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6R39
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T. brucei FPPS in complex with 1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid
分子名称: 1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid, Farnesyl pyrophosphate synthase
著者Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W.
登録日2019-03-19
公開日2020-04-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Thesis, 2019
6XI9
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X-ray crystal structure of MqnE from Pedobacter heparinus in complex with aminofutalosine and methionine
分子名称: 9-[7-(3-carboxyphenyl)-5,6-dideoxy-beta-D-ribo-heptodialdo-1,4-furanosyl]-9H-purin-6-amine, Aminodeoxyfutalosine synthase, CHLORIDE ION, ...
著者Grove, T.L, Bonanno, J.B, Almo, S.C.
登録日2020-06-19
公開日2020-07-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Narrow-Spectrum Antibiotic Targeting of the Radical SAM Enzyme MqnE in Menaquinone Biosynthesis.
Biochemistry, 59, 2020
5AFX
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T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-1238
分子名称: FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, [1-hydroxy-2-(1-nonyl-1H-3lambda~5~-imidazol-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
著者Yang, G, Oldfield, E, No, J.H.
登録日2015-01-27
公開日2015-10-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation.
Antimicrob.Agents Chemother., 59, 2015
6QYQ
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Crystal structure of human thymidylate synthase (hTS) variant R175C
分子名称: CHLORIDE ION, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SULFATE ION, ...
著者Pozzi, C, Mangani, M.
登録日2019-03-09
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural and Functional Characterization of the Human Thymidylate Synthase (hTS) Interface Variant R175C, New Perspectives for the Development of hTS Inhibitors.
Molecules, 24, 2019
8GMB
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Crystal structure of the full-length Bruton's tyrosine kinase (PH-TH domain not visible)
分子名称: 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, Tyrosine-protein kinase BTK
著者Lin, D.Y, Andreotti, A.H.
登録日2023-03-24
公開日2023-08-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Conformational heterogeneity of the BTK PHTH domain drives multiple regulatory states.
Elife, 12, 2024
6R06
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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
8GSK
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Crystal Structure of S302G single mutant of O-acetyl-L-serine sulfhydrylase from Haemophilus influenzae at 2.2 A
分子名称: Cysteine synthase
著者Kumar, N, Mahajan, A.S.
登録日2022-09-06
公開日2023-09-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.271 Å)
主引用文献S302G Crystal Structure of S302G single mutant of O-acetyl-L-serine sulfhydrylase from Haemophilus influenzae at 2.2 A
To Be Published
8E7Q
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Crystal Structure of FosB from Bacillus cereus with Zinc and 2-Phosphonopropionic acid
分子名称: (2S)-2-phosphonopropanoic acid, FORMIC ACID, MAGNESIUM ION, ...
著者Travis, S, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K.
登録日2022-08-24
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus.
Rsc Med Chem, 14, 2023
8E7R
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Crystal Structure of FosB from Bacillus cereus with Zinc and Phosphonoacetate
分子名称: FORMIC ACID, MAGNESIUM ION, Metallothiol transferase FosB, ...
著者Travis, S, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K.
登録日2022-08-24
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.975 Å)
主引用文献Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus.
Rsc Med Chem, 14, 2023
8GTH
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Crystal strucuture of cyt c551 from anoxygenic phototrophic bacterium Roseiflexus castenholzii
分子名称: Cytochrome c class I, HEME C
著者Min, Z.Z, Meng, H.L, Xu, X.L.
登録日2022-09-08
公開日2023-09-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A cytochrome c 551 mediates the cyclic electron transport chain of the anoxygenic phototrophic bacterium Roseiflexus castenholzii.
Plant Commun., 5, 2024
5D0N
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Crystal structure of maize PDRP bound with AMP
分子名称: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, Pyruvate, ...
著者Jiang, L, Chen, Z.
登録日2015-08-03
公開日2016-02-24
最終更新日2016-03-09
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural Basis of Reversible Phosphorylation by Maize Pyruvate Orthophosphate Dikinase Regulatory Protein
Plant Physiol., 170, 2016
1B3Q
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CRYSTAL STRUCTURE OF CHEA-289, A SIGNAL TRANSDUCING HISTIDINE KINASE
分子名称: MERCURY (II) ION, PROTEIN (CHEMOTAXIS PROTEIN CHEA)
著者Bilwes, A.M, Alex, L.A, Crane, B.R, Simon, M.I.
登録日1998-12-14
公開日1999-12-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of CheA, a signal-transducing histidine kinase.
Cell(Cambridge,Mass.), 96, 1999
6Y2I
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Crystal structure of M. tuberculosis KasA in complex with N-(1H-indazol-5-yl)butane-1-sulfonamide
分子名称: 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase 1, SODIUM ION, ...
著者Chung, C.
登録日2020-02-16
公開日2020-04-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.533 Å)
主引用文献Exploring the SAR of the beta-Ketoacyl-ACP Synthase Inhibitor GSK3011724A and Optimization around a Genotoxic Metabolite.
Acs Infect Dis., 6, 2020
8DTD
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BU of 8dtd by Molmil
Crystal Structure of FosB from Bacillus cereus with Zinc and Phosphonoformate
分子名称: Metallothiol transferase FosB, PHOSPHONOFORMIC ACID, ZINC ION
著者Travis, S, Gilbert, N.C, Thompson, M.K.
登録日2022-07-25
公開日2023-08-02
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Inhibition of Fosfomycin Resistance Protein FosB from Gram-Positive Pathogens by Phosphonoformate.
Biochemistry, 62, 2023
6SF8
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Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment j51
分子名称: 3-[(4E)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4H)-yl]-N,N-dimethylpropan-1-amine, 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 (1.62 Å)
主引用文献Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment j51
To Be Published
2KCE
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BINDING OF THE ANTICANCER DRUG ZD1694 TO E. COLI THYMIDYLATE SYNTHASE: ASSESSING SPECIFICITY AND AFFINITY
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE, TOMUDEX
著者Rutenber, E.E, Stroud, R.M.
登録日1997-06-09
公開日1997-11-19
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Binding of the anticancer drug ZD1694 to E. coli thymidylate synthase: assessing specificity and affinity.
Structure, 4, 1996
6SUT
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Crystal structure of phosphothreonine MCR-2
分子名称: BROMIDE ION, GLYCEROL, Putative integral membrane protein, ...
著者Hinchliffe, P, Spencer, J.
登録日2019-09-16
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Resistance to the "last resort" antibiotic colistin: a single-zinc mechanism for phosphointermediate formation in MCR enzymes.
Chem.Commun.(Camb.), 56, 2020
8DAY
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Crystal Structure of DMATS1 prenyltransferase in complex with L-Tyr and DMSPP
分子名称: DIMETHYLALLYL S-THIOLODIPHOSPHATE, Dimethylallyltryptophan synthase 1, TYROSINE
著者Eaton, S.A, Ronnebaum, T.A, Roose, B.W, Christianson, D.W.
登録日2022-06-14
公開日2022-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Basis of Substrate Promiscuity and Catalysis by the Reverse Prenyltransferase N -Dimethylallyl-l-tryptophan Synthase from Fusarium fujikuroi .
Biochemistry, 61, 2022
8DAZ
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Crystal structure of DMATS1 prenyltransferase in complex with L-Trp and GSPP
分子名称: Dimethylallyltryptophan synthase 1, GERANYL S-THIOLODIPHOSPHATE, TRYPTOPHAN
著者Eaton, S.A, Ronnebaum, T.A, Roose, B.W, Christianson, D.W.
登録日2022-06-14
公開日2022-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structural Basis of Substrate Promiscuity and Catalysis by the Reverse Prenyltransferase N -Dimethylallyl-l-tryptophan Synthase from Fusarium fujikuroi .
Biochemistry, 61, 2022
8FBB
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LH2-LH3 antenna in parallel configuration embedded in a nanodisc
分子名称: BACTERIOCHLOROPHYLL A, LYCOPENE, Light-harvesting protein B-800/850 alpha chain, ...
著者Toporik, H, Harris, D, Schlau-Cohen, G.S, Mazor, Y.
登録日2022-11-29
公開日2023-07-19
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (11.3 Å)
主引用文献Elucidating interprotein energy transfer dynamics within the antenna network from purple bacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
6WW1
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Crystal structure of the LmFPPS mutant E97Y
分子名称: 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ...
著者Maheshwari, S, Kim, Y.S, Gabelli, S.B.
登録日2020-05-07
公開日2020-10-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase.
Biochemistry, 59, 2020
6R2E
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Crystal structure of the human thymidylate synthase (hTS) interface variant Q62R
分子名称: CHLORIDE ION, GLYCEROL, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, ...
著者Pozzi, C, Mangani, M.
登録日2019-03-16
公開日2019-04-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Evidence of Destabilization of the Human Thymidylate Synthase (hTS) Dimeric Structure Induced by the Interface Mutation Q62R.
Biomolecules, 9, 2019
8DB0
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Crystal structure of DMATS1 prenyltransferase in complex with L-Trp and DMSPP
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DIMETHYLALLYL S-THIOLODIPHOSPHATE, ...
著者Eaton, S.A, Ronnebaum, T.A, Roose, B.W, Christianson, D.W.
登録日2022-06-14
公開日2022-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural Basis of Substrate Promiscuity and Catalysis by the Reverse Prenyltransferase N -Dimethylallyl-l-tryptophan Synthase from Fusarium fujikuroi .
Biochemistry, 61, 2022
5D7B
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Trigonal Crystal Structure of an acetylester hydrolase from Corynebacterium glutamicum
分子名称: GLYCEROL, Homoserine O-acetyltransferase
著者Niefind, K, Toelzer, C, Pal, S, Altenbuchner, J, Watzlawick, H.
登録日2015-08-13
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献A novel esterase subfamily with alpha / beta-hydrolase fold suggested by structures of two bacterial enzymes homologous to l-homoserine O-acetyl transferases.
Febs Lett., 590, 2016
2I19
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T. Brucei farnesyl diphosphate synthase complexed with bisphosphonate
分子名称: Farnesyl pyrophosphate synthase, MAGNESIUM ION, [2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID)
著者Cao, R, Mao, J, Gao, Y, Robinson, H, Odeh, S, Goddard, A, Oldfield, E.
登録日2006-08-13
公開日2006-10-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Solid-state NMR, crystallographic, and computational investigation of bisphosphonates and farnesyl diphosphate synthase-bisphosphonate complexes.
J.Am.Chem.Soc., 128, 2006

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