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8EJP
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BU of 8ejp by Molmil
Crystal structure of the homeodomain of Platypus sDUX in complex with DNA containing 5-Bromouracil
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*CP*GP*C)-3'), ...
Authors:Yin, L, Shi, K, Aihara, H.
Deposit date:2022-09-18
Release date:2023-09-20
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.174 Å)
Cite:Antagonism among DUX family members evolved from an ancestral toxic single homeodomain protein.
Iscience, 26, 2023
7O82
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BU of 7o82 by Molmil
The L-arginine/agmatine antiporter from E. coli at 1.7 A resolution
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Arginine/agmatine antiporter, DECANE, ...
Authors:Jeckelmann, J.M, Ilgue, H, Kalbermatter, D, Fotiadis, D.
Deposit date:2021-04-14
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:High-resolution structure of the amino acid transporter AdiC reveals insights into the role of water molecules and networks in oligomerization and substrate binding.
Bmc Biol., 19, 2021
8EJO
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BU of 8ejo by Molmil
Crystal structure of the homeodomain of Platypus sDUX in complex with DNA
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*CP*GP*C)-3'), ...
Authors:Yin, L, Shi, K, Aihara, H.
Deposit date:2022-09-18
Release date:2023-09-20
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Antagonism among DUX family members evolved from an ancestral toxic single homeodomain protein.
Iscience, 26, 2023
7OJY
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BU of 7ojy by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 6
Descriptor: 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-oxidanyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION
Authors:Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
Deposit date:2021-05-17
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
7OMN
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BU of 7omn by Molmil
Anti-EphA1 JD1-1 VH domain
Descriptor: GLYCEROL, IMIDAZOLE, JD1-1 VH domain
Authors:Ereno Orbea, J, Nilvebrant, J, Sidhu, S, Julien, J.P.
Deposit date:2021-05-24
Release date:2021-10-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Systematic Engineering of Optimized Autonomous Heavy-Chain Variable Domains.
J.Mol.Biol., 433, 2021
7OK1
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BU of 7ok1 by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 3
Descriptor: Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]ethanamide
Authors:Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
Deposit date:2021-05-17
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
6VRB
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BU of 6vrb by Molmil
Cryo-EM structure of AcrVIA1-Cas13(crRNA) complex
Descriptor: AcrVIA1, CRISPR-associated endoribonuclease Cas13a, RNA (52-MER)
Authors:Jia, N, Meeske, A.J, Marraffini, L.A, Patel, D.J.
Deposit date:2020-02-07
Release date:2020-06-10
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A phage-encoded anti-CRISPR enables complete evasion of type VI-A CRISPR-Cas immunity.
Science, 369, 2020
6MXF
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BU of 6mxf by Molmil
MicroED structure of thiostrepton at 1.9 A resolution
Descriptor: Thiostrepton
Authors:Jones, C.G, Martynowycz, M.W, Hattne, J, Fulton, T, Stoltz, B.M, Rodriguez, J.A, Nelson, H.M, Gonen, T.
Deposit date:2018-10-30
Release date:2018-11-21
Last modified:2023-11-15
Method:ELECTRON CRYSTALLOGRAPHY (1.91 Å)
Cite:The CryoEM Method MicroED as a Powerful Tool for Small Molecule Structure Determination.
ACS Cent Sci, 4, 2018
3CAY
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BU of 3cay by Molmil
Crystal structure of Lipopeptide Detergent (LPD-12)
Descriptor: DODECYL-BETA-D-MALTOSIDE, LPD-12
Authors:Ho, D.N, Pomroy, N.C, Cuesta-Seijo, J.A, Prive, G.G.
Deposit date:2008-02-20
Release date:2008-09-09
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of a self-assembling lipopeptide detergent at 1.20 A.
Proc.Natl.Acad.Sci.USA, 105, 2008
5KR4
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BU of 5kr4 by Molmil
Directed Evolution of Transaminases By Ancestral Reconstruction. Using Old Proteins for New Chemistries
Descriptor: 1,2-ETHANEDIOL, 4-aminobutyrate transaminase, PYRIDOXAL-5'-PHOSPHATE
Authors:Wilding, M, Newman, J, Peat, T.S, Scott, C.
Deposit date:2016-07-06
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
Green Chemistry, 19, 2017
1EPR
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BU of 1epr by Molmil
ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-135,040
Descriptor: ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide
Authors:Badasso, M, Crawford, M, Cooper, J.B, Blundell, T.L.
Deposit date:1994-07-27
Release date:1994-12-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A structural comparison of 21 inhibitor complexes of the aspartic proteinase from Endothia parasitica.
Protein Sci., 3, 1994
8YGV
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BU of 8ygv by Molmil
F1 domain of Non-catalytic site depleted and epsilon C-terminal domain deleted FoF1-ATPase from Bacillus PS3,nucleotide depleted condition
Descriptor: ATP synthase gamma chain, ATP synthase subunit alpha, ATP synthase subunit beta
Authors:Kobayashi, R, Nakano, A, Mitsuoka, K, Yokoyama, K.
Deposit date:2024-02-27
Release date:2025-03-05
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:ADP-inhibited structure of non-catalytic site-depleted F o F 1 -ATPase from thermophilic Bacillus sp. PS-3.
Biochim Biophys Acta Bioenerg, 1866, 2025
6VRC
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BU of 6vrc by Molmil
Cryo-EM structure of Cas13(crRNA)
Descriptor: CRISPR-associated endoribonuclease Cas13a, RNA (51-MER)
Authors:Jia, N, Meeske, A.J, Marraffini, L.A, Patel, D.J.
Deposit date:2020-02-07
Release date:2020-06-10
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A phage-encoded anti-CRISPR enables complete evasion of type VI-A CRISPR-Cas immunity.
Science, 369, 2020
7O04
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BU of 7o04 by Molmil
Crystal structure of a shortened IpgC variant in complex with [(2-chloro-5-nitrophenyl)methyl](methyl)amine
Descriptor: 1-(2-chloro-5-nitrophenyl)-N-methylmethanamine, CHLORIDE ION, Chaperone protein IpgC, ...
Authors:Gardonyi, M, Heine, A, Klebe, G.
Deposit date:2021-03-25
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of a shortened IpgC variant in complex with [(2-chloro-5-nitrophenyl)methyl](methyl)amine
To be published
9FNU
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BU of 9fnu by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH13579
Descriptor: 3-(2-azanylethyl)-2-pyridin-3-yl-1~{H}-indol-5-ol, GLYCEROL, N-glycosylase/DNA lyase, ...
Authors:Scaletti, E, Stenmark, P.
Deposit date:2024-06-11
Release date:2025-06-25
Last modified:2025-10-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Giving an Enzyme Scissors: Serotonin Derivatives as Potent Organocatalytic Switches for DNA Repair Enzyme OGG1.
J.Med.Chem., 2025
6W98
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BU of 6w98 by Molmil
Single-Particle Cryo-EM Structure of Arabinofuranosyltransferase AftD from Mycobacteria
Descriptor: 4'-PHOSPHOPANTETHEINE, Acyl carrier protein, CALCIUM ION, ...
Authors:Tan, Y.Z, Zhang, L, Rodrigues, J, Zheng, R.B, Giacometti, S.I, Rosario, A.L, Kloss, B, Dandey, V.P, Wei, H, Brunton, R, Raczkowski, A.M, Athayde, D, Catalao, M.J, Pimentel, M, Clarke, O.B, Lowary, T.L, Archer, M, Niederweis, M, Potter, C.S, Carragher, B, Mancia, F.
Deposit date:2020-03-22
Release date:2020-05-13
Last modified:2025-04-02
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria.
Mol.Cell, 78, 2020
8RD3
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BU of 8rd3 by Molmil
Crystal structure of Saccharomyces cerevisiae Nmd4 protein bound to Upf1 helicase domain
Descriptor: 1,2-ETHANEDIOL, ATP-dependent helicase NAM7, FORMIC ACID, ...
Authors:Barbarin-Bocahu, I, Graille, M.
Deposit date:2023-12-07
Release date:2024-08-14
Last modified:2025-02-26
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Structure of the Nmd4-Upf1 complex supports conservation of the nonsense-mediated mRNA decay pathway between yeast and humans.
Plos Biol., 22, 2024
8YH8
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BU of 8yh8 by Molmil
F1 domain of Non-catalytic site depleted and epsilon C-terminal domain deleted FoF1-ATPase from Bacillus PS3,under ATP saturated condition
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Kobayashi, R, Nakano, A, Mitsuoka, K, Yokoyama, K.
Deposit date:2024-02-27
Release date:2025-05-14
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:ADP-inhibited structure of non-catalytic site-depleted F o F 1 -ATPase from thermophilic Bacillus sp. PS-3.
Biochim Biophys Acta Bioenerg, 1866, 2025
7O9Y
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BU of 7o9y by Molmil
Crystal structure of di-phosphorylated human CLK1 in complex with 4-(1H-indol-3-yl)pyrimidin-2-amine
Descriptor: 4-(1~{H}-indol-3-yl)pyrimidin-2-amine, Dual specificity protein kinase CLK1
Authors:Livnah, O, Domovich, Y, Bracher, F, Aiger, C.
Deposit date:2021-04-18
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Development of novel CLK1 inhibitors as potential drugs for treatment of Chikungunya virus infections
To Be Published
7OPB
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BU of 7opb by Molmil
IL7R in complex with an antagonist
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, IL7R binder, ...
Authors:Markovic, I, Verschueren, K.H.G, Verstraete, K, Savvides, S.N.
Deposit date:2021-05-31
Release date:2022-05-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.144 Å)
Cite:Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
6VIU
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BU of 6viu by Molmil
HLA-B*15:02 complexed with a synthetic peptide
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ...
Authors:Schutte, R.J, Li, D, Ostrov, D.A.
Deposit date:2020-01-14
Release date:2020-11-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.334 Å)
Cite:HLA-B*15:02 complexed with a synthetic peptide
To Be Published
8FDR
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BU of 8fdr by Molmil
Structure of a dodecamer complex: 5'-CGCGAAAAGCCG-3-DB1476
Descriptor: 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*GP*AP*AP*AP*AP*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*GP*TP*TP*TP*TP*CP*GP*CP*G)-3'), ...
Authors:Ogbonna, E, Wilson, W.D.
Deposit date:2022-12-04
Release date:2023-02-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
6VVC
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BU of 6vvc by Molmil
Legionella pneumophila Lpg2603 kinase
Descriptor: 1,2-ETHANEDIOL, Dot/Icm T4SS effector
Authors:Tomchick, D.R, Tagliabracci, V.S, Park, B.C.
Deposit date:2020-02-17
Release date:2020-04-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:ALegionellaeffector kinase is activated by host inositol hexakisphosphate.
J.Biol.Chem., 295, 2020
8Z75
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BU of 8z75 by Molmil
The structure of non-activated thiocyanate dehydrogenase from Pelomicrobium methylotrophicum (pmTcDH)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ...
Authors:Varfolomeeva, L.A, Solovieva, A.Y, Shipkov, N.S, Dergousova, N.I, Boyko, K.M, Tikhonova, T.V, Popov, V.O.
Deposit date:2024-04-19
Release date:2024-05-08
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Effect of Copper Ions on the Crystal Packing and Conformation of Thiocyanate Dehydrogenase in the Crystal Structure
Crystallography Reports, 70, 2025
7OL5
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BU of 7ol5 by Molmil
Crystal structure of Lysozyme in complex with Hepes
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ISOPROPYL ALCOHOL, Lysozyme
Authors:Camara-Artigas, A, Salinas-Garcia, M.C, Plaza-Garrido, M.
Deposit date:2021-05-19
Release date:2022-06-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (0.94 Å)
Cite:Crystal structure of Lysozyme in complex with Hepes
To be published

244349

数据于2025-11-05公开中

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