:2022-02-23
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural insights into DNMT5-mediated ATP-dependent high-fidelity epigenome maintenance.
Mol.Cell, 82, 2022
8ENT
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BU of 8ent by Molmil
Interleukin-21 signaling complex with IL-21R and IL-2Rg
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Abhiraman, G.C, Jude, K.M, Garcia, K.C.
Deposit date:2022-09-30
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:A structural blueprint for interleukin-21 signal modulation.
Cell Rep, 42, 2023
6UWI
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BU of 6uwi by Molmil
Crystal structure of the Clostridium difficile translocase CDTb
Descriptor: ADP-ribosyltransferase binding component, CALCIUM ION
Authors:Pozharski, E.
Deposit date:2019-11-05
Release date:2020-01-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structure of the cell-binding component of theClostridium difficilebinary toxin reveals a di-heptamer macromolecular assembly.
Proc.Natl.Acad.Sci.USA, 117, 2020
5N8V
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BU of 5n8v by Molmil
Targeting the PEX14-PEX5 interaction by small molecules provides novel therapeutic routes to treat trypanosomiases.
Descriptor: 1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Dawidowski, M, Emmanouilidis, L, Sattler, M, Popowicz, G.M.
Deposit date:2017-02-24
Release date:2017-03-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Inhibitors of PEX14 disrupt protein import into glycosomes and kill Trypanosoma parasites.
Science, 355, 2017
6R76
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BU of 6r76 by Molmil
Crystal structure of trans-3-Hydroxy-L-proline dehydratase from Thermococcus litoralis - open conformation
Descriptor: Proline racemase
Authors:Ferraris, D.M, Miggiano, R, Rizzi, M.
Deposit date:2019-03-28
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Thermococcus litoralis trans-3-hydroxy-l-proline dehydratase in the free and substrate-complexed form.
Biochem.Biophys.Res.Commun., 516, 2019
6R77
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BU of 6r77 by Molmil
Crystal structure of trans-3-Hydroxy-L-proline dehydratase in complex with substrate - closed conformation
Descriptor: 3-HYDROXYPROLINE, Proline racemase
Authors:Ferraris, D.M, Miggiano, R, Rizzi, M.
Deposit date:2019-03-28
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Thermococcus litoralis trans-3-hydroxy-l-proline dehydratase in the free and substrate-complexed form.
Biochem.Biophys.Res.Commun., 516, 2019
6UWR
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BU of 6uwr by Molmil
Clostridium difficile binary toxin translocase CDTb in asymmetric tetradecamer conformation
Descriptor: ADP-ribosyltransferase binding component, CALCIUM ION
Authors:Xu, X, Pozharski, E, des Georges, A.
Deposit date:2019-11-05
Release date:2020-01-22
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure of the cell-binding component of theClostridium difficilebinary toxin reveals a di-heptamer macromolecular assembly.
Proc.Natl.Acad.Sci.USA, 117, 2020
5MT7
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BU of 5mt7 by Molmil
Structure of E.coli GlpG in complex with peptide derived inhibitor Ac-VRHA-cmk
Descriptor: ACE-VAL-ARG-HIS-ALA-0QE, Rhomboid protease GlpG
Authors:Vinothkumar, K.R.
Deposit date:2017-01-06
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:General and Modular Strategy for Designing Potent, Selective, and Pharmacologically Compliant Inhibitors of Rhomboid Proteases.
Cell Chem Biol, 24, 2017
7LTO
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BU of 7lto by Molmil
Nse5-6 complex
Descriptor: Non-structural maintenance of chromosome element 5, Ubiquitin-like protein SMT3,DNA repair protein KRE29 chimera
Authors:Yu, Y, Li, S.B, Zheng, S, Tangy, S, Koyi, C, Wan, B.B, Kung, H.H, Andrej, S, Alex, K, Patel, D.J, Zhao, X.L.
Deposit date:2021-02-19
Release date:2021-05-19
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Integrative analysis reveals unique structural and functional features of the Smc5/6 complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
6UWO
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BU of 6uwo by Molmil
Crystal structure of receptor binding domain 2 from Clostridium difficile translocase CDTb
Descriptor: ADP-ribosyltransferase binding component
Authors:Pozharski, E.
Deposit date:2019-11-05
Release date:2020-01-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the cell-binding component of theClostridium difficilebinary toxin reveals a di-heptamer macromolecular assembly.
Proc.Natl.Acad.Sci.USA, 117, 2020
7S76
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BU of 7s76 by Molmil
HBV CAPSID Y132A WITH COMPOUND 10b AT 2.5A RESOLUTION
Descriptor: (1-methyl-1H-1,2,4-triazol-3-yl)methyl {(4S)-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl}carbamate, Capsid protein
Authors:Olland, A.M, Suto, R.K.
Deposit date:2021-09-15
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The identification of highly efficacious functionalised tetrahydrocyclopenta[ c ]pyrroles as inhibitors of HBV viral replication through modulation of HBV capsid assembly.
Rsc Med Chem, 13, 2022
6UWT
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BU of 6uwt by Molmil
Clostridium difficile binary toxin translocase CDTb tetradecamer in symmetric conformation
Descriptor: ADP-ribosyltransferase binding component, CALCIUM ION
Authors:Xu, X, Pozharski, E, des Georges, A.
Deposit date:2019-11-05
Release date:2020-01-22
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the cell-binding component of theClostridium difficilebinary toxin reveals a di-heptamer macromolecular assembly.
Proc.Natl.Acad.Sci.USA, 117, 2020
5HN0
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BU of 5hn0 by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 4
Descriptor: (6-hydroxybiphenyl-3-yl)acetic acid, RNA-directed RNA polymerase NS5, ZINC ION
Authors:Noble, C.G.
Deposit date:2016-01-17
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design.
J.Med.Chem., 59, 2016
7N5H
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BU of 7n5h by Molmil
Cryo-EM structure of broadly neutralizing antibody 2-36 in complex with prefusion SARS-CoV-2 spike glycoprotein
Descriptor: 2-36 Fab heavy chain, 2-36 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Casner, R.G, Cerutti, G, Shapiro, L.
Deposit date:2021-06-05
Release date:2021-11-03
Last modified:2022-11-16
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:A monoclonal antibody that neutralizes SARS-CoV-2 variants, SARS-CoV, and other sarbecoviruses.
Emerg Microbes Infect, 11, 2022
6VQN
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BU of 6vqn by Molmil
Co-crystal structure of human PD-L1 complexed with Compound A
Descriptor: N,N'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide), Programmed cell death 1 ligand 1
Authors:White, A, Lakshminarasimhan, D, Leo, C, Suto, R.K.
Deposit date:2020-02-05
Release date:2021-01-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Checkpoint inhibition through small molecule-induced internalization of programmed death-ligand 1.
Nat Commun, 12, 2021
5HMZ
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BU of 5hmz by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 23
Descriptor: 5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-4-methoxy-2-methyl-N-(methylsulfonyl)benzamide, RNA-directed RNA polymerase NS5, ZINC ION
Authors:Noble, C.G.
Deposit date:2016-01-17
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design
J.Med.Chem., 59, 2016
3ALY
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BU of 3aly by Molmil
Crystal Structure of RNase HI from Sulfolobus tokodaii with C-terminal deletion
Descriptor: Putative uncharacterized protein ST0753
Authors:Angkawidjaja, C, Takano, K, Kanaya, S.
Deposit date:2010-08-10
Release date:2011-06-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Stabilization by fusion to the C-terminus of hyperthermophile Sulfolobus tokodaii RNase HI: a possibility of protein stabilization tag
Plos One, 6, 2011
4QO2
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BU of 4qo2 by Molmil
Crystal structure of rhomboid intramembrane protease GlpG in complex with peptide derived inhibitor Ac-IATA-cmk
Descriptor: 6-AMINO-2-METHYL-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, CHLORIDE ION, Rhomboid protease GlpG, ...
Authors:Zoll, S, Strisovsky, K.
Deposit date:2014-06-19
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Substrate binding and specificity of rhomboid intramembrane protease revealed by substrate-peptide complex structures.
Embo J., 33, 2014
3FKK
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BU of 3fkk by Molmil
Structure of L-2-keto-3-deoxyarabonate dehydratase
Descriptor: L-2-keto-3-deoxyarabonate dehydratase, PHOSPHATE ION
Authors:Shimada, N, Mikami, B.
Deposit date:2008-12-17
Release date:2010-01-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of L -2-keto-3-deoxyarabonate dehydratase an enzyme involved in an alternative bacterial pathway of L-arabinose metabolism in complex with pyruvate
To be Published
3FKR
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BU of 3fkr by Molmil
Structure of L-2-keto-3-deoxyarabonate dehydratase complex with pyruvate
Descriptor: L-2-keto-3-deoxyarabonate dehydratase, PHOSPHATE ION, SODIUM ION
Authors:Shimada, N, Mikami, B.
Deposit date:2008-12-17
Release date:2010-02-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Structural analysis of L -2-keto-3-deoxyarabonate dehydratase an enzyme involved in an alternative bacterial pathway of L-arabinose metabolism in complex with pyruvate
To be Published

225399

数据于2024-09-25公开中

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