8BZA
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![BU of 8bza by Molmil](/molmil-images/mine/8bza) | single soak stabilizer for ERa - 14-3-3 interaction (AZ555) | Descriptor: | 14-3-3 protein sigma, 4-methyl-5-phenyl-thiophene-2-carboximidamide, ERalpha peptide, ... | Authors: | Visser, E.J, Sijbesma, E, Ottmann, C. | Deposit date: | 2022-12-14 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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8C0K
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![BU of 8c0k by Molmil](/molmil-images/mine/8c0k) | fragment-linked stabilizer for ERa - 14-3-3 interaction (1075302) | Descriptor: | 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ... | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | Deposit date: | 2022-12-17 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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8BYY
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![BU of 8byy by Molmil](/molmil-images/mine/8byy) | |
8C04
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![BU of 8c04 by Molmil](/molmil-images/mine/8c04) | Co-soaked stabilizers for ERa - 14-3-3 interaction (884_AZ354) | Descriptor: | 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, ... | Authors: | Visser, E.J, Sijbesma, E, Ottmann, C. | Deposit date: | 2022-12-15 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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8C4F
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![BU of 8c4f by Molmil](/molmil-images/mine/8c4f) | Small molecule amidine soak in 14-3-3/ERa (AZ037) | Descriptor: | 14-3-3 protein sigma, 5-(cyclohexylamino)-4-phenyl-thiophene-2-carboximidamide, ERalpha peptide, ... | Authors: | Visser, E.J, Sijbesma, E, Ottmann, C. | Deposit date: | 2023-01-03 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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8BYZ
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![BU of 8byz by Molmil](/molmil-images/mine/8byz) | fragment-linked stabilizer for ERa - 14-3-3 interaction (AZ210) | Descriptor: | 14-3-3 protein sigma, 4-[(2~{S})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide, ERalpha peptide, ... | Authors: | Visser, E.J, Sijbesma, E, Ottmann, C. | Deposit date: | 2022-12-14 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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8BZ9
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![BU of 8bz9 by Molmil](/molmil-images/mine/8bz9) | single soak stabilizer for ERa - 14-3-3 interaction (AZ354) | Descriptor: | 14-3-3 protein sigma, 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, ERalpha peptide, ... | Authors: | Visser, E.J, Sijbesma, E, Ottmann, C. | Deposit date: | 2022-12-14 | Release date: | 2023-08-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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8BYO
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![BU of 8byo by Molmil](/molmil-images/mine/8byo) | fragment-linked stabilizer for ERa - 14-3-3 interaction (1074361) | Descriptor: | 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ... | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | Deposit date: | 2023-01-18 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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8BZW
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![BU of 8bzw by Molmil](/molmil-images/mine/8bzw) | Co-soaked stabilizers for ERa - 14-3-3 interaction (844_AZ210) | Descriptor: | 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-[(2~{R})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide, ... | Authors: | Visser, E.J, Sijbesma, E, Ottmann, C. | Deposit date: | 2022-12-15 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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3FYG
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![BU of 3fyg by Molmil](/molmil-images/mine/3fyg) | CRYSTAL STRUCTURE OF TETRADECA-(3-FLUOROTYROSYL)-GLUTATHIONE S-TRANSFERASE | Descriptor: | (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE, MU CLASS TETRADECA-(3-FLUOROTYROSYL)-GLUTATHIONE S-TRANSFERASE OF ISOENZYME | Authors: | Xiao, G, Parsons, J.F, Armstrong, R.N, Gilliland, G.L. | Deposit date: | 1997-08-07 | Release date: | 1999-06-01 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Conformational changes in the crystal structure of rat glutathione transferase M1-1 with global substitution of 3-fluorotyrosine for tyrosine. J.Mol.Biol., 281, 1998
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8BZC
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![BU of 8bzc by Molmil](/molmil-images/mine/8bzc) | |
7E1L
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![BU of 7e1l by Molmil](/molmil-images/mine/7e1l) | Crystal structure of apo form PhlH | Descriptor: | DUF1956 domain-containing protein | Authors: | Zhang, N, Wu, J, He, Y.X, Ge, H. | Deposit date: | 2021-02-01 | Release date: | 2022-02-02 | Last modified: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis for coordinating secondary metabolite production by bacterial and plant signaling molecules. J.Biol.Chem., 298, 2022
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7E1N
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![BU of 7e1n by Molmil](/molmil-images/mine/7e1n) | Crystal structure of PhlH in complex with 2,4-diacetylphloroglucinol | Descriptor: | 2,4-bis[(1R)-1-oxidanylethyl]benzene-1,3,5-triol, DUF1956 domain-containing protein | Authors: | Zhang, N, Wu, J, He, Y.X, Ge, H. | Deposit date: | 2021-02-02 | Release date: | 2022-02-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular basis for coordinating secondary metabolite production by bacterial and plant signaling molecules. J.Biol.Chem., 298, 2022
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6II9
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![BU of 6ii9 by Molmil](/molmil-images/mine/6ii9) | Crystal structure of H7 hemagglutinin from A/Anhui/1/2013 in complex with a human neutralizing antibody L3A-44 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of L3A-44 Fab, Hemagglutinin, ... | Authors: | Jiang, H.H, Shi, Y, Qi, J, Gao, G.F. | Deposit date: | 2018-10-03 | Release date: | 2018-10-24 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure-function analysis of neutralizing antibodies to H7N9 influenza from naturally infected humans. Nat Microbiol, 4, 2019
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6II8
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![BU of 6ii8 by Molmil](/molmil-images/mine/6ii8) | Crystal structure of H7 hemagglutinin from A/Anhui/1/2013 in complex with a human neutralizing antibody L4B-18 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of L4B-18 Fab, Hemagglutinin, ... | Authors: | Jiang, H.H, Shi, Y, Qi, J, Gao, G.F. | Deposit date: | 2018-10-03 | Release date: | 2018-10-24 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.32 Å) | Cite: | Structure-function analysis of neutralizing antibodies to H7N9 influenza from naturally infected humans. Nat Microbiol, 4, 2019
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3GST
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![BU of 3gst by Molmil](/molmil-images/mine/3gst) | STRUCTURE OF THE XENOBIOTIC SUBSTRATE BINDING SITE OF A GLUTATHIONE S-TRANSFERASE AS REVEALED BY X-RAY CRYSTALLOGRAPHIC ANALYSIS OF PRODUCT COMPLEXES WITH THE DIASTEREOMERS OF 9-(S-GLUTATHIONYL)-10-HYDROXY-9, 10-DIHYDROPHENANTHRENE | Descriptor: | (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE, GLUTATHIONE S-TRANSFERASE, SULFATE ION | Authors: | Ji, X, Ammon, H.L, Armstrong, R.N, Gilliland, G.L. | Deposit date: | 1993-06-07 | Release date: | 1993-10-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and function of the xenobiotic substrate binding site of a glutathione S-transferase as revealed by X-ray crystallographic analysis of product complexes with the diastereomers of 9-(S-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene. Biochemistry, 33, 1994
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5UVG
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![BU of 5uvg by Molmil](/molmil-images/mine/5uvg) | Crystal structure of the human neutral sphingomyelinase 2 (nSMase2) catalytic domain with insertion deleted and calcium bound | Descriptor: | CALCIUM ION, Sphingomyelin phosphodiesterase 3,Sphingomyelin phosphodiesterase 3 | Authors: | Airola, M.V, Guja, K.E, Garcia-Diaz, M, Hannun, Y.A. | Deposit date: | 2017-02-20 | Release date: | 2017-06-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.849 Å) | Cite: | Structure of human nSMase2 reveals an interdomain allosteric activation mechanism for ceramide generation. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6D15
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![BU of 6d15 by Molmil](/molmil-images/mine/6d15) | Crystal structure of KPC-2 complexed with compound 1 | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(6,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6D1F
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![BU of 6d1f by Molmil](/molmil-images/mine/6d1f) | Crystal structure of NDM-1 complexed with compound 8 | Descriptor: | ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6D1B
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![BU of 6d1b by Molmil](/molmil-images/mine/6d1b) | Crystal structure of NDM-1 complexed with compound 2 | Descriptor: | ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6D1H
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![BU of 6d1h by Molmil](/molmil-images/mine/6d1h) | Crystal structure of NDM-1 complexed with compound 11 | Descriptor: | ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6D1E
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![BU of 6d1e by Molmil](/molmil-images/mine/6d1e) | Crystal structure of NDM-1 complexed with compound 7 | Descriptor: | ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6D1K
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6D16
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![BU of 6d16 by Molmil](/molmil-images/mine/6d16) | Crystal structure of KPC-2 complexed with compound 2 | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6D1C
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![BU of 6d1c by Molmil](/molmil-images/mine/6d1c) | Crystal structure of NDM-1 complexed with compound 3 | Descriptor: | ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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