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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
5QQB
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BU of 5qqb by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000676a
Descriptor: 8-fluoranyl-5-methyl-1,2,3,6-tetrahydro-1,5-benzodiazocin-4-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 (1.58 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QPD
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BU of 5qpd by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000293a
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 (1.93 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
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
5QT8
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BU of 5qt8 by Molmil
T. brucei FPPS in complex with CAS 34105-16-3
Descriptor: (2R)-1-[(4-chlorophenyl)(methyl)amino]-3-(1H-imidazol-1-yl)propan-2-ol, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W.
Deposit date:2019-08-07
Release date:2020-10-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:T. brucei FPPS in complex with CAS 34105-16-3
To Be Published
5QPN
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BU of 5qpn by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000576a
Descriptor: 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole, 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 (1.45 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QQ0
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BU of 5qq0 by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with XST00000046b
Descriptor: 2-morpholin-4-ylaniline, 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 (1.6 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QQ6
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BU of 5qq6 by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000530a
Descriptor: (3~{a}~{S},8~{a}~{S})-6-(phenylcarbonyl)-2,3,3~{a},7,8,8~{a}-hexahydropyrrolo[3,4-d]azepin-1-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 (1.94 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QPP
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BU of 5qpp by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000512a
Descriptor: 1-[2-(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 (1.48 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QQ2
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BU of 5qq2 by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000693a
Descriptor: (2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol, 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 (1.73 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QQ9
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BU of 5qq9 by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000567a
Descriptor: 2-[(2R,5R,6S)-5-hydroxy-1,2,4,5,6,7-hexahydro-3H-2,6-methanoazocino[5,4-b]indol-3-yl]acetamide, 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 (1.61 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QPH
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BU of 5qph by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000315a
Descriptor: 4-(4-ethylcyclohexyl)morpholine, 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 (1.86 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QPU
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BU of 5qpu by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000733a
Descriptor: ACETATE ION, Farnesyl diphosphate synthase, N-[(4-phenyloxan-4-yl)methyl]acetamide, ...
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 (1.44 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QTC
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BU of 5qtc by Molmil
Unliganded T. brucei FPPS
Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase
Authors:Muenzker, L, Petrick, J.P, Schleberger, C, Jahnke, W.
Deposit date:2019-08-07
Release date:2020-10-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.645 Å)
Cite:Unliganded T. brucei FPPS
To Be Published
5QPS
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BU of 5qps by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000644a
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 (1.61 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QQ3
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BU of 5qq3 by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000672a
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 (1.6 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QQA
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BU of 5qqa by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000648a
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 (2.2 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QPK
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BU of 5qpk by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000586a
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 (1.5 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QQC
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BU of 5qqc by Molmil
Crystal Structure of T. cruzi FPPS after initial refinement with no ligand modelled (structure $n)
Descriptor: ACETATE ION, Farnesyl diphosphate synthase, MAGNESIUM 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:2019-03-14
Release date:2020-04-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:PanDDA analysis group deposition of ground-state model - FPPS screened against the DSI Fragment Library
To Be Published
5QPF
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BU of 5qpf by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000478a
Descriptor: 2-(4-methylpiperazin-1-yl)-1,3-benzothiazole, 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 (1.5 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
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
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
5QPJ
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BU of 5qpj by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000465a
Descriptor: 2-methoxy-N-[(1R)-1-phenylethyl]acetamide, 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 (1.41 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QQ1
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BU of 5qq1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000699a
Descriptor: 4-cyclopentylcarbonylpiperazin-2-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 (1.97 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QQ7
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BU of 5qq7 by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000562a
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 (1.61 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published

223532

건을2024-08-07부터공개중

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