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5G2T
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BU of 5g2t by Molmil
BT1596 in complex with its substrate 4,5 unsaturated uronic acid alpha 1,4 D-Glucosamine-2-N, 6-O-disulfate
Descriptor: 1,2-ETHANEDIOL, 2-O GLYCOSAMINOGLYCAN SULFATASE, 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid, ...
Authors:Cartmell, A, Lowe, E.C, Basle, A, Crouch, L.I, Czjzek, M, Turnbull, J, Henrissat, B, Terrapon, N, Thomas, S, Murray, H, Firbank, S.J, Bolam, D.N.
Deposit date:2016-04-13
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:How members of the human gut microbiota overcome the sulfation problem posed by glycosaminoglycans.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3TAF
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BU of 3taf by Molmil
5-fluorocytosine paired with ddGMP in RB69 gp43
Descriptor: DNA (5'-D(*CP*CP*(C37)P*GP*GP*TP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*AP*CP*CP*G)-3'), DNA-directed DNA polymerase, ...
Authors:Zahn, K.E.
Deposit date:2011-08-04
Release date:2011-11-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:The miscoding potential of 5-hydroxycytosine arises due to template instability in the replicative polymerase active site.
Biochemistry, 50, 2011
7QEL
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BU of 7qel by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011247
Descriptor: (2~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide, N-glycosylase/DNA lyase, NICKEL (II) ION
Authors:Davies, J.R, Scaletti, E.R, Stenmark, P.
Deposit date:2021-12-03
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011247
To Be Published
4LE6
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BU of 4le6 by Molmil
Crystal structure of the phosphotriesterase OPHC2 from Pseudomonas pseudoalcaligenes
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Organophosphorus hydrolase, ...
Authors:Gotthard, G, Hiblot, J, Chabriere, E, Elias, M.
Deposit date:2013-06-25
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Enzymatic Characterization of the Phosphotriesterase OPHC2 from Pseudomonas pseudoalcaligenes.
Plos One, 8, 2013
4LF6
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BU of 4lf6 by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
Descriptor: 16S rRNA, MAGNESIUM ION, NEOMYCIN, ...
Authors:Demirci, H, Belardinelli, R, Carr, J, Murphy IV, F, Jogl, G, Dahlberg, A.E, Gregory, S.T.
Deposit date:2013-06-26
Release date:2014-07-02
Method:X-RAY DIFFRACTION (3.3052 Å)
Cite:Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
To be Published, 2013
2W05
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BU of 2w05 by Molmil
Structure of CDK2 in complex with an imidazolyl pyrimidine, compound 5b
Descriptor: CELL DIVISION PROTEIN KINASE 2, N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE
Authors:Anderson, M, Andrews, D.M, Barker, A.J, Brassington, C.A, Breed, J, Byth, K.F, Culshaw, J.D, Finlay, M.R, Fisher, E, Green, C.P, Heaton, D.W, Nash, I.A, Newcombe, N.J, Oakes, S.E, Pauptit, R.A, Roberts, A, Stanway, J.J, Thomas, A.P, Tucker, J.A, Weir, H.M.
Deposit date:2008-08-08
Release date:2008-10-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Imidazoles: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
1L5Q
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BU of 1l5q by Molmil
Human liver glycogen phosphorylase a complexed with caffeine, N-Acetyl-beta-D-glucopyranosylamine, and CP-403700
Descriptor: CAFFEINE, Glycogen phosphorylase, liver form, ...
Authors:Ekstrom, J.L, Pauly, T.A, Carty, M.D, Soeller, W.C, Culp, J, Danley, D.E, Hoover, D.J, Treadway, J.L, Gibbs, E.M, Fletterick, R.J, Day, Y.S.N, Myszka, D.G, Rath, V.L.
Deposit date:2002-03-07
Release date:2002-12-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-activity analysis of the purine binding site of human liver glycogen phosphorylase.
Chem.Biol., 9, 2002
7QFI
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BU of 7qfi by Molmil
Crystal structure of S-layer protein SlpX from Lactobacillus acidophilus, domain I (aa 31-182)
Descriptor: CALCIUM ION, SlpX
Authors:Sagmeister, T, Damisch, E, Millan, C, Uson, I, Eder, M, Pavkov-Keller, T.
Deposit date:2021-12-06
Release date:2022-12-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
5GNW
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BU of 5gnw by Molmil
Crystal structure of Uracil DNA glycosylase-Uracil complex from Bradyrhizobium diazoefficiens.
Descriptor: Blr0248 protein, URACIL
Authors:Patil, V.V, Chembazhi, U.V, Varshney, U, Woo, E.
Deposit date:2016-07-25
Release date:2017-06-14
Method:X-RAY DIFFRACTION (2.869 Å)
Cite:Uracil DNA glycosylase (UDG) activities in Bradyrhizobium diazoefficiens: characterization of a new class of UDG with broad substrate specificity
Nucleic Acids Res., 45, 2017
7C2E
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BU of 7c2e by Molmil
GLP-1R-Gs complex structure with a small molecule full agonist
Descriptor: 2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]-3,6-dihydro-2~{H}-pyridin-1-yl]methyl]-3-[[(2~{S})-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Ma, H, Yuan, D.P, Huang, W, Wenge, Z, Xu, E.
Deposit date:2020-05-07
Release date:2020-08-26
Last modified:2020-12-16
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural insights into the activation of GLP-1R by a small molecule agonist.
Cell Res., 30, 2020
1OGA
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BU of 1oga by Molmil
A structural basis for immunodominant human T-cell receptor recognition.
Descriptor: BETA-2-MICROGLOBULIN, GILGFVFTL, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
Authors:Stewart-Jones, G.B.E, McMichael, A.J, Bell, J.I, Stuart, D.I, Jones, E.Y.
Deposit date:2003-04-28
Release date:2003-06-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Structural Basis for Immunodominant Human T Cell Receptor Recognition
Nat.Immunol., 4, 2003
1OK4
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BU of 1ok4 by Molmil
Archaeal fructose 1,6-bisphosphate aldolase covalently bound to the substrate dihydroxyacetone phosphate
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS I
Authors:Lorentzen, E, Zwart, P, Stark, A, Hensel, R, Siebers, B, Pohl, E.
Deposit date:2003-07-17
Release date:2003-09-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of an archaeal class I aldolase and the evolution of (betaalpha)8 barrel proteins.
J. Biol. Chem., 278, 2003
1OK6
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BU of 1ok6 by Molmil
Orthorhombic crystal form of an Archaeal fructose 1,6-bisphosphate aldolase
Descriptor: FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS I, GLYCEROL
Authors:Lorentzen, E, Zwart, P, Stark, A, Hensel, R, Siebers, B, Pohl, E.
Deposit date:2003-07-18
Release date:2003-09-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of an archaeal class I aldolase and the evolution of (betaalpha)8 barrel proteins.
J. Biol. Chem., 278, 2003
8EA3
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BU of 8ea3 by Molmil
V-K CAST Transpososome from Scytonema hofmanni, major configuration
Descriptor: 30S ribosomal protein S15, ADENOSINE-5'-TRIPHOSPHATE, Cas12k, ...
Authors:Rizo, A.N, Park, J.-U, Tsai, A.W, Kellogg, E.H.
Deposit date:2022-08-27
Release date:2022-11-30
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structures of the holo CRISPR RNA-guided transposon integration complex.
Nature, 613, 2023
4LFB
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BU of 4lfb by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
Descriptor: 16S rRNA, MAGNESIUM ION, NEOMYCIN, ...
Authors:Demirci, H, Belardinelli, R, Carr, J, Murphy IV, F, Jogl, G, Dahlberg, A.E, Gregory, S.T.
Deposit date:2013-06-26
Release date:2014-07-02
Method:X-RAY DIFFRACTION (3.009 Å)
Cite:Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
to be published, 2013
4ISM
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BU of 4ism by Molmil
Crystal structure of ferritin from Pseudo-nitzschia multiseries soaked with zinc
Descriptor: Ferritin, ZINC ION
Authors:Pfaffen, S, Murphy, M.E.P.
Deposit date:2013-01-16
Release date:2013-03-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of ferrous iron binding and oxidation by ferritin from a pennate diatom.
J.Biol.Chem., 288, 2013
6TW0
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BU of 6tw0 by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with PSB12690 (an AOPCP derivative, compound 10 in publication) in the closed state
Descriptor: 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
Authors:Pippel, J, Strater, N.
Deposit date:2020-01-10
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
8EAL
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BU of 8eal by Molmil
SsoMCM hexamer bound to Mg/ADP-BeFx and DNA. Class 1. Merged particles from datasets with 3 different DNA entities
Descriptor: DNA, MAGNESIUM ION, Minichromosome maintenance protein MCM, ...
Authors:Meagher, M, Myasnikov, A, Enemark, E.J.
Deposit date:2022-08-29
Release date:2022-12-14
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.34 Å)
Cite:Two Distinct Modes of DNA Binding by an MCM Helicase Enable DNA Translocation.
Int J Mol Sci, 23, 2022
2VNZ
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BU of 2vnz by Molmil
Crystal structure of dithinonite reduced soybean ascorbate peroxidase mutant W41A.
Descriptor: ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION
Authors:Metcalfe, C.L, Badyal, S.K, Raven, E.L, Moody, P.C.E.
Deposit date:2008-02-08
Release date:2008-04-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Iron Oxidation State Modulates Active Site Structure in a Heme Peroxidase.
Biochemistry, 47, 2008
5UIC
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BU of 5uic by Molmil
Structure of the Francisella response regulator receiver domain, QseB
Descriptor: Two-component response regulator
Authors:Allen, C.L, Milton, M.E, Cavanagh, J.
Deposit date:2017-01-13
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.487 Å)
Cite:Structure of the Francisella response regulator QseB receiver domain, and characterization of QseB inhibition by antibiofilm 2-aminoimidazole-based compounds.
Mol. Microbiol., 106, 2017
6ENA
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BU of 6ena by Molmil
Nemertide alpha-1
Descriptor: Nemertide alpha-1
Authors:Jacobsson, E, Rosengren, K.J, Goransson, U.
Deposit date:2017-10-04
Release date:2018-03-14
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Lineus longissimus, the longest animal on earth, expresses peptide toxins targeting voltage gated sodium channels
Sci Rep, 2018
6U9W
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BU of 6u9w by Molmil
Cryo electron microscopy structure of the ATP-gated rat P2X7 ion channel in the ATP-bound, open state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Mansoor, S.E, McCarthy, A.E.
Deposit date:2019-09-09
Release date:2019-10-23
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Full-Length P2X7Structures Reveal How Palmitoylation Prevents Channel Desensitization.
Cell, 179, 2019
4IUA
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BU of 4iua by Molmil
Crystal Structure of the NK2 Fragment (31-290) of the mouse Hepatocyte Growth Factor/Scatter Factor
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hepatocyte growth factor, SULFATE ION
Authors:Tolbert, W.D, Zhou, E, Kovach, A, Melcher, K, Xu, H.E.
Deposit date:2013-01-20
Release date:2013-02-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Crystal Structure of the NK2 Fragment of the mouse Hepatocyte Growth Factor/Scatter Factor
To be Published
6EA7
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BU of 6ea7 by Molmil
Structure of EBOV GPcl in complex with the pan-ebolavirus mAb ADI-15878
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:West, B.R, Moyer, C.L, King, L.B, Fusco, M.L, Milligan, J.C, Hui, S, Saphire, E.O.
Deposit date:2018-08-02
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4.25 Å)
Cite:Structural Basis of Pan-Ebolavirus Neutralization by a Human Antibody against a Conserved, yet Cryptic Epitope.
MBio, 9, 2018
8EAI
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BU of 8eai by Molmil
SsoMCM hexamer bound to Mg/ADP-BeFx and 16-mer oligo-dT. Class 2
Descriptor: 16-mer oligo-dT, MAGNESIUM ION, Minichromosome maintenance protein MCM, ...
Authors:Meagher, M, Myasnikov, A, Enemark, E.J.
Deposit date:2022-08-29
Release date:2022-12-14
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Two Distinct Modes of DNA Binding by an MCM Helicase Enable DNA Translocation.
Int J Mol Sci, 23, 2022

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