5R29
 
 | | PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry G09, DMSO-free | | 分子名称: | (2R)-2-(acetylamino)-4-phenylbutanoic acid, Endothiapepsin | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.105 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R2R
 | | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 15, DMSO-Free | | 分子名称: | Endothiapepsin | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.048 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R38
 | | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 32, DMSO-Free | | 分子名称: | Endothiapepsin | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.076 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R3N
 | | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 47, DMSO-Free | | 分子名称: | Endothiapepsin | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.059 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R1V
 | | PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry C04, DMSO-free | | 分子名称: | 2-hydrazinyl-4-methoxypyrimidine, Endothiapepsin | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (0.94 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R2A
 | | PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry H02, DMSO-free | | 分子名称: | 3-cyclopentyl-1-(piperazin-1-yl)propan-1-one, Endothiapepsin | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.049 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R2N
 | | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 11, DMSO-Free | | 分子名称: | Endothiapepsin | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.078 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R33
 | | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 27, DMSO-Free | | 分子名称: | Endothiapepsin | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (0.92 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R3I
 | | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 42, DMSO-Free | | 分子名称: | Endothiapepsin | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.039 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R3Y
 | | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 58, DMSO-Free | | 分子名称: | Endothiapepsin | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.038 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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6A8B
 | | Ribokinase from Leishmania donovani with AMPPCP | | 分子名称: | CHLORIDE ION, GLYCEROL, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | 著者 | Gatreddi, S, Pillalamarri, V, Qureshi, I.A. | | 登録日 | 2018-07-06 | | 公開日 | 2019-07-10 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Unraveling structural insights of ribokinase from Leishmania donovani.
Int.J.Biol.Macromol., 136, 2019
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6AMQ
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5ZFT
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5IQF
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5IQI
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5ZG6
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5ZDO
 | | Crystal Structure Analysis of TtQRS in co-crystallised with ATP | | 分子名称: | CHLORIDE ION, Glutamine-tRNA ligase | | 著者 | Mutharasappan, N, Jain, V, Sharma, A, Manickam, Y, Jeyaraman, J. | | 登録日 | 2018-02-23 | | 公開日 | 2018-12-05 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural and functional analysis of Glutaminyl-tRNA synthetase (TtGlnRS) from Thermus thermophilus HB8 and its complexes
Int. J. Biol. Macromol., 120, 2018
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5J7Q
 | | Macrophage Migration Inhibitory Factor bound to Inhibitor K664 Derivative | | 分子名称: | 4-(imidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol, GLYCEROL, ISOPROPYL ALCOHOL, ... | | 著者 | Robertson, M.J, Jorgensen, W.L. | | 登録日 | 2016-04-06 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Irregularities in enzyme assays: The case of macrophage migration inhibitory factor.
Bioorg.Med.Chem.Lett., 26, 2016
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6B1V
 | | Crystal structure of Ps i-CgsB C78S in complex with i-neocarratetraose | | 分子名称: | 1,2-ETHANEDIOL, 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, ... | | 著者 | Hettle, A.G, Boraston, A.B. | | 登録日 | 2017-09-19 | | 公開日 | 2018-03-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | The Molecular Basis of Polysaccharide Sulfatase Activity and a Nomenclature for Catalytic Subsites in this Class of Enzyme.
Structure, 26, 2018
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5ZDL
 | | Crystal Structure Analysis of TtQRS in co-crystallised with ATP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Glutamine--tRNA ligase | | 著者 | Mutharasappan, N, Jain, V, Sharma, A, Manickam, Y, Jeyaraman, J. | | 登録日 | 2018-02-23 | | 公開日 | 2018-12-05 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural and functional analysis of Glutaminyl-tRNA synthetase (TtGlnRS) from Thermus thermophilus HB8 and its complexes
Int. J. Biol. Macromol., 120, 2018
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5HBL
 | | Native rhodanese domain of YgaP prepared with 1mM DDT is S-nitrosylated | | 分子名称: | Inner membrane protein YgaP | | 著者 | Eichmann, C, Tzitzilonis, C, Nakamura, T, Kwiatkowski, W, Maslennikov, I, Choe, S, Lipton, S.A, Riek, R. | | 登録日 | 2015-12-31 | | 公開日 | 2016-08-10 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.617 Å) | | 主引用文献 | S-Nitrosylation Induces Structural and Dynamical Changes in a Rhodanese Family Protein.
J.Mol.Biol., 428, 2016
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6A4N
 | | HEWL crystals soaked in 2.5M GuHCl for 8 minutes | | 分子名称: | CHLORIDE ION, GLYCEROL, GUANIDINE, ... | | 著者 | Tushar, R, Kini, R.M, Koh, C.Y, Hosur, M.V. | | 登録日 | 2018-06-20 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | X-ray crystallographic analysis of time-dependent binding of guanidine hydrochloride to HEWL: First steps during protein unfolding.
Int. J. Biol. Macromol., 122, 2019
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5JMG
 | | X-ray structure of the complex between bovine pancreatic ribonuclease and pentachlorocarbonyliridate(III) (4 days of soaking) | | 分子名称: | CARBON MONOXIDE, CHLORIDE ION, IRIDIUM ION, ... | | 著者 | Caterino, M, Petruk, A.A, Vergara, A, Ferraro, G, Merlino, A. | | 登録日 | 2016-04-29 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Mapping the protein-binding sites for iridium(iii)-based CO-releasing molecules.
Dalton Trans, 45, 2016
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5JML
 | | X-ray structure of the complex between bovine pancreatic ribonuclease and penthachlorocarbonyliridate(III) (2 months of soaking) | | 分子名称: | CARBON MONOXIDE, CHLORIDE ION, IRIDIUM ION, ... | | 著者 | Caterino, M, Petruk, A.A, Vergara, A, Ferraro, G, Merlino, A. | | 登録日 | 2016-04-29 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Mapping the protein-binding sites for iridium(iii)-based CO-releasing molecules.
Dalton Trans, 45, 2016
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5J16
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