5RBR
 
 | | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library C04a | | 分子名称: | 2-hydrazinyl-4-methoxypyrimidine, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | 登録日 | 2020-03-24 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (0.9 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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5RC6
 | | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library F08b | | 分子名称: | 4-[(methylamino)methyl]phenol, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | 登録日 | 2020-03-24 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (1.18 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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5RCL
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 06 | | 分子名称: | Endothiapepsin | | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | 登録日 | 2020-03-24 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (1.01 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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7N8I
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5RCU
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 16 | | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | 登録日 | 2020-03-24 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (1.1 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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5RDB
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 33 | | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | 登録日 | 2020-03-24 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (1.04 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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5RDP
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 41 | | 分子名称: | Endothiapepsin | | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | 登録日 | 2020-03-24 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (0.97 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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8P8E
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5RBX
 | | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library D10a | | 分子名称: | 2-methyl-N-(4-methylphenyl)-L-alanine, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | 登録日 | 2020-03-24 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (1 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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5RCF
 | | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library H10b | | 分子名称: | (1R)-1-(4-fluorophenyl)-N-[2-(1H-pyrazol-1-yl)ethyl]ethan-1-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | 登録日 | 2020-03-24 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (1 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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5RD2
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 24 | | 分子名称: | Endothiapepsin | | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | 登録日 | 2020-03-24 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (1.08 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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5RDF
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 37 | | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | 登録日 | 2020-03-24 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (0.97 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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5RDX
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 54 | | 分子名称: | Endothiapepsin | | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | 登録日 | 2020-03-24 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (0.98 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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5WR7
 | | Crystal structure of Trk-A complexed with a selective inhibitor CH7057288 | | 分子名称: | High affinity nerve growth factor receptor, N-tert-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide | | 著者 | Tanaka, H, Blaesse, M, Augustin, M, Goesser, C. | | 登録日 | 2016-11-30 | | 公開日 | 2017-12-06 | | 最終更新日 | 2018-12-19 | | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | | 主引用文献 | Selective TRK Inhibitor CH7057288 against TRK Fusion-Driven Cancer.
Mol. Cancer Ther., 17, 2018
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6TLP
 | | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE | | 分子名称: | 5,6-DIBROMOBENZOTRIAZOLE, CITRATE ANION, Casein kinase II subunit alpha, ... | | 著者 | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | | 登録日 | 2019-12-03 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
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7N8H
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8OG5
 | | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 1 | | 分子名称: | 1,2-ETHANEDIOL, 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, ACETATE ION, ... | | 著者 | Schroeder, M, Vulpetti, A, Renatus, M. | | 登録日 | 2023-03-19 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
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7AMP
 | | Crystal structure of the complex of HuJovi-1 Fab with the human A6 T-cell receptor TRBC1 | | 分子名称: | Alpha chain of A6 T-cell receptor, Beta chain 1 of A6 T-cell receptor TRBC1, CHLORIDE ION, ... | | 著者 | Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M. | | 登録日 | 2020-10-09 | | 公開日 | 2022-04-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies
Res Sq, 2022
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8OG6
 | | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 1 | | 分子名称: | 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, ACETATE ION, DDB1- and CUL4-associated factor 1 | | 著者 | Schroeder, M, Vulpetti, A, Renatus, M. | | 登録日 | 2023-03-19 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.245 Å) | | 主引用文献 | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
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7AMQ
 | | Crystal structure of the complex of HuJovi-1 Fab with the human TRBC2 | | 分子名称: | CHLORIDE ION, GLYCEROL, Human A6 T-cell receptor alpha chain, ... | | 著者 | Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M. | | 登録日 | 2020-10-09 | | 公開日 | 2022-04-20 | | 最終更新日 | 2022-04-27 | | 実験手法 | X-RAY DIFFRACTION (2.353 Å) | | 主引用文献 | Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies
Res Sq, 2022
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8OG8
 | | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 3 | | 分子名称: | 1,2-ETHANEDIOL, 5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline, ACETATE ION, ... | | 著者 | Schroeder, M, Vulpetti, A, Renatus, M. | | 登録日 | 2023-03-19 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
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7D6Q
 | | Crystal structure of the Stx2a | | 分子名称: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, Shiga toxin 2 B subunit, rRNA N-glycosylase | | 著者 | Takahashi, M, Tamada, M, Hibino, M, Senda, M, Okuda, A, Miyazawa, A, Senda, T, Nishikawa, K. | | 登録日 | 2020-10-01 | | 公開日 | 2021-04-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Identification of a peptide motif that potently inhibits two functionally distinct subunits of Shiga toxin.
Commun Biol, 4, 2021
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7AMS
 | | Crystal structure of the complex of the KFN mutant of HuJovi-1 Fab with human TRBC2 | | 分子名称: | CHLORIDE ION, GLYCEROL, Human A6 T-cell receptor alpha chain, ... | | 著者 | Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Svensson, A, Logan, D.T, Sewell, A, Onuoha, S, Pule, M. | | 登録日 | 2020-10-09 | | 公開日 | 2022-04-20 | | 最終更新日 | 2022-04-27 | | 実験手法 | X-RAY DIFFRACTION (2.419 Å) | | 主引用文献 | Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies
Res Sq, 2022
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7AMR
 | | Crystal structure of the complex of the KFN mutant of Jovi-1 Fab with human TRBC1 | | 分子名称: | CHLORIDE ION, GLYCEROL, Human Jovi-1 Fab fragment, ... | | 著者 | Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M. | | 登録日 | 2020-10-09 | | 公開日 | 2022-04-20 | | 最終更新日 | 2022-04-27 | | 実験手法 | X-RAY DIFFRACTION (1.949 Å) | | 主引用文献 | Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies
Res Sq, 2022
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8OGC
 | | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 11 | | 分子名称: | 1,2-ETHANEDIOL, 1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]ethanone, ACETATE ION, ... | | 著者 | Schroeder, M, Vulpetti, A, Renatus, M. | | 登録日 | 2023-03-19 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
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