6A9J
| Crystal structure of the PE-bound N-terminal domain of Atg2 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Endolysin,Autophagy-related protein 2 | Authors: | Osawa, T, Noda, N.N. | Deposit date: | 2018-07-13 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Atg2 mediates direct lipid transfer between membranes for autophagosome formation. Nat. Struct. Mol. Biol., 26, 2019
|
|
8R7G
| Crystal structure of the kinase domain of ACVR1 (ALK2) with M4K2234 | Descriptor: | 2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide, Activin receptor type I | Authors: | Williams, E.P, Cros, J, Ensan, D, Smil, D, Edwards, A.M, O'Meara, J.A, Fernandez-Cid, A, Isaac, M.B, Al-awar, R, Bullock, A.N. | Deposit date: | 2023-11-24 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma. J.Med.Chem., 63, 2020
|
|
1JF6
| Crystal structure of thermoactinomyces vulgaris r-47 alpha-amylase mutant F286Y | Descriptor: | ALPHA AMYLASE II, CALCIUM ION | Authors: | Ohtaki, A, Kondo, S, Shimura, Y, Tonozuka, T, Sakano, Y, Kamitori, S. | Deposit date: | 2001-06-20 | Release date: | 2002-05-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Role of Phe286 in the recognition mechanism of cyclomaltooligosaccharides (cyclodextrins) by Thermoactinomyces vulgaris R-47 alpha-amylase 2 (TVAII). X-ray structures of the mutant TVAIIs, F286A and F286Y, and kinetic analyses of the Phe286-replaced mutant TVAIIs CARBOHYDR.RES., 334, 2001
|
|
5LAE
| Crystal structure of murine N1-acetylpolyamine oxidase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Peroxisomal N(1)-acetyl-spermine/spermidine oxidase,Peroxisomal N(1)-acetyl-spermine/spermidine oxidase | Authors: | Sjogren, T, Aagaard, A, Snijder, A, Barlind, L. | Deposit date: | 2016-06-14 | Release date: | 2017-03-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Structure of Murine N(1)-Acetylspermine Oxidase Reveals Molecular Details of Vertebrate Polyamine Catabolism. Biochemistry, 56, 2017
|
|
5MBX
| Crystal structure of reduced murine N1-acetylpolyamine oxidase in complex with N1-acetylspermine | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide, Peroxisomal N(1)-acetyl-spermine/spermidine oxidase, ... | Authors: | Sjogren, T, Aagaard, A, Wassvik, C, Snijder, A, Barlind, L. | Deposit date: | 2016-11-09 | Release date: | 2017-01-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Structure of Murine N(1)-Acetylspermine Oxidase Reveals Molecular Details of Vertebrate Polyamine Catabolism. Biochemistry, 56, 2017
|
|
5LFO
| Crystal structure of murine N1-acetylpolyamine oxidase in complex with N1-acetylspermine | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide, ... | Authors: | Sjogren, T, Aagaard, A, Wassvik, C, Snijder, A, Barlind, L. | Deposit date: | 2016-07-04 | Release date: | 2017-03-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | The Structure of Murine N(1)-Acetylspermine Oxidase Reveals Molecular Details of Vertebrate Polyamine Catabolism. Biochemistry, 56, 2017
|
|
5LGB
| Crystal structure of murine N1-acetylpolyamine oxidase in complex with MDL72527 | Descriptor: | FAD-MDL72527 adduct, N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE-DIAMINE, Peroxisomal N(1)-acetyl-spermine/spermidine oxidase,Peroxisomal N(1)-acetyl-spermine/spermidine oxidase | Authors: | Sjogren, T, Aagaard, A, Wassvik, C, Snijder, A, Barlind, L. | Deposit date: | 2016-07-06 | Release date: | 2017-08-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Structure of Murine N(1)-Acetylspermine Oxidase Reveals Molecular Details of Vertebrate Polyamine Catabolism. Biochemistry, 56, 2017
|
|
8I75
| |
8I76
| |
8I74
| |
8JJS
| Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP10343 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAA-ILE-SAR-SAR-7T2-SAR-IAE-LEU-MEA-MLE-7TK, ... | Authors: | Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T. | Deposit date: | 2023-05-31 | Release date: | 2023-07-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.534 Å) | Cite: | Development of Orally Bioavailable Peptides Targeting an Intracellular Protein: From a Hit to a Clinical KRAS Inhibitor. J.Am.Chem.Soc., 145, 2023
|
|
6LYC
| Crystal structure of the NOD SIRPa complex with D4-2 | Descriptor: | ACETIC ACID, D4-2, SIRPa of the NOD mouse strain | Authors: | Murata, Y, Matsuda, M, Nakagawa, A, Matozaki, T. | Deposit date: | 2020-02-14 | Release date: | 2020-07-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Macrocyclic Peptide-Mediated Blockade of the CD47-SIRP alpha Interaction as a Potential Cancer Immunotherapy. Cell Chem Biol, 27, 2020
|
|
7NL7
| Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand | Descriptor: | 3-Aminopropyl 2-deoxy-2-(4-phenyl-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside, CALCIUM ION, DC-SIGN, ... | Authors: | Jakob, R.P, Cramer, J, Lakkaichi, A, Aliu, B, Cattaneo, I, Klein, S, Jiang, X, Rabbani, S, Schwardt, O, Ernst, B, Maier, T. | Deposit date: | 2021-02-22 | Release date: | 2021-10-27 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2. J.Am.Chem.Soc., 143, 2021
|
|
7NL6
| Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand | Descriptor: | CALCIUM ION, DC-SIGN, CRD domain, ... | Authors: | Jakob, R.P, Cramer, J, Lakkaichi, A, Aliu, B, Cattaneo, I, Klein, S, Jiang, X, Rabbani, S, Schwardt, O, Ernst, B, Maier, T. | Deposit date: | 2021-02-22 | Release date: | 2021-10-27 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2. J.Am.Chem.Soc., 143, 2021
|
|
7LWE
| Crystal structure of the BCL6 BTB domain in complex with OICR-7629 | Descriptor: | ACETATE ION, B-cell lymphoma 6 protein, CHLORIDE ION, ... | Authors: | Kuntz, D.A, Prive, G.G. | Deposit date: | 2021-03-01 | Release date: | 2022-03-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor. Acs Med.Chem.Lett., 14, 2023
|
|
7LWG
| Crystal structure of the BCL6 BTB domain in complex with OICR-12694 | Descriptor: | 5-{(5S)-1-[2-({3-chloro-6-[(2S)-2,4-dimethylpiperazin-1-yl]-2-fluoropyridin-4-yl}amino)-2-oxoethyl]-4-oxo-4,6,7,8-tetrahydro-1H-dipyrrolo[1,2-a:2',3'-d]pyrimidin-3-yl}-3,4-difluoro-2-hydroxybenzamide, B-cell lymphoma 6 protein, GLYCEROL, ... | Authors: | Kuntz, D.A, Prive, G.G. | Deposit date: | 2021-03-01 | Release date: | 2022-03-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor. Acs Med.Chem.Lett., 14, 2023
|
|
7LWF
| Crystal structure of the BCL6 BTB domain in complex with OICR-9320 | Descriptor: | B-cell lymphoma 6 protein, GLYCEROL, N-(3-chloropyridin-4-yl)-2-[5-(3-cyano-4-hydroxyphenyl)-3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide | Authors: | Kuntz, D.A, Prive, G.G. | Deposit date: | 2021-03-01 | Release date: | 2022-03-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor. Acs Med.Chem.Lett., 14, 2023
|
|
7LZS
| Crystal structure of the BCL6 BTB domain in complex with OICR-11029 | Descriptor: | 3-chloro-5-{7-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide, B-cell lymphoma 6 protein, DIMETHYL SULFOXIDE, ... | Authors: | Kuntz, D.A, Prive, G.G. | Deposit date: | 2021-03-10 | Release date: | 2022-03-16 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor. Acs Med.Chem.Lett., 14, 2023
|
|
7LZQ
| Crystal structure of the BCL6 BTB domain in complex with OICR-4425 | Descriptor: | B-cell lymphoma 6 protein, DIMETHYL SULFOXIDE, N-(3-chloropyridin-4-yl)-2-(5-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide | Authors: | Kuntz, D.A, Prive, G.G. | Deposit date: | 2021-03-10 | Release date: | 2022-08-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor. Acs Med.Chem.Lett., 14, 2023
|
|
1CK6
| BINDING MODE OF SALICYLHYDROXAMIC ACID TO ARTHROMYCES RAMOSUS PEROXIDASE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PROTEIN (PEROXIDASE), ... | Authors: | Fukuyama, K, Itakura, H. | Deposit date: | 1999-04-28 | Release date: | 1999-12-29 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Binding of salicylhydroxamic acid and several aromatic donor molecules to Arthromyces ramosus peroxidase, investigated by X-ray crystallography, optical difference spectroscopy, NMR relaxation, molecular dynamics, and kinetics. Biochemistry, 38, 1999
|
|
7X85
| |
7D0I
| Cryo-EM structure of Schizosaccharomyces pombe Atg9 | Descriptor: | Autophagy-related protein 9, Lauryl Maltose Neopentyl Glycol | Authors: | Matoba, K, Tsutsumi, A, Kikkawa, M, Noda, N.N. | Deposit date: | 2020-09-10 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Atg9 is a lipid scramblase that mediates autophagosomal membrane expansion. Nat.Struct.Mol.Biol., 27, 2020
|
|
8C7Z
| Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2308 | Descriptor: | 1,2-ETHANEDIOL, 9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzoxepino[5,4-c]pyridine, AMMONIUM ION, ... | Authors: | Cros, J, Williams, E.P, Sweeney, M.N, Smil, D, Gonzalez-Alvarez, H, Al-awar, R, Bullock, A.N. | Deposit date: | 2023-01-18 | Release date: | 2023-02-01 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Discovery of Conformationally Constrained ALK2 Inhibitors. J.Med.Chem., 67, 2024
|
|
8C7W
| Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2304 | Descriptor: | 1,2-ETHANEDIOL, 6-methyl-9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydropyrido[4,3-d][2]benzazepine, Activin receptor type I, ... | Authors: | Cros, J, Williams, E.P, Sweeney, M.N, Smil, D, Gonzalez-Alvarez, H, Al-awar, R, Bullock, A.N. | Deposit date: | 2023-01-17 | Release date: | 2023-02-08 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Discovery of Conformationally Constrained ALK2 Inhibitors. J.Med.Chem., 67, 2024
|
|
7DFS
| Crystal structure of a novel 4-O-alpha-L-rhamnosyl-beta-D-glucuronidase from Fusarium oxysporum 12S - Rha-GlcA complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-alpha-L-rhamnosyl-beta-D-glucuronidase, alpha-D-mannopyranose, ... | Authors: | Kondo, T, Arakawa, T, Fushinobu, S, Sakamoto, T. | Deposit date: | 2020-11-09 | Release date: | 2021-03-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Biochemical and structural characterization of a novel 4-O-alpha-l-rhamnosyl-beta-d-glucuronidase from Fusarium oxysporum. Febs J., 288, 2021
|
|