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3M5P
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BU of 3m5p by Molmil
Glucose-6-phosphate isomerase from Francisella tularensis complexed with fructose-6-phosphate.
Descriptor: 6-O-phosphono-beta-D-fructofuranose, GLYCEROL, Glucose-6-phosphate isomerase, ...
Authors:Osipiuk, J, Maltseva, N, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-03-12
Release date:2010-03-23
Last modified:2021-10-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:X-ray crystal structure of glucose-6-phosphate isomerase from Francisella tularensis complexed with fructose-6-phosphate.
To be Published
8A6U
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BU of 8a6u by Molmil
PcIDS1 in complex with Mg2+
Descriptor: Isoprenyl diphosphate synthase, MAGNESIUM ION
Authors:Ecker, F, Boland, W, Groll, M.
Deposit date:2022-06-20
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
8A7B
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BU of 8a7b by Molmil
PcIDS1_D319N in complex with Mg2+ and 3-Br-GPP
Descriptor: CARBONATE ION, GLYCEROL, Isoprenyl diphosphate synthase, ...
Authors:Ecker, F, Boland, W, Groll, M.
Deposit date:2022-06-20
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
3FF1
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BU of 3ff1 by Molmil
Structure of Glucose 6-phosphate Isomerase from Staphylococcus aureus
Descriptor: GLUCOSE-6-PHOSPHATE, Glucose-6-phosphate isomerase, SODIUM ION
Authors:Anderson, S.M, Brunzelle, J.S, Onopriyenko, O, Peterson, S, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2008-12-01
Release date:2009-02-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of Glucose 6-phosphate Isomerase from Staphylococcus aureus
TO BE PUBLISHED
4DHD
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BU of 4dhd by Molmil
Crystal structure of isoprenoid synthase A3MSH1 (TARGET EFI-501992) from Pyrobaculum calidifontis
Descriptor: ACETATE ION, CHLORIDE ION, PHOSPHATE ION, ...
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-01-27
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
4BFA
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BU of 4bfa by Molmil
Crystal structure of E. coli dihydrouridine synthase C (DusC)
Descriptor: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, NITRATE ION, ...
Authors:Byrne, R.T, Whelan, F, Konevega, A, Aziz, N, Rodnina, M, Antson, A.A.
Deposit date:2013-03-16
Release date:2013-11-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Major Reorientation of tRNA Substrates Defines Specificity of Dihydrouridine Synthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
5R89
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BU of 5r89 by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z217038356 in complex with INTERLEUKIN-1 BETA
Descriptor: 1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone, Interleukin-1 beta, SULFATE ION
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-03
Release date:2020-04-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
8CGV
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BU of 8cgv by Molmil
Tiamulin bound to the 50S subunit
Descriptor: 23S rRNA, 50S ribosomal protein L15, 50S ribosomal protein L25, ...
Authors:Paternoga, H, Crowe-McAuliffe, C, Novacek, J, Wilson, D.N.
Deposit date:2023-02-06
Release date:2023-08-02
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (1.66 Å)
Cite:Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
3O1W
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BU of 3o1w by Molmil
Crystal structure of dimeric KlHxk1 in crystal form III
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Hexokinase, ...
Authors:Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N.
Deposit date:2010-07-22
Release date:2010-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION.
J.Biol.Chem., 285, 2010
6R36
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BU of 6r36 by Molmil
T. brucei farnesyl pyrophosphate synthase (FPPS)
Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase
Authors:Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W.
Deposit date:2019-03-19
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Fragment-Based Discovery of Non-bisphosphonate Binders of Trypanosoma brucei Farnesyl Pyrophosphate Synthase.
Chembiochem, 21, 2020
8GLP
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BU of 8glp by Molmil
mRNA decoding in human is kinetically and structurally distinct from bacteria (Consensus LSU focused refined structure)
Descriptor: 1,4-DIAMINOBUTANE, 18S rRNA, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Watson, Z.L, Altman, R.B, Blanchard, S.C.
Deposit date:2023-03-22
Release date:2023-04-19
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (1.67 Å)
Cite:mRNA decoding in human is kinetically and structurally distinct from bacteria.
Nature, 617, 2023
3NJ5
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BU of 3nj5 by Molmil
Crystal structure of chicken IL-1 hydrophobic cavity mutant 157
Descriptor: IL-1 beta
Authors:Yin, H.S, Chen, Y.W.
Deposit date:2010-06-17
Release date:2011-06-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural and functional comparison of cytokine interleukin-1 beta from chicken and human
Mol.Immunol., 48, 2011
8A3D
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BU of 8a3d by Molmil
Human mature large subunit of the ribosome with eIF6 and homoharringtonine bound
Descriptor: (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine, 28S ribosomal RNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Faille, A, Warren, A.J, Dent, K.C.
Deposit date:2022-06-08
Release date:2023-03-08
Last modified:2023-03-22
Method:ELECTRON MICROSCOPY (1.67 Å)
Cite:The chemical landscape of the human ribosome at 1.67 angstrom resolution.
Biorxiv, 2023
7NTG
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BU of 7ntg by Molmil
Bdellovibrio bacteriovorus PGI in complex with fructose-6-phosphate
Descriptor: 1,2-ETHANEDIOL, FRUCTOSE -6-PHOSPHATE, Glucose-6-phosphate isomerase
Authors:Meek, R.W, Lovering, A.L.
Deposit date:2021-03-09
Release date:2021-08-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Bdellovibrio bacteriovorus phosphoglucose isomerase structures reveal novel rigidity in the active site of a selected subset of enzymes upon substrate binding.
Open Biology, 11, 2021
5QPX
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BU of 5qpx by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000534a
Descriptor: ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ...
Authors:Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W.
Deposit date:2019-03-12
Release date:2020-04-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QPI
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BU of 5qpi by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000554a
Descriptor: 5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol, ACETATE ION, Farnesyl diphosphate synthase, ...
Authors:Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W.
Deposit date:2019-03-12
Release date:2020-04-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QPY
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BU of 5qpy by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000449a
Descriptor: 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide, ACETATE ION, Farnesyl diphosphate synthase, ...
Authors:Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W.
Deposit date:2019-03-12
Release date:2020-04-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QPR
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BU of 5qpr by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with XST00001145b
Descriptor: 1-phenylmethoxyurea, ACETATE ION, Farnesyl diphosphate synthase, ...
Authors:Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W.
Deposit date:2019-03-12
Release date:2020-04-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
6SDO
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BU of 6sdo by Molmil
Trypanosoma cruzi farnesyl diphosphate synthase in complex with 3np
Descriptor: 3-nitrophenol, Farnesyl diphosphate synthase, SULFATE ION, ...
Authors:Magari, F, Heine, A, Klebe, G.
Deposit date:2019-07-29
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Trypanosoma cruzi farnesyl diphosphate synthase in complex with 3np
To Be Published
6SDQ
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BU of 6sdq by Molmil
Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment 2m5n
Descriptor: 2-methoxy-5-nitro-phenol, Farnesyl diphosphate synthase, SULFATE ION, ...
Authors:Magari, F, Heine, A, Klebe, G.
Deposit date:2019-07-29
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment 2m5n
To Be Published
5QPM
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BU of 5qpm by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000500a
Descriptor: 1-(4-fluorophenyl)-3-(3-hydroxyphenyl)urea, ACETATE ION, Farnesyl diphosphate synthase, ...
Authors:Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W.
Deposit date:2019-03-12
Release date:2020-04-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QQ5
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BU of 5qq5 by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with PKTTA024495b
Descriptor: 1-methyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ACETATE ION, Farnesyl diphosphate synthase, ...
Authors:Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W.
Deposit date:2019-03-12
Release date:2020-04-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
4BQE
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BU of 4bqe by Molmil
Arabidopsis thaliana Cytosolic Alpha-1,4-glucan Phosphorylase (PHS2)
Descriptor: ALPHA-GLUCAN PHOSPHORYLASE 2,4-GLUCAN PHOSPHORYLASE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:O'Neill, E.C, Rashid, A.M, Stevenson, C.E.M, Hetru, A.C, Gunning, A.P, Rejzek, M, Nepogodiev, S.A, Bornemann, S, Lawson, D.M, Field, R.A.
Deposit date:2013-05-30
Release date:2014-02-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Sugar-Coated Sensor Chip and Nanoparticle Surfaces for the in Vitro Enzymatic Synthesis of Starch-Like Materials
Chem.Sci., 5, 2014
4WK5
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BU of 4wk5 by Molmil
Crystal structure of a Isoprenoid Synthase family member from Thermotoga neapolitana DSM 4359, target EFI-509458
Descriptor: Geranyltranstransferase
Authors:Toro, R, Bhosle, R, Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Poulter, C.D, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-10-01
Release date:2014-11-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a Isoprenoid Synthase family member from Thermotoga neapolitana DSM 4359, target EFI-509458
To be published
4P0K
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BU of 4p0k by Molmil
Crystal Structure of Double Loop-Swapped Interleukin-36Ra
Descriptor: Interleukin-36 receptor antagonist/Interleukin-36 gamma chimera protein
Authors:Guenther, S, Sundberg, E.J.
Deposit date:2014-02-21
Release date:2014-06-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Determinants of Agonist and Antagonist Signaling through the IL-36 Receptor.
J Immunol., 193, 2014

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