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7OJG
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BU of 7ojg by Molmil
CRYO-EM STRUCTURE OF UNDECAMERIC SLYB FROM ESCHERICHIA COLI K12
Descriptor: (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(~{E},3~{R})-3-dodecanoyloxytetradec-5-enoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(~{E},3~{R})-3-oxidanyltetradec-11-enoyl]amino]-4-[(~{E},3~{R})-3-oxidanyltetradec-5-enoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(~{E},3~{R})-3-tetradecanoyloxytetradec-7-enoyl]oxy-oxan-2-yl]methoxy]-4,5-bis(oxidanyl)oxane-2-carboxylic acid, 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, GLYCEROL, ...
Authors:Nguyen, V.S, Remaut, H.
Deposit date:2021-05-14
Release date:2022-08-03
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:SlyB encapsulates outer membrane proteins in stress-induced lipid nanodomains
Nature, 2023
7OJM
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BU of 7ojm by Molmil
CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H251A VARIANT COMPLEXED WITH 2-METHYL-QUINOLIN-4(1H)-ONE UNDER NORMOXIC CONDITIONS
Descriptor: 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, GLYCEROL, ...
Authors:Bui, S, Steiner, R.A.
Deposit date:2021-05-16
Release date:2022-06-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
7OJO
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BU of 7ojo by Molmil
Tankyrase 2 in complex with two small molecule fragments
Descriptor: 4-acetamido-~{N}-(2-methoxyphenyl)benzamide, Poly [ADP-ribose] polymerase tankyrase-2, SULFATE ION, ...
Authors:Sowa, S.T, Lehtio, L.
Deposit date:2021-05-17
Release date:2022-06-01
Last modified:2025-06-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Deconstruction of Dual-Site Tankyrase Inhibitors Provides Insights into Binding Energetics and Suggests Critical Hotspots for Ligand Optimization.
J.Med.Chem., 68, 2025
7OK6
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BU of 7ok6 by Molmil
Crystal structure of UNC119B in complex with LCK peptide
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, LCK peptide, ...
Authors:Yelland, T, Ismail, S.
Deposit date:2021-05-17
Release date:2021-06-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:The Structural and Biochemical Characterization of UNC119B Cargo Binding and Release Mechanisms.
Biochemistry, 60, 2021
7OK8
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BU of 7ok8 by Molmil
Crystal structure of human carbonic anhydrase II with 4-((2-hydroxy-3-(phenylselanyl)propyl)thio)benzenesulfonamide
Descriptor: 4-((2-hydroxy-3-(phenylselanyl)propyl)thio)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-05-17
Release date:2022-06-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Chalcogenides-incorporating carbonic anhydrase inhibitors concomitantly reverted oxaliplatin-induced neuropathy and enhanced antiproliferative action.
Eur.J.Med.Chem., 225, 2021
7OKO
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BU of 7oko by Molmil
Structure of the outer-membrane core complex (outer ring) from a conjugative type IV secretion system
Descriptor: TraB, Type IV conjugative transfer system lipoprotein TraV, Type-F conjugative transfer system secretin TraK
Authors:Amin, H, Ilangovan, A, Costa, T.R.D.
Deposit date:2021-05-18
Release date:2021-12-08
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Architecture of the outer-membrane core complex from a conjugative type IV secretion system.
Nat Commun, 12, 2021
7OKR
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BU of 7okr by Molmil
Catalytic domain from the Aliivibrio salmonicida lytic polysaccharide monooxygenase AsLPMO10B
Descriptor: COPPER (II) ION, Chitinase B, DI(HYDROXYETHYL)ETHER
Authors:Cordara, G, Leitl, K.D, Loose, J.S.M, Vaaje-Kolstad, G, Krengel, U.
Deposit date:2021-05-18
Release date:2022-06-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Chitinolytic enzymes contribute to the pathogenicity of Aliivibrio salmonicida LFI1238 in the invasive phase of cold-water vibriosis.
Bmc Microbiol., 22, 2022
7OKZ
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BU of 7okz by Molmil
CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H251A VARIANT COMPLEXED WITH 2-METHYL- QUINOLIN-4(1H)-ONE UNDER HYPEROXIC CONDITIONS
Descriptor: 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, D(-)-TARTARIC ACID, ...
Authors:Bui, S, Steiner, R.A.
Deposit date:2021-05-18
Release date:2022-06-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
7OLC
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BU of 7olc by Molmil
Thermophilic eukaryotic 80S ribosome at idle POST state
Descriptor: 18S rRNA, 26S rRNA, 40S ribosomal protein S0, ...
Authors:Kisonaite, M, Wild, K, Sinning, I.
Deposit date:2021-05-19
Release date:2022-01-26
Last modified:2022-04-06
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:High-resolution structures of a thermophilic eukaryotic 80S ribosome reveal atomistic details of translocation.
Nat Commun, 13, 2022
7OLD
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BU of 7old by Molmil
Thermophilic eukaryotic 80S ribosome at pe/E (TI)-POST state
Descriptor: 18S rRNA, 26S rRNA, 40S ribosomal protein S0, ...
Authors:Kisonaite, M, Wild, K, Sinning, I.
Deposit date:2021-05-19
Release date:2022-01-26
Last modified:2022-02-09
Method:ELECTRON MICROSCOPY (3 Å)
Cite:High-resolution structures of a thermophilic eukaryotic 80S ribosome reveal atomistic details of translocation.
Nat Commun, 13, 2022
7OLJ
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BU of 7olj by Molmil
Tankyrase 2 in complex with an inhibitor (OUL219)
Descriptor: 8-propan-2-yloxy-4~{H}-thieno[2,3-c]isoquinolin-5-one, GLYCEROL, Poly [ADP-ribose] polymerase tankyrase-2, ...
Authors:Sowa, S.T, Lehtio, L.
Deposit date:2021-05-20
Release date:2021-12-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.
Bioorg.Med.Chem., 52, 2021
7OLN
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BU of 7oln by Molmil
Structure of the N-terminal domain of BC2L-C lectin (1-131) in complex with Lewis y antigen
Descriptor: Lectin, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose
Authors:Bermeo, R, Varrot, A.
Deposit date:2021-05-20
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure of the N-terminal domain of BC2L-C lectin (1-131) in complex with Lewis y antigen
To Be Published
7OLU
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BU of 7olu by Molmil
Structure of the N-terminal domain of BC2L-C lectin (1-131) in complex with a synthetic beta-C-fucoside ligand
Descriptor: (2-(4-(beta-L-fucopyranosylethynyl)phenyl)-2-methylpropan-1-amine, Lectin
Authors:Bermeo, R, Varrot, A.
Deposit date:2021-05-20
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.793 Å)
Cite:Targeting a Multidrug-Resistant Pathogen: First Generation Antagonists of Burkholderia cenocepacia 's BC2L-C Lectin.
Acs Chem.Biol., 17, 2022
7OLW
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BU of 7olw by Molmil
Structure of the N-terminal domain of BC2L-C lectin (1-131) in complex with a synthetic beta-N-fucoside ligand
Descriptor: 5-(3-aminophenyl)furan-2-carboxamido-(beta-L-fucopyranose), Lectin
Authors:Bermeo, R, Varrot, A.
Deposit date:2021-05-20
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Targeting a Multidrug-Resistant Pathogen: First Generation Antagonists of Burkholderia cenocepacia 's BC2L-C Lectin.
Acs Chem.Biol., 17, 2022
7OM1
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BU of 7om1 by Molmil
Tankyrase 2 in complex with an inhibitor (OUL220)
Descriptor: 8-methoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one, GLYCEROL, Poly [ADP-ribose] polymerase tankyrase-2, ...
Authors:Sowa, S.T, Lehtio, L.
Deposit date:2021-05-21
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.
Bioorg.Med.Chem., 52, 2021
7OMC
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BU of 7omc by Molmil
Tankyrase 2 in complex with an inhibitor (OUL228)
Descriptor: 8-propan-2-yloxy-4~{H}-thieno[2,3-c]isoquinolin-5-one, GLYCEROL, Poly [ADP-ribose] polymerase tankyrase-2, ...
Authors:Sowa, S.T, Lehtio, L.
Deposit date:2021-05-21
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.
Bioorg.Med.Chem., 52, 2021
7OMI
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BU of 7omi by Molmil
Bs164 in complex with mannocyclophellitol epoxide
Descriptor: (1R,2S,4S,5R)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Armstrong, Z, Mcgregor, N, Davies, G.
Deposit date:2021-05-24
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases.
Org.Biomol.Chem., 20, 2022
7OMS
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BU of 7oms by Molmil
Bs164 in complex with mannocyclophellitol aziridine
Descriptor: (1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:McGregor, N, Beenakker, T, Kuo, C.L, Wong, C.S, Offren, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H, Davies, G.J.
Deposit date:2021-05-24
Release date:2022-02-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases.
Org.Biomol.Chem., 20, 2022
7OMU
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BU of 7omu by Molmil
Thermosipho africanus DarTG in complex with ADP-ribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Macro domain-containing protein
Authors:Ariza, A.
Deposit date:2021-05-24
Release date:2021-06-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
7OMV
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BU of 7omv by Molmil
Thermus sp. 2.9 DarT
Descriptor: CHLORIDE ION, DarT domain-containing protein, THIOCYANATE ION
Authors:Schuller, M, Ariza, A.
Deposit date:2021-05-24
Release date:2021-06-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
7OMW
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BU of 7omw by Molmil
Thermus sp. 2.9 DarT in complex with NAD+
Descriptor: DarT domain-containing protein, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Schuller, M, Ariza, A.
Deposit date:2021-05-24
Release date:2021-06-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
7OMX
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BU of 7omx by Molmil
Thermus sp. 2.9 DarT in complex with carba-NAD+
Descriptor: CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, DarT domain-containing protein, THIOCYANATE ION
Authors:Schuller, M, Ariza, A.
Deposit date:2021-05-24
Release date:2021-06-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
7OMY
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BU of 7omy by Molmil
Thermus sp. 2.9 DarT in complex with carba-NAD+ and ssDNA
Descriptor: CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, DNA (5'-D(*AP*TP*GP*TP*C)-3'), DarT domain-containing protein, ...
Authors:Schuller, M, Ariza, A.
Deposit date:2021-05-24
Release date:2021-06-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
7OMZ
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BU of 7omz by Molmil
Thermus sp. 2.9 DarT in complex with ADP-ribosylated ssDNA and nicotinamide
Descriptor: DNA (5'-D(*AP*TP*GP*TP*C)-3'), DarT domain-containing protein, NICOTINAMIDE, ...
Authors:Schuller, M, Ariza, A.
Deposit date:2021-05-24
Release date:2021-06-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
7ON0
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BU of 7on0 by Molmil
Thermus sp. 2.9 DarT in complex with ADP-ribosylated ssDNA
Descriptor: DNA (5'-D(*AP*TP*GP*TP*C)-3'), DarT domain-containing protein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Schuller, M, Ariza, A.
Deposit date:2021-05-24
Release date:2021-06-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021

238582

数据于2025-07-09公开中

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