6R07
 
 | | 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
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6R09
 | | T. cruzi FPPS in complex with 2-(4-((1H-indol-3-yl)methyl)piperazin-1-yl)benzo[d]thiazole | | 分子名称: | 2-[4-(1~{H}-indol-3-ylmethyl)piperazin-1-yl]-1,3-benzothiazole, Farnesyl diphosphate synthase, SULFATE ION, ... | | 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 (1.28 Å) | | 主引用文献 | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Thesis, 2019
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6R0A
 | | T. cruzi FPPS in complex with 3-((4-(benzo[d]thiazol-2-yl)piperazin-1-yl)methyl)-1H-indol-5-ol | | 分子名称: | 3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol, ACETATE ION, 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 (1.32 Å) | | 主引用文献 | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Thesis, 2019
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4BGU
 | | 1.50 A resolution structure of the malate dehydrogenase from Haloferax volcanii | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, ... | | 著者 | Talon, R, Madern, D, Girard, E. | | 登録日 | 2013-03-28 | | 公開日 | 2014-04-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.487 Å) | | 主引用文献 | Insight Into Structural Evolution of Extremophilic Proteins
To be Published
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2K2X
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2GPC
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3UK2
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3TEJ
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6B69
 | | Beta-Lactamase, 500ms timepoint, mixed, shards crystal form | | 分子名称: | (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, (2R)-2-[(S)-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-(hydroxymethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, ... | | 著者 | Pandey, S, Schmidt, M. | | 登録日 | 2017-10-01 | | 公開日 | 2018-06-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
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6B6D
 | | Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 100ms | | 分子名称: | (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone | | 著者 | Pandey, S, Schmidt, M. | | 登録日 | 2017-10-01 | | 公開日 | 2018-06-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
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5STZ
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03D04 from the F2X-Universal Library | | 分子名称: | 3-(1H-indol-3-yl)propanamide, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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5SUA
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03F12 from the F2X-Universal Library | | 分子名称: | 3-oxo-3-(thiomorpholin-4-yl)propanenitrile, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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6B5Y
 | | Beta-lactamase, mixed with Ceftriaxone, 30ms time point, Shards crystal form | | 分子名称: | Beta-lactamase, Ceftriaxone, PHOSPHATE ION | | 著者 | Pandey, S, Schmidt, M. | | 登録日 | 2017-09-29 | | 公開日 | 2018-06-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
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6SI5
 | | T. cruzi FPPS in complex with 1-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carbonyl)pyridin-2(1H)-one | | 分子名称: | 5-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one, Farnesyl diphosphate synthase, SULFATE ION | | 著者 | Petrick, J.K, Muenzker, L, Schleberger, C, Cornaciu, I, Clavel, D, Marquez, J.A, Jahnke, W. | | 登録日 | 2019-08-08 | | 公開日 | 2020-08-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.097 Å) | | 主引用文献 | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Thesis, 2019
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6B6B
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6B6A
 | | Beta-Lactamase, 2secs timepoint, mixed, shards crystal form | | 分子名称: | (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone, ... | | 著者 | Pandey, S, Schmidt, M. | | 登録日 | 2017-10-01 | | 公開日 | 2018-06-27 | | 最終更新日 | 2020-01-15 | | 実験手法 | X-RAY DIFFRACTION (2.298 Å) | | 主引用文献 | Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
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6B6C
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6B6E
 | | Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 500ms | | 分子名称: | (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone | | 著者 | Pandey, S, Schmidt, M. | | 登録日 | 2017-10-01 | | 公開日 | 2018-06-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | | 主引用文献 | Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
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6SHV
 | | T. cruzi FPPS in complex with 5-(4-fluorophenoxy)pyridin-2-amine | | 分子名称: | 5-(4-fluoranylphenoxy)pyridin-2-amine, Farnesyl diphosphate synthase, SULFATE ION, ... | | 著者 | Petrick, J.K, Muenzker, L, Schleberger, C, Cornaciu, I, Clavel, D, Marquez, J.A, Jahnke, W. | | 登録日 | 2019-08-08 | | 公開日 | 2020-08-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.808 Å) | | 主引用文献 | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Thesis, 2019
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6Y9I
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6B68
 | | Beta-Lactamase, 100ms timepoint, mixed, shards crystal form | | 分子名称: | (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone, ... | | 著者 | Pandey, S, Schmidt, M. | | 登録日 | 2017-10-01 | | 公開日 | 2018-06-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
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5QT8
 | | T. brucei FPPS in complex with CAS 34105-16-3 | | 分子名称: | (2R)-1-[(4-chlorophenyl)(methyl)amino]-3-(1H-imidazol-1-yl)propan-2-ol, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | | 登録日 | 2019-08-07 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | T. brucei FPPS in complex with CAS 34105-16-3
To Be Published
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4R8T
 | | Structure of JEV protease | | 分子名称: | CHLORIDE ION, NS3, Serine protease subunit NS2B | | 著者 | Nair, D.T, Weinert, T, Wang, M, Olieric, V. | | 登録日 | 2014-09-03 | | 公開日 | 2014-12-24 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.133 Å) | | 主引用文献 | Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
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3P99
 | | Sterol 14alpha-demethylase (CYP51) from Trypanosoma brucei in complex with delta7-14alpha-methylene-cyclopropyl-dihydrolanosterol | | 分子名称: | (3alpha,9beta,10alpha,13alpha)-30-cyclopropylidenelanost-7-en-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha-demethylase | | 著者 | Lepesheva, G.I, Hargrove, T.Y, Waterman, M.R, Wawrzak, Z. | | 登録日 | 2010-10-16 | | 公開日 | 2011-11-30 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural complex of sterol 14alpha-demethylase (CYP51) with 14alpha-methylenecyclopropyl-delta7-24, 25-dihydrolanosterol
J.Lipid Res., 53, 2012
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7NUF
 | | Vaccinia virus protein 018 in complex with STAT1 | | 分子名称: | ACETYL GROUP, SULFATE ION, Signal transducer and activator of transcription 1-alpha/beta, ... | | 著者 | Pantelejevs, T, Talbot-Cooper, C, Smith, G.L, Hyvonen, M. | | 登録日 | 2021-03-12 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.0004015 Å) | | 主引用文献 | Poxviruses and paramyxoviruses use a conserved mechanism of STAT1 antagonism to inhibit interferon signaling.
Cell Host Microbe, 30, 2022
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