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8B0X
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Translating 70S ribosome in the unrotated state (P and E, tRNAs)
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Fromm, S.A, O'Connor, K.M, Purdy, M, Bhatt, P.R, Loughran, G, Atkins, J.F, Jomaa, A, Mattei, S.
登録日2022-09-08
公開日2022-11-30
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (1.55 Å)
主引用文献The translating bacterial ribosome at 1.55 angstrom resolution generated by cryo-EM imaging services.
Nat Commun, 14, 2023
6R06
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BU of 6r06 by Molmil
T. CRUZI FPPS IN COMPLEX WITH (3S,4S)-4-(3,4-dimethylphenoxy)-1-(prop-2-yn-1-yl)piperidin-3-ol
分子名称: (3~{S},4~{S})-4-(3,4-dimethylphenoxy)-1-prop-2-ynyl-piperidin-3-ol, ACETATE ION, Farnesyl diphosphate synthase, ...
著者Petrick, J.K, Muenzker, L, Schleberger, C, Wolfgang, J.
登録日2019-03-12
公開日2020-04-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.559 Å)
主引用文献Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Thesis, 2019
7U34
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BU of 7u34 by Molmil
The structure of phosphoglucose isomerase from Aspergillus fumigatus
分子名称: CHLORIDE ION, CITRATE ANION, GLYCEROL, ...
著者Yan, K, Kowalski, B, Fang, W, van Aalten, D.
登録日2022-02-25
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Phosphoglucose Isomerase Is Important for Aspergillus fumigatus Cell Wall Biogenesis.
Mbio, 13, 2022
5R8L
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BU of 5r8l by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1891773393 in complex with INTERLEUKIN-1 BETA
分子名称: Interleukin-1 beta, N-{4-[(1S)-1-aminoethyl]phenyl}cyclopropanecarboxamide, SULFATE ION
著者De Nicola, G.F, Nichols, C.E.
登録日2020-03-03
公開日2020-04-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献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
6R05
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T. CRUZI FPPS IN COMPLEX WITH N-BENZYL-6-METHYLPYRIDIN-2-AMINE
分子名称: 6-methyl-~{N}-(phenylmethyl)pyridin-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W.
登録日2019-03-12
公開日2020-04-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Thesis, 2019
6R07
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BU of 6r07 by Molmil
T. cruzi FPPS in complex with 2-(5-chlorobenzo[b]thiophen-3-yl)acetic acid
分子名称: (5-chloro-1-benzothiophen-3-yl)acetic acid, DIMETHYL SULFOXIDE, Farnesyl diphosphate synthase, ...
著者Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W.
登録日2019-03-12
公開日2020-04-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Thesis, 2019
2O2C
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BU of 2o2c by Molmil
Crystal structure of phosphoglucose isomerase from T. brucei containing glucose-6-phosphate in the active site
分子名称: GLUCOSE-6-PHOSPHATE, GLYCEROL, Glucose-6-phosphate isomerase, ...
著者Arsenieva, D, Mazock, G.H, Appavu, B.L, Jeffery, C.J.
登録日2006-11-29
公開日2007-11-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structure of phosphoglucose isomerase from Trypanosoma brucei complexed with glucose-6-phosphate at 1.6 A resolution
Proteins, 74, 2008
5QQB
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PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000676a
分子名称: 8-fluoranyl-5-methyl-1,2,3,6-tetrahydro-1,5-benzodiazocin-4-one, ACETATE ION, Farnesyl diphosphate synthase, ...
著者Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W.
登録日2019-03-12
公開日2020-04-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QPG
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BU of 5qpg by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000291a
分子名称: 3-(azepan-1-ylmethyl)-1~{H}-indole, ACETATE ION, Farnesyl diphosphate synthase, ...
著者Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W.
登録日2019-03-12
公開日2020-04-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
2WRY
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BU of 2wry by Molmil
Crystal structure of chicken cytokine interleukin 1 beta
分子名称: INTERLEUKIN-1BETA
著者Lu, W.S, Cheng, C.S, Lyu, P.C, Lee, L.H, Wang, W.C, Yin, H.S.
登録日2009-09-03
公開日2010-09-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural and Functional Comparison of Cytokine Interleukin-1 Beta from Chicken and Human.
Mol.Immunol., 48, 2011
5QQ4
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BU of 5qq4 by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000276a
分子名称: 1-[4-(trifluoromethyloxy)phenyl]thiourea, ACETATE ION, Farnesyl diphosphate synthase, ...
著者Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W.
登録日2019-04-04
公開日2020-04-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
4QPF
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BU of 4qpf by Molmil
New lower bone affinity bisphosphonate drug design for effective use in diseases characterized by abnormal bone resorption
分子名称: Farnesyl pyrophosphate synthase, MAGNESIUM ION, [1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
著者Ebetino, F.H, Lundy, M, Kwaasi, A.A, Dunford, J.E, Duan, Z, Triffitt, J, Mazur, A, Jeans, G, Barnett, B.L, Russell, R.G.G.
登録日2014-06-23
公開日2015-06-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献New lower bone affinity bisphosphonate drug design for effective use in diseases characterized by abnormal bone resorption
To be Published
6SF9
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Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment j71
分子名称: CAFFEINE, Farnesyl diphosphate synthase, SULFATE ION
著者Magari, F, Heine, A, Klebe, G.
登録日2019-08-01
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment j71
To Be Published
1VHN
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BU of 1vhn by Molmil
Crystal structure of a putative flavin oxidoreductase with flavin
分子名称: FLAVIN MONONUCLEOTIDE, SULFATE ION, putative flavin oxidoreductase
著者Structural GenomiX
登録日2003-12-01
公開日2003-12-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献The 1.59 A resolution crystal structure of TM0096, a flavin mononucleotide binding protein from Thermotoga maritima.
Proteins, 55, 2004
6ZBR
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BU of 6zbr by Molmil
VEGF-A 13:107 crystallized with 4C bicyclic peptide
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Chains: P, PHOSPHATE ION, ...
著者Gaucher, J.-F, Broussy, S, Reille-Seroussi, M.
登録日2020-06-09
公開日2021-06-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and ITC Characterization of Peptide-Protein Binding: Thermodynamic Consequences of Cyclization Constraints, a Case Study on Vascular Endothelial Growth Factor Ligands.
Chemistry, 2022
6ZFL
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BU of 6zfl by Molmil
High resolution structure of VEGF-A 12:107 crystallized in tetragonal form
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, Vascular endothelial growth factor A
著者Gaucher, J.-F, Broussy, S, Reille-Seroussi, M.
登録日2020-06-17
公開日2021-06-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and ITC Characterization of Peptide-Protein Binding: Thermodynamic Consequences of Cyclization Constraints, a Case Study on Vascular Endothelial Growth Factor Ligands.
Chemistry, 2022
7ONF
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BU of 7onf by Molmil
The binding of p-coumaroyl glucose to glycogen phosphorylase reveals the relationship between structural data and effects on cell metabolome
分子名称: Glycogen phosphorylase, muscle form, INOSINIC ACID, ...
著者Tsagkarakou, A.S, Koulas, S.M, Kyriakis, E, Drakou, C.E, Leonidas, D.D.
登録日2021-05-25
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure activity relationship of the binding of p-coumaroyl glucose to glycogen phosphorylase and its effect on hepatic cell metabolic pathways
Eur J Med Chem Rep, 3, 2021
4GLN
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BU of 4gln by Molmil
Crystal Structure of Chemically Synthesized Heterochiral {D-Protein Antagonist plus VEGF-A} Protein Complex in space group P21/n
分子名称: D-RFX001, Vascular endothelial growth factor A
著者Mandal, K, Uppalapati, M, Ault-Riche, D, Kenney, J, Lowitz, J, Sidhu, S, Kent, S.B.H.
登録日2012-08-14
公開日2012-09-05
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Chemical synthesis and X-ray structure of a heterochiral {D-protein antagonist plus vascular endothelial growth factor} protein complex by racemic crystallography.
Proc.Natl.Acad.Sci.USA, 109, 2012
8A7A
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BU of 8a7a by Molmil
PcIDS1 in complex with Mg2+ and 3-Br-GPP
分子名称: Isoprenyl diphosphate synthase, MAGNESIUM ION, [(2Z)-3-bromanyl-7-methyl-octa-2,6-dienyl] phosphono hydrogen phosphate
著者Ecker, F, Boland, W, Groll, M.
登録日2022-06-20
公開日2023-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
8A73
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PcIDS1 in complex with Mn2+ and GPP
分子名称: GERANYL DIPHOSPHATE, Isoprenyl diphosphate synthase, MAGNESIUM ION, ...
著者Ecker, F, Boland, W, Groll, M.
登録日2022-06-20
公開日2023-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
8A78
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BU of 8a78 by Molmil
PcIDS1_F315A in complex with Mg2+/Mn2+ and GPP
分子名称: GERANYL DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ...
著者Ecker, F, Boland, W, Groll, M.
登録日2022-06-20
公開日2023-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
1U0F
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BU of 1u0f by Molmil
Crystal structure of mouse phosphoglucose isomerase in complex with glucose 6-phosphate
分子名称: 6-O-phosphono-alpha-D-glucopyranose, BETA-MERCAPTOETHANOL, GLUCOSE-6-PHOSPHATE, ...
著者Solomons, J.T.G, Zimmerly, E.M, Burns, S, Krishnamurthy, N, Swan, M.K, Krings, S, Muirhead, H, Chirgwin, J, Davies, C.
登録日2004-07-13
公開日2004-11-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The crystal structure of mouse phosphoglucose isomerase at 1.6A resolution and its complex with glucose 6-phosphate reveals the catalytic mechanism of sugar ring opening.
J.Mol.Biol., 342, 2004
1U0E
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BU of 1u0e by Molmil
Crystal structure of mouse phosphoglucose isomerase
分子名称: BETA-MERCAPTOETHANOL, GLYCEROL, Glucose-6-phosphate isomerase, ...
著者Solomons, J.T.G, Zimmerly, E.M, Burns, S, Krishnamurthy, N, Swan, M.K, Krings, S, Muirhead, H, Chirgwin, J, Davies, C.
登録日2004-07-13
公開日2004-11-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The crystal structure of mouse phosphoglucose isomerase at 1.6A resolution and its complex with glucose 6-phosphate reveals the catalytic mechanism of sugar ring opening.
J.Mol.Biol., 342, 2004
5QPV
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BU of 5qpv by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000416a
分子名称: (2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide, Farnesyl diphosphate synthase, SULFATE ION, ...
著者Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W.
登録日2019-03-12
公開日2020-04-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
6BZB
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BU of 6bzb by Molmil
Crystal Structure of Glucose-6-phosphate Isomerase from Elizabethkingia anophelis
分子名称: Glucose-6-phosphate isomerase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-12-22
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of Glucose-6-phosphate Isomerase from Elizabethkingia anophelis
to be published

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件を2024-07-10に公開中

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