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5QPW
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BU of 5qpw by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000632a
Descriptor: 1-methyl-5-(phenylamino)-1,2-dihydro-3H-pyrazol-3-one, 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 (1.72 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
3I4X
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BU of 3i4x by Molmil
Crystal structure of the dimethylallyl tryptophan synthase FgaPT2 from Aspergillus fumigatus in complex with Trp and DMSPP
Descriptor: DIMETHYLALLYL S-THIOLODIPHOSPHATE, GLYCEROL, TRYPTOPHAN, ...
Authors:Schall, C, Zocher, G, Stehle, T.
Deposit date:2009-07-03
Release date:2009-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of dimethylallyl tryptophan synthase reveals a common architecture of aromatic prenyltransferases in fungi and bacteria
Proc.Natl.Acad.Sci.USA, 106, 2009
7YJS
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BU of 7yjs by Molmil
Crystal structure of MCR-1-S treated by sodium aurothiosulfate
Descriptor: GOLD ION, Probable phosphatidylethanolamine transferase Mcr-1
Authors:Zhang, Q, Sun, H, Wang, M.
Deposit date:2022-07-20
Release date:2023-02-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Gold drugs as colistin adjuvants in the fight against MCR-1 producing bacteria.
J.Biol.Inorg.Chem., 28, 2023
7YJR
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BU of 7yjr by Molmil
Crystal structure of MCR-1-S treated by sodium aurothiomalate
Descriptor: GOLD ION, Probable phosphatidylethanolamine transferase Mcr-1
Authors:Zhang, Q, Sun, H, Wang, M.
Deposit date:2022-07-20
Release date:2023-02-01
Last modified:2023-03-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Gold drugs as colistin adjuvants in the fight against MCR-1 producing bacteria.
J.Biol.Inorg.Chem., 28, 2023
7YJQ
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BU of 7yjq by Molmil
Crystal structure of MCR-1-S treated by auranofin
Descriptor: GOLD ION, Probable phosphatidylethanolamine transferase Mcr-1
Authors:Zhang, Q, Sun, H, Wang, M.
Deposit date:2022-07-20
Release date:2023-02-01
Last modified:2023-03-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Gold drugs as colistin adjuvants in the fight against MCR-1 producing bacteria.
J.Biol.Inorg.Chem., 28, 2023
7YJT
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BU of 7yjt by Molmil
Crystal structure of MCR-1-S treated by aurothioglucose
Descriptor: GOLD ION, Probable phosphatidylethanolamine transferase Mcr-1
Authors:Zhang, Q, Sun, H, Wang, M.
Deposit date:2022-07-20
Release date:2023-02-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Gold drugs as colistin adjuvants in the fight against MCR-1 producing bacteria.
J.Biol.Inorg.Chem., 28, 2023
7Y7A
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BU of 7y7a by Molmil
In situ double-PBS-PSII-PSI-LHCs megacomplex from Porphyridium purpureum.
Descriptor: (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (2S)-2,3-dihydroxypropyl octadecanoate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:You, X, Zhang, X, Cheng, J, Xiao, Y.N, Sun, S, Sui, S.F.
Deposit date:2022-06-22
Release date:2023-02-08
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:In situ structure of the red algal phycobilisome-PSII-PSI-LHC megacomplex.
Nature, 616, 2023
3N1V
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BU of 3n1v by Molmil
Human FPPS COMPLEX WITH FBS_01
Descriptor: (5-chloro-3-methyl-1-benzothiophen-2-yl)acetic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION
Authors:Rondeau, J.-M.
Deposit date:2010-05-17
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
5QTD
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BU of 5qtd by Molmil
Unliganded T. brucei FPPS
Descriptor: Farnesyl pyrophosphate synthase, GLYCEROL, PHOSPHATE ION, ...
Authors:Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W.
Deposit date:2019-08-09
Release date:2020-10-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.642 Å)
Cite:Unliganded T. brucei FPPS
To Be Published
7YJP
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BU of 7yjp by Molmil
Crystal structure of MCR-1 treated by AuCl
Descriptor: GOLD ION, Probable phosphatidylethanolamine transferase Mcr-1
Authors:Zhang, Q, Wang, M, Sun, H.
Deposit date:2022-07-20
Release date:2023-02-01
Last modified:2023-03-15
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Gold drugs as colistin adjuvants in the fight against MCR-1 producing bacteria.
J.Biol.Inorg.Chem., 28, 2023
2VET
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BU of 2vet by Molmil
CRYSTAL STRUCTURE OF THE THYMIDYLATE SYNTHASE K48Q COMPLEXED WITH DUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Sotelo-Mundo, R.R, Arreola, R, Maley, F, Montfort, W.R.
Deposit date:2007-10-26
Release date:2007-12-04
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Role of an Invariant Lysine Residue in Folate Binding on Escherichia Coli Thymidylate Synthase: Calorimetric and Crystallographic Analysis of the K48Q Mutant.
Int.J.Biochem.Cell Biol., 40, 2008
2VG3
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BU of 2vg3 by Molmil
Rv2361 with citronellyl pyrophosphate
Descriptor: CHLORIDE ION, GERANYL DIPHOSPHATE, GLYCEROL, ...
Authors:Naismith, J.H, Wang, W, Dong, C.
Deposit date:2007-11-08
Release date:2008-05-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structural basis of chain length control in Rv1086.
J. Mol. Biol., 381, 2008
7Y5E
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BU of 7y5e by Molmil
In situ single-PBS-PSII-PSI-LHCs megacomplex.
Descriptor: (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (2S)-2,3-dihydroxypropyl octadecanoate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:You, X, Zhang, X, Cheng, J, Xiao, Y.N, Sui, S.F.
Deposit date:2022-06-17
Release date:2023-02-01
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:In situ structure of the red algal phycobilisome-PSII-PSI-LHC megacomplex.
Nature, 616, 2023
3N49
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BU of 3n49 by Molmil
Human FPPS COMPLEX WITH NOV_292
Descriptor: FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION, naphtho[2,1-b]thiophen-1-ylacetic acid
Authors:Rondeau, J.-M.
Deposit date:2010-05-21
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
7D41
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BU of 7d41 by Molmil
Crystal structure of type III polyketide synthase from Mycobacterium marinum - P 21 21 21 Space group
Descriptor: Chalcone synthase-like protein, Chalcone/stilbene synthase, OCTANOIC ACID (CAPRYLIC ACID)
Authors:Pratap, S, Kant, A, Saxena, P, Krishnan, V.
Deposit date:2020-09-21
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.419 Å)
Cite:crystal structure of type III polyketide synthase from Mycobacterium marinum
To Be Published
2VF6
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BU of 2vf6 by Molmil
Human FDPS synthase in complex with minodronate
Descriptor: (1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID), FARNESYL PYROPHOSPHATE SYNTHETASE, MAGNESIUM ION
Authors:Evdokimov, A.G, Barnett, B.L, Ebetino, F.H, Pokross, M.
Deposit date:2007-10-31
Release date:2007-11-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human Fdps Synthase in Complex with Novel Inhibitor
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
5QPT
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BU of 5qpt by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000642a
Descriptor: 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide, 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 (1.46 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QQ4
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BU of 5qq4 by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000276a
Descriptor: 1-[4-(trifluoromethyloxy)phenyl]thiourea, 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:2019-04-04
Release date:2020-04-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
7M0O
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BU of 7m0o by Molmil
DGT-28 EPSPS
Descriptor: 3-phosphoshikimate 1-carboxyvinyltransferase, PHOSPHATE ION, POTASSIUM ION
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2021-03-11
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Characterization of a Glyphosate-Tolerant Enzyme from Streptomyces svecius : A Distinct Class of 5-Enolpyruvylshikimate-3-phosphate Synthases.
J.Agric.Food Chem., 69, 2021
5KBX
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BU of 5kbx by Molmil
Co-crystal structure of the Saccharomyces cerevisiae histidine phosphotransfer signaling protein Ypd1 and the receiver domain of its downstream response regulator Ssk1
Descriptor: GLYCEROL, Osmolarity two-component system protein SSK1, PHOSPHATE ION, ...
Authors:Menon, S.K, West, A.H.
Deposit date:2016-06-03
Release date:2017-06-07
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Insights revealed by the co-crystal structure of the Saccharomyces cerevisiae histidine phosphotransfer signaling protein Ypd1 and the receiver domain of its downstream response regulator Ssk1
To Be Published
5KCQ
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BU of 5kcq by Molmil
Crystal structure of the aromatic prenyltransferase AtaPT from Aspergillus terreus A8-4 in complex with geranyl S-thiolodiphosphate
Descriptor: GERANYL S-THIOLODIPHOSPHATE, aromatic prenyltransferase
Authors:Sun, F, Gao, B.
Deposit date:2016-06-06
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular insights into the enzyme promiscuity of an aromatic prenyltransferase.
Nat. Chem. Biol., 13, 2017
5KDA
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BU of 5kda by Molmil
Crystal structure of the aromatic prenyltransferase AtaPT from Aspergillus terreus A8-4 in complex with dimethylallyl S-thiolodiphosphate and genistein
Descriptor: DIMETHYLALLYL S-THIOLODIPHOSPHATE, GENISTEIN, aromatic prenyltransferase
Authors:Sun, F, Gao, B.
Deposit date:2016-06-07
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular insights into the enzyme promiscuity of an aromatic prenyltransferase.
Nat. Chem. Biol., 13, 2017
2VB9
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BU of 2vb9 by Molmil
beta-ketoacyl-ACP synthase I (KAS) from E. coli, apo structure
Descriptor: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, CHLORIDE ION
Authors:Pappenberger, G, Schulz-Gasch, T, Bailly, J, Hennig, M.
Deposit date:2007-09-06
Release date:2007-12-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Assisted Discovery of an Aminothiazole Derivative as a Lead Molecule for Inhibition of Bacterial Fatty-Acid Synthesis.
Acta Crystallogr.,Sect.D, 63, 2007
2VG4
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BU of 2vg4 by Molmil
Rv2361 native
Descriptor: UNDECAPRENYL PYROPHOSPHATE SYNTHETASE
Authors:Naismith, J.H, Wang, W, Dong, C.
Deposit date:2007-11-08
Release date:2007-11-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structural basis of chain length control in Rv1086.
J. Mol. Biol., 381, 2008

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