8F96
 
 | | Compound 3 bound to procaspase-6 | | Descriptor: | 5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | Deposit date: | 2022-11-23 | | Release date: | 2023-12-13 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F78
 | | Compound 1 bound to procaspase-6 | | Descriptor: | 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol, CHLORIDE ION, Procaspase-6 | | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | Deposit date: | 2022-11-18 | | Release date: | 2023-12-13 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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3DYR
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8FBV
 | | Compound 7 bound to procaspase-6 | | Descriptor: | 5-fluoro-2-({[(3M)-3-(1H-imidazol-2-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | Deposit date: | 2022-11-30 | | Release date: | 2023-12-13 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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6D06
 | | Human ADAR2d E488Y mutant complexed with dsRNA containing an abasic site opposite the edited base | | Descriptor: | Double-stranded RNA-specific editase 1, INOSITOL HEXAKISPHOSPHATE, RNA (5'-R(*CP*AP*GP*AP*GP*CP*CP*CP*CP*CP*NP*AP*GP*CP*AP*UP*CP*GP*CP*GP*AP*GP*C)-3'), ... | | Authors: | Matthews, M.M, Fisher, A.J, Beal, P.A. | | Deposit date: | 2018-04-10 | | Release date: | 2019-02-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | A Bump-Hole Approach for Directed RNA Editing.
Cell Chem Biol, 26, 2019
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4R1D
 | | The crystal structure of Tle4-Tli4 complex | | Descriptor: | CALCIUM ION, Uncharacterized protein | | Authors: | Lu, D. | | Deposit date: | 2014-08-05 | | Release date: | 2014-12-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.749 Å) | | Cite: | The structural basis of the Tle4-Tli4 complex reveals the self-protection mechanism of H2-T6SS in Pseudomonas aeruginosa.
Acta Crystallogr.,Sect.D, 70, 2014
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3WZL
 | | ZEN lactonase | | Descriptor: | Zearalenone hydrolase | | Authors: | Ko, T.P, Huang, C.H, Liu, J.R, Guo, R.T. | | Deposit date: | 2014-10-01 | | Release date: | 2014-11-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure and substrate-binding mode of the mycoestrogen-detoxifying lactonase ZHD from Clonostachys rosea
RSC ADV, 4, 2014
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3WZM
 | | ZEN lactonase mutant complex | | Descriptor: | (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Zearalenone hydrolase | | Authors: | Ko, T.P, Huang, C.H, Liu, J.R, Guo, R.T. | | Deposit date: | 2014-10-01 | | Release date: | 2014-11-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Crystal structure and substrate-binding mode of the mycoestrogen-detoxifying lactonase ZHD from Clonostachys rosea
RSC ADV, 4, 2014
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5ZHE
 | | STRUCTURE OF E. COLI UNDECAPRENYL DIPHOSPHATE SYNTHASE IN COMPLEX WITH BPH-981 | | Descriptor: | 2-hydroxy-6-(tetradecyloxy)benzoic acid, Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | | Authors: | Gao, J, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-03-13 | | Release date: | 2019-03-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis.
J.Med.Chem., 62, 2019
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5HP2
 | | Human Adenosine Deaminase Acting on dsRNA (ADAR2) bound to dsRNA sequence derived from S. cerevisiae BDF2 gene with AU basepair at reaction site | | Descriptor: | Double-stranded RNA-specific editase 1, INOSITOL HEXAKISPHOSPHATE, RNA (5'-R(*GP*AP*CP*UP*GP*AP*AP*CP*GP*AP*CP*UP*AP*AP*UP*GP*UP*GP*GP*GP*GP*AP*A)-3'), ... | | Authors: | Matthews, M.M, Fisher, A.J, Beal, P.A. | | Deposit date: | 2016-01-20 | | Release date: | 2016-04-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.983 Å) | | Cite: | Structures of human ADAR2 bound to dsRNA reveal base-flipping mechanism and basis for site selectivity.
Nat.Struct.Mol.Biol., 23, 2016
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5HA9
 | | Crystal structure-based design and disovery of a novel PARP1 antiagonist (BL-PA10) that induces apoptosis and inhibits metastasis in triple negative breast cancer | | Descriptor: | Amitriptyline, GLYCEROL, Poly [ADP-ribose] polymerase 1, ... | | Authors: | Fu, L, Peng, H, Zhang, L, Ouyang, L. | | Deposit date: | 2015-12-30 | | Release date: | 2016-03-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (4.01 Å) | | Cite: | Crystal structure-based discovery of a novel synthesized PARP1 inhibitor (OL-1) with apoptosis-inducing mechanisms in triple-negative breast cancer.
Sci Rep, 6, 2016
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5ZE6
 | | CRYSTAL STRUCTURE OF OCTAPRENYL PYROPHOSPHATE SYNTHASE FROM ESCHERICHIA COLI WITH BPH-981 | | Descriptor: | 2-hydroxy-6-(tetradecyloxy)benzoic acid, MAGNESIUM ION, Octaprenyl diphosphate synthase | | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-02-26 | | Release date: | 2019-02-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis.
J.Med.Chem., 62, 2019
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5HP3
 | | Human Adenosine Deaminase Acting on dsRNA (ADAR2) bound to dsRNA sequence derived from S. cerevisiae BDF2 gene with AC mismatch at reaction site | | Descriptor: | Double-stranded RNA-specific editase 1, INOSITOL HEXAKISPHOSPHATE, RNA (5'-R(*GP*AP*CP*UP*GP*AP*AP*CP*GP*AP*CP*CP*AP*AP*UP*GP*UP*GP*GP*GP*GP*AP*A)-3'), ... | | Authors: | Matthews, M.M, Fisher, A.J, Beal, P.A. | | Deposit date: | 2016-01-20 | | Release date: | 2016-04-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.091 Å) | | Cite: | Structures of human ADAR2 bound to dsRNA reveal base-flipping mechanism and basis for site selectivity.
Nat.Struct.Mol.Biol., 23, 2016
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5ZLF
 | | CRYSTAL STRUCTURE OF OCTAPRENYL PYROPHOSPHATE SYNTHASE FROM ESCHERICHIA COLI WITH ligand BPH-629 | | Descriptor: | MAGNESIUM ION, Octaprenyl diphosphate synthase, [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID | | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-03-27 | | Release date: | 2019-03-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.845 Å) | | Cite: | Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis.
J.Med.Chem., 62, 2019
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5KL6
 | | Wilms Tumor Protein (WT1) Q369R ZnF2-4 in complex with DNA | | Descriptor: | DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*GP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*CP*CP*CP*CP*AP*CP*GP*C)-3'), Wilms tumor protein, ... | | Authors: | Hashimoto, H, Cheng, X. | | Deposit date: | 2016-06-23 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.641 Å) | | Cite: | Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications.
Nucleic Acids Res., 44, 2016
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5KL4
 | | Wilms Tumor Protein (WT1) ZnF2-4 Q369H in complex with formylated DNA | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(5FC)P*GP*T)-3'), ... | | Authors: | Hashimoto, H, Cheng, X. | | Deposit date: | 2016-06-23 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.783 Å) | | Cite: | Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications.
Nucleic Acids Res., 44, 2016
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5KL5
 | | Wilms Tumor Protein (WT1) ZnF2-4 Q369H in complex with carboxylated DNA | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(1CC)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), ... | | Authors: | Hashimoto, H, Cheng, X. | | Deposit date: | 2016-06-23 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.289 Å) | | Cite: | Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications.
Nucleic Acids Res., 44, 2016
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5KL2
 | | Wilms Tumor Protein (WT1) ZnF2-4 in complex with DNA | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*AP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*TP*CP*CP*CP*AP*CP*GP*C)-3'), ... | | Authors: | Hashimoto, H, Cheng, X. | | Deposit date: | 2016-06-23 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.692 Å) | | Cite: | Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications.
Nucleic Acids Res., 44, 2016
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5KL3
 | | Wilms Tumor Protein (WT1) ZnF2-4 Q369H in complex with DNA | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*AP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*TP*CP*CP*CP*AP*CP*GP*C)-3'), ... | | Authors: | Hashimoto, H, Cheng, X. | | Deposit date: | 2016-06-23 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.449 Å) | | Cite: | Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications.
Nucleic Acids Res., 44, 2016
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5KL7
 | | Wilms Tumor Protein (WT1) ZnF2-4Q369R in complex with carboxylated DNA | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(1CC)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), ... | | Authors: | Hashimoto, H, Cheng, X. | | Deposit date: | 2016-06-23 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.579 Å) | | Cite: | Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications.
Nucleic Acids Res., 44, 2016
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5TRM
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4M9E
 | | Structure of Klf4 zinc finger DNA binding domain in complex with methylated DNA | | Descriptor: | ACETATE ION, DNA (5'-D(*GP*AP*GP*GP*(5CM)P*GP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*(5CM)P*GP*CP*CP*TP*C)-3'), ... | | Authors: | Liu, Y, Olanrewaju, Y.O, Blumenthal, R.M, Zhang, X, Cheng, X. | | Deposit date: | 2013-08-14 | | Release date: | 2014-02-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | Structural basis for Klf4 recognition of methylated DNA.
Nucleic Acids Res., 42, 2014
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4OC8
 | | DNA modification-dependent restriction endonuclease AspBHI | | Descriptor: | PHOSPHATE ION, restriction endonuclease AspBHI | | Authors: | Horton, J.R. | | Deposit date: | 2014-01-08 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.884 Å) | | Cite: | Structure and mutagenesis of the DNA modification-dependent restriction endonuclease AspBHI.
Sci Rep, 4, 2014
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4PBB
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4PBA
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