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5QQ1
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BU of 5qq1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000699a
分子名称: 4-cyclopentylcarbonylpiperazin-2-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 (1.97 Å)
主引用文献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
分子名称: ACETATE ION, 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 (1.61 Å)
主引用文献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
分子名称: 5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol, 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 (1.67 Å)
主引用文献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
分子名称: 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide, 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 (1.46 Å)
主引用文献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
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
5QPO
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BU of 5qpo by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000574a
分子名称: 1-[(4-fluorophenyl)methyl]benzimidazole, 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 (1.6 Å)
主引用文献PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
6QEJ
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BU of 6qej by Molmil
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR Thiophene-2-sulfonic acid (4-fluoro-benzyl)-(4H-[1,2,4]triazol-3-ylmethyl)-amide
分子名称: 1,2-ETHANEDIOL, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
著者Musil, D, Heinrich, T, Lehmann, M.
登録日2019-01-07
公開日2019-05-01
最終更新日2019-06-05
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (MetAP-2) Inhibitors.
J.Med.Chem., 62, 2019
5QPZ
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BU of 5qpz by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000524a
分子名称: 1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea, 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 (1.62 Å)
主引用文献PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
6KAP
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BU of 6kap by Molmil
Carbonmonoxy human hemoglobin C in the R quaternary structure at 95 K: Light
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A.
登録日2019-06-23
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KAT
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BU of 6kat by Molmil
Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 95 K: Light
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A.
登録日2019-06-24
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
5QPE
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BU of 5qpe by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000295a
分子名称: ACETATE ION, 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 (1.77 Å)
主引用文献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
分子名称: 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide, 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 (1.67 Å)
主引用文献PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
1X9H
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BU of 1x9h by Molmil
Crystal structure of phosphoglucose/phosphomannose isomerase from Pyrobaculum aerophilum in complex with fructose 6-phosphate
分子名称: FRUCTOSE -6-PHOSPHATE, GLYCEROL, SULFATE ION, ...
著者Swan, M.K, Hansen, T, Schoenheit, P, Davies, C.
登録日2004-08-21
公開日2004-12-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis for phosphomannose isomerase activity in phosphoglucose isomerase from Pyrobaculum aerophilum: a subtle difference between distantly related enzymes.
Biochemistry, 43, 2004
5QPR
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BU of 5qpr by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with XST00001145b
分子名称: 1-phenylmethoxyurea, 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 (1.67 Å)
主引用文献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
分子名称: 1-methyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, 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 (1.68 Å)
主引用文献PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
6KAI
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BU of 6kai by Molmil
Crosslinked alpha(Ni)-beta(Fe) human hemoglobin A in the T quaternary structure at 95 K: Light
分子名称: BUT-2-ENEDIAL, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
著者Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A.
登録日2019-06-23
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KAS
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BU of 6kas by Molmil
Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 95 K: Dark
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A.
登録日2019-06-24
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
5QPQ
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BU of 5qpq by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000631a
分子名称: ACETATE ION, 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 (1.49 Å)
主引用文献PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QQ8
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BU of 5qq8 by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000563a
分子名称: 3-ethyl-1-[(1~{R},8~{S},9~{S},10~{S})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione, 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 (1.62 Å)
主引用文献PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
6QI4
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BU of 6qi4 by Molmil
NCS-1 bound to a ligand
分子名称: 2-(1~{H}-indol-3-yl)-~{N}-[(~{E})-(4-nitro-3-oxidanyl-phenyl)methylideneamino]ethanamide, ACETATE ION, CALCIUM ION, ...
著者Sanchez-Barrena, M.J, Blanco-Gabella, P.
登録日2019-01-17
公開日2019-07-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Insights into real-time chemical processes in a calcium sensor protein-directed dynamic library.
Nat Commun, 10, 2019
5QPL
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BU of 5qpl by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000464a
分子名称: ACETATE ION, Farnesyl diphosphate synthase, N-[(2S)-2-hydroxypropyl]-N'-phenylurea, ...
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 (1.41 Å)
主引用文献PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5U8M
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BU of 5u8m by Molmil
A novel family of redox sensors in the streptococci evolved from two-component response regulators
分子名称: Response regulator
著者Han, L, Silvaggi, N.R.
登録日2016-12-14
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.105 Å)
主引用文献RitR is an archetype for a novel family of redox sensors in the streptococci that has evolved from two-component response regulators and is required for pneumococcal colonization.
PLoS Pathog., 14, 2018
1S4P
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BU of 1s4p by Molmil
Crystal structure of yeast alpha1,2-mannosyltransferase Kre2p/Mnt1p: ternary complex with GDP/Mn and methyl-alpha-mannoside acceptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Lobsanov, Y.D, Romero, P.A, Sleno, B, Yu, B, Yip, P, Herscovics, A, Howell, P.L.
登録日2004-01-16
公開日2004-05-04
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structure of Kre2p/Mnt1p: A YEAST {alpha}1,2-MANNOSYLTRANSFERASE INVOLVED IN MANNOPROTEIN BIOSYNTHESIS
J.Biol.Chem., 279, 2004
1C75
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BU of 1c75 by Molmil
0.97 A "AB INITIO" CRYSTAL STRUCTURE OF CYTOCHROME C-553 FROM BACILLUS PASTEURII
分子名称: CYTOCHROME C-553, HEME C
著者Benini, S, Ciurli, S, Rypniewski, W.R, Wilson, K.S.
登録日2000-02-09
公開日2000-03-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Crystal structure of oxidized Bacillus pasteurii cytochrome c553 at 0.97-A resolution.
Biochemistry, 39, 2000
3A22
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BU of 3a22 by Molmil
Crystal Structure of beta-L-Arabinopyranosidase complexed with L-arabinose
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
著者Fujimoto, Z, Ichinose, H, Kaneko, S.
登録日2009-04-27
公開日2009-07-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A beta-l-Arabinopyranosidase from Streptomyces avermitilis is a novel member of glycoside hydrolase family 27.
J.Biol.Chem., 284, 2009

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件を2024-08-07に公開中

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