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8EAE
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BU of 8eae by Molmil
Structure of Ternary Complex of cGAS with dsDNA and Bound 5-pppG(2,5)pI
Descriptor: Cyclic GMP-AMP synthase, MAGNESIUM ION, Palindromic DNA18, ...
Authors:Wu, S, Sohn, J.
Deposit date:2022-08-29
Release date:2023-10-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS.
Nat Commun, 15, 2024
4ED8
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BU of 4ed8 by Molmil
Human DNA polymerase eta - DNA ternary complex: Reaction in the TG crystal at pH 7.0, Normal translocation
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*CP*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*G)-3'), ...
Authors:Nakamura, T, Zhao, Y, Yang, W.
Deposit date:2012-03-27
Release date:2012-07-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.521 Å)
Cite:Watching DNA polymerase eta make a phosphodiester bond
Nature, 487, 2012
8VDB
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BU of 8vdb by Molmil
Crystal structure of Bacillus subtilis FabHB, beta-ketoacyl carrier protein synthase III
Descriptor: Beta-ketoacyl-[acyl-carrier-protein] synthase III 2, GLYCEROL
Authors:Radka, C.D, Rock, C.O.
Deposit date:2023-12-14
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of the fatty acid biosynthesis initiation enzymes in Bacillus subtilis.
J.Struct.Biol., 216, 2024
7VVE
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BU of 7vve by Molmil
Complex structure of a leaf-branch compost cutinase variant in complex with mono(2-hydroxyethyl) terephthalic acid
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, CALCIUM ION, ...
Authors:Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T.
Deposit date:2021-11-05
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
8UUA
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BU of 8uua by Molmil
Cryo-EM structure of the Listeria innocua 50S ribosomal subunit in complex with HflXr (structure III)
Descriptor: 23S Ribosomal RNA, 5S Ribosomal RNA, GTPase HflX, ...
Authors:Seely, S.M, Basu, R.S, Gagnon, M.G.
Deposit date:2023-10-31
Release date:2024-02-28
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Mechanistic insights into the alternative ribosome recycling by HflXr.
Nucleic Acids Res., 52, 2024
8UU6
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BU of 8uu6 by Molmil
Cryo-EM structure of the ratcheted Listeria innocua 70S ribosome in complex with p/E-tRNA (structure II-A)
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 5S Ribosomal RNA, ...
Authors:Seely, S.M, Basu, R.S, Gagnon, M.G.
Deposit date:2023-10-31
Release date:2024-02-28
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Mechanistic insights into the alternative ribosome recycling by HflXr.
Nucleic Acids Res., 52, 2024
6XKD
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BU of 6xkd by Molmil
Structure of ligand-bound mouse cGAMP hydrolase ENPP1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Fernandez, D, Li, L.
Deposit date:2020-06-26
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure-Aided Development of Small-Molecule Inhibitors of ENPP1, the Extracellular Phosphodiesterase of the Immunotransmitter cGAMP.
Cell Chem Biol, 27, 2020
4CM4
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BU of 4cm4 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, GLYCEROL, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
7DLS
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BU of 7dls by Molmil
Cytochrome P450 (CYP105D18) complex with papaverine
Descriptor: 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, Cytochrome P450 hydroxylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Do, H, Lee, J.H.
Deposit date:2020-11-30
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Characterization of high-H 2 O 2 -tolerant bacterial cytochrome P450 CYP105D18: insights into papaverine N-oxidation.
Iucrj, 8, 2021
7DI3
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BU of 7di3 by Molmil
Cytochrome P450 (CYP105D18) W.T.
Descriptor: Cytochrome P450 hydroxylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Do, H, Lee, J.H.
Deposit date:2020-11-18
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Characterization of high-H 2 O 2 -tolerant bacterial cytochrome P450 CYP105D18: insights into papaverine N-oxidation.
Iucrj, 8, 2021
4CL8
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BU of 4cl8 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 2,4-diamino-6-(3-formylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-13
Release date:2015-01-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CLO
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BU of 4clo by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 5-(phenylethynyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
7DBN
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BU of 7dbn by Molmil
HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/M184V/F160M:DNA:dCTP ternary complex
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ...
Authors:Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K.
Deposit date:2020-10-21
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Biochemical and Structural Properties of Entecavir-Resistant Hepatitis B Virus Polymerase with L180M/M204V Mutations.
J.Virol., 95, 2021
7DBM
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BU of 7dbm by Molmil
HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/M184V:DNA:dGTP ternary complex
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ...
Authors:Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K.
Deposit date:2020-10-21
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Biochemical and Structural Properties of Entecavir-Resistant Hepatitis B Virus Polymerase with L180M/M204V Mutations.
J.Virol., 95, 2021
6KWK
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BU of 6kwk by Molmil
Crystal structure of pSLA-1*0401 complex with FMDV-derived epitope MTAHITVPY
Descriptor: Beta-2-microglobulin, MHC class I antigen, peptide
Authors:Wei, X.H, Wang, S, Zhang, N.Z, Xia, C.
Deposit date:2019-09-07
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Peptidomes and Structures Illustrate Two Distinguishing Mechanisms of Alternating the Peptide Plasticity Caused by Swine MHC Class I Micropolymorphism.
Front Immunol, 12, 2021
4A85
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BU of 4a85 by Molmil
Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in complex with kinetin.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAJOR POLLEN ALLERGEN BET V 1-A, ...
Authors:Kofler, S, Brandstetter, H.
Deposit date:2011-11-18
Release date:2012-05-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1.
J.Mol.Biol., 422, 2012
4CM1
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BU of 4cm1 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 5-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
8F5V
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BU of 8f5v by Molmil
Crystal structure of Mycobacterium tuberculosis Mycothiol S-transferase enzyme in complex with mycothiol and Zn2+
Descriptor: Conserved protein, Mycothiol, ZINC ION
Authors:Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2022-11-15
Release date:2023-04-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Mycobacterium tuberculosis mycothiol S -transferase is divalent metal-dependent for mycothiol binding and transfer.
Rsc Med Chem, 14, 2023
4DF4
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BU of 4df4 by Molmil
Crystal structure of the large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with 7-(N-(10-hydroxydecanoyl)-aminopentinyl)-7-deaza-2 -dATP
Descriptor: 1,2-ETHANEDIOL, 7-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, DNA (5'-D(*AP*AP*AP*TP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ...
Authors:Bergen, K, Steck, A, Struett, S, Baccaro, A, Welte, W, Diederichs, K, Marx, A.
Deposit date:2012-01-23
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of KlenTaq DNA Polymerase Caught While Incorporating C5-Modified Pyrimidine and C7-Modified 7-Deazapurine Nucleoside Triphosphates.
J.Am.Chem.Soc., 134, 2012
7VVC
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BU of 7vvc by Molmil
Crystal structure of inactive mutant of leaf-branch compost cutinase variant
Descriptor: ACETATE ION, ACETIC ACID, CALCIUM ION, ...
Authors:Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T.
Deposit date:2021-11-05
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
8DRH
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BU of 8drh by Molmil
HIGH RESOLUTION NMR STRUCTURE OF THE D(GCGTCAGG)R(CCUGACGC) HYBRID, MINIMIZED AVERAGE STRUCTURE
Descriptor: DNA (5'-D(*GP*CP*GP*TP*CP*AP*GP*G)-3'), RNA (5'-R(*CP*CP*UP*GP*AP*CP*GP*C)-3')
Authors:Bachelin, M, Hessler, G, Kurz, G, Hacia, J.G, Dervan, P.B, Kessler, H.
Deposit date:1997-10-13
Release date:1998-05-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of a Stereoregular Phosphorothioate DNA/RNA Duplex
Nat.Struct.Biol., 5, 1998
4A8G
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BU of 4a8g by Molmil
Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in complex with dimethylbenzylammonium propane sulfonate
Descriptor: 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, MAJOR POLLEN ALLERGEN BET V 1-A, SULFATE ION
Authors:Kofler, S, Brandstetter, H.
Deposit date:2011-11-21
Release date:2012-05-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1.
J.Mol.Biol., 422, 2012
1VIB
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BU of 1vib by Molmil
NMR SOLUTION STRUCTURE OF THE NEUROTOXIN B-IV, 20 STRUCTURES
Descriptor: NEUROTOXIN B-IV
Authors:Barnham, K.J, Dyke, T.R, Kem, W.R, Norton, R.S.
Deposit date:1996-11-25
Release date:1997-05-15
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Structure of neurotoxin B-IV from the marine worm Cerebratulus lacteus: a helical hairpin cross-linked by disulphide bonding.
J.Mol.Biol., 268, 1997
7UJJ
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BU of 7ujj by Molmil
Stx2a and DARPin complex
Descriptor: 1,2-ETHANEDIOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, DARPin, ...
Authors:Jiang, M, Zhang, J.
Deposit date:2022-03-30
Release date:2023-04-12
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:A Multi-Specific DARPin Potently Neutralizes Shiga Toxin 2 via Simultaneous Modulation of Both Toxin Subunits.
Bioengineering (Basel), 9, 2022
4A88
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BU of 4a88 by Molmil
Crystal Structure of native Major Birch Pollen Allergen Bet v 1 isoform a
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, MAJOR POLLEN ALLERGEN BET V 1-A, SULFATE ION
Authors:Kofler, S, Brandstetter, H.
Deposit date:2011-11-18
Release date:2012-05-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1.
J.Mol.Biol., 422, 2012

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