8C74
| Pyrrolidine fragment 10d bound to endothiapepsin | Descriptor: | (3~{R},4~{R})-4-[4-[(4-azanylphenoxy)methyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol, Endothiapepsin, GLYCEROL | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | Deposit date: | 2023-01-12 | Release date: | 2023-05-24 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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3R9A
| Human alanine-glyoxylate aminotransferase in complex with the TPR domain of human PEX5P | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Peroxisomal targeting signal 1 receptor, Serine--pyruvate aminotransferase | Authors: | Fodor, K, Wilmanns, M. | Deposit date: | 2011-03-25 | Release date: | 2011-05-11 | Last modified: | 2012-05-02 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Molecular requirements for peroxisomal targeting of alanine-glyoxylate aminotransferase as an essential determinant in primary hyperoxaluria type 1 Plos Biol., 10, 2012
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8C6S
| Fragment screening hit III bound to endothiapepsin | Descriptor: | 4-(1,4-diazepan-1-ylsulfonyl)isoquinoline, Endothiapepsin, GLYCEROL | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | Deposit date: | 2023-01-12 | Release date: | 2023-05-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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8C6T
| Fragment screening hit IV bound to endothiapepsin | Descriptor: | 1-[3,5-bis(chloranyl)phenoxy]propan-2-amine, Endothiapepsin, GLYCEROL | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | Deposit date: | 2023-01-12 | Release date: | 2023-05-24 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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8OU4
| Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11a | Descriptor: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-chloranyl-benzamide, Cereblon isoform 4, ZINC ION | Authors: | Heim, C, Bischof, L, Hartmann, M.D. | Deposit date: | 2023-04-21 | Release date: | 2023-11-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs. J.Med.Chem., 66, 2023
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8OU3
| Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 8d | Descriptor: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-fluoranyl-benzamide, Cereblon isoform 4, PHOSPHATE ION, ... | Authors: | Heim, C, Bischof, L, Maiwald, S, Hartmann, M.D. | Deposit date: | 2023-04-21 | Release date: | 2023-11-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs. J.Med.Chem., 66, 2023
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8OU6
| Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11c | Descriptor: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-methyl-benzamide, Cereblon isoform 4, PHOSPHATE ION, ... | Authors: | Heim, C, Bischof, L, Hartmann, M.D. | Deposit date: | 2023-04-21 | Release date: | 2023-11-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs. J.Med.Chem., 66, 2023
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8OU5
| Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11b | Descriptor: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-(trifluoromethyl)benzamide, Cereblon isoform 4, ZINC ION | Authors: | Heim, C, Bischof, L, Hartmann, M.D. | Deposit date: | 2023-04-21 | Release date: | 2023-11-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs. J.Med.Chem., 66, 2023
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8OU7
| Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11d | Descriptor: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-methoxy-benzamide, Cereblon isoform 4, ZINC ION | Authors: | Heim, C, Bischof, L, Hartmann, M.D. | Deposit date: | 2023-04-22 | Release date: | 2023-11-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs. J.Med.Chem., 66, 2023
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8OU9
| Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11e | Descriptor: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-oxidanyl-benzamide, Cereblon isoform 4, ZINC ION | Authors: | Heim, C, Bischof, L, Hartmann, M.D. | Deposit date: | 2023-04-22 | Release date: | 2023-11-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs. J.Med.Chem., 66, 2023
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8OUA
| Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11f | Descriptor: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(fluoranyl)-3-methoxy-benzamide, Cereblon isoform 4, PHOSPHATE ION, ... | Authors: | Heim, C, Bischof, L, Hartmann, M.D. | Deposit date: | 2023-04-22 | Release date: | 2023-11-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs. J.Med.Chem., 66, 2023
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8PKU
| Kelch domain of KEAP1 in complex with ortho-dimethylbenzene linked cyclic peptide 3 (ortho-WRCDEETGEC). | Descriptor: | (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Braun, M.B, Bischof, L, Hartmann, M.D. | Deposit date: | 2023-06-27 | Release date: | 2023-11-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders. J.Chem.Inf.Model., 63, 2023
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3EZK
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2V1R
| Yeast Pex13 SH3 domain complexed with a peptide from Pex14 at 2.1 A resolution | Descriptor: | PEROXISOMAL MEMBRANE PROTEIN PAS20, PEX14 | Authors: | Kursula, I, Kursula, P, Lehmann, F, Zou, P, Song, Y.H, Wilmanns, M. | Deposit date: | 2007-05-29 | Release date: | 2008-06-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Genomics of Yeast SH3 Domains To be Published
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2V1Q
| Atomic-resolution structure of the yeast Sla1 SH3 domain 3 | Descriptor: | CHLORIDE ION, CYTOSKELETON ASSEMBLY CONTROL PROTEIN SLA1, PLATINUM (II) ION, ... | Authors: | Kursula, I, Kursula, P, Zou, P, Lehmann, F, Song, Y.H, Wilmanns, M. | Deposit date: | 2007-05-29 | Release date: | 2008-06-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural Genomics of Yeast SH3 Domains To be Published
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2CGQ
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8OXR
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2CJQ
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2W4K
| X-ray structure of a DAP-Kinase 2-302 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DEATH-ASSOCIATED PROTEIN KINASE 1, MAGNESIUM ION | Authors: | De Diego, I, Kuper, J, Lehmann, F, Wilmanns, M. | Deposit date: | 2008-11-27 | Release date: | 2009-12-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Pef/Y Substrate Recognition and Signature Motif Plays a Critical Role in Dapk-Related Kinase Activity. Chem.Biol., 21, 2014
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2W4J
| X-ray structure of a DAP-Kinase 2-277 | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, DEATH-ASSOCIATED PROTEIN KINASE 1, ... | Authors: | De Diego, I, Kuper, J, Lehmann, F, Wilmanns, M. | Deposit date: | 2008-11-27 | Release date: | 2009-12-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | X-Ray Structure of a Dap-Kinase Calmodulin Complex To be Published
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3CPE
| Crystal Structure of T4 gp17 | Descriptor: | DNA packaging protein Gp17, PHOSPHATE ION, SODIUM ION | Authors: | Sun, S, Rossmann, M.G. | Deposit date: | 2008-03-31 | Release date: | 2009-01-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The structure of the phage T4 DNA packaging motor suggests a mechanism dependent on electrostatic forces Cell(Cambridge,Mass.), 135, 2008
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3ZGL
| Crystal structures of Escherichia coli IspH in complex with AMBPP a potent inhibitor of the methylerythritol phosphate pathway | Descriptor: | (2E)-4-amino-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-HYDROXY-3-METHYLBUT-2-ENYL DIPHOSPHATE REDUCTASE, IRON/SULFUR CLUSTER | Authors: | Borel, F, Barbier, E, Kratsutsky, S, Janthawornpong, K, Rohmer, M, Dale Poulter, C, Ferrer, J.L, Seemann, M. | Deposit date: | 2012-12-18 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Further Insight into Crystal Structures of Escherichia coli IspH/LytB in Complex with Two Potent Inhibitors of the MEP Pathway: A Starting Point for Rational Design of New Antimicrobials. Chembiochem, 18, 2017
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8A90
| Crystal structure of FrsH | Descriptor: | ACETATE ION, FE (III) ION, GLYCEROL, ... | Authors: | Schneberger, N, Wirtz, D.A, Cruesemann, M, Hagelueken, G. | Deposit date: | 2022-06-27 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.574 Å) | Cite: | Adenylation Domain-Guided Recruitment of Trans- Acting Nonheme Monooxygenases in Nonribosomal Peptide Biosynthesis. Acs Chem.Biol., 18, 2023
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3ZFE
| Human enterovirus 71 in complex with capsid binding inhibitor WIN51711 | Descriptor: | CHLORIDE ION, SODIUM ION, SPHINGOSINE, ... | Authors: | Plevka, P, Perera, R, Yap, M.L, Cardosa, J, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 2012-12-11 | Release date: | 2013-03-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of Human Enterovirus 71 in Complex with a Capsid-Binding Inhibitor. Proc.Natl.Acad.Sci.USA, 110, 2013
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3DP5
| Crystal structure of Geobacter sulfurreducens OmcF with N-terminal Strep-tag II | Descriptor: | Cytochrome c family protein, HEME C, SULFATE ION | Authors: | Lukat, P, Hoffmann, M, Einsle, O. | Deposit date: | 2008-07-07 | Release date: | 2008-09-02 | Last modified: | 2019-10-02 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystal packing of the c(6)-type cytochrome OmcF from Geobacter sulfurreducens is mediated by an N-terminal Strep-tag II ACTA CRYSTALLOGR.,SECT.D, 64, 2008
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