7ZWP
| Crystal structure of human BCL6 BTB domain in complex with compound 7 | Descriptor: | 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ... | Authors: | Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2022-05-19 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
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7ZWT
| Crystal structure of human BCL6 BTB domain in complex with compound 14 | Descriptor: | 1,2-ETHANEDIOL, 2-[(2-chlorophenyl)amino]-~{N}-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide, B-cell lymphoma 6 protein, ... | Authors: | Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2022-05-19 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
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7ZWZ
| Crystal structure of human BCL6 BTB domain in complex with compound 22 | Descriptor: | 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ... | Authors: | Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2022-05-19 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
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7ZMJ
| SFX structure of dye-type peroxidase DtpB R243A variant in the ferric state | Descriptor: | MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, Putative dye-decolorizing peroxidase (DyP), ... | Authors: | Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Axford, D.A, Owen, R.L, Tosha, T, Sugimoto, H, Owada, S. | Deposit date: | 2022-04-19 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase DtpB. Acs Catalysis, 12, 2022
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8FRR
| Wild-type myocilin olfactomedin domain | Descriptor: | CALCIUM ION, GLYCEROL, Myocilin, ... | Authors: | Ma, M.T, Lieberman, R.L, Huard, D.J.E. | Deposit date: | 2023-01-08 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Competition between inside-out unfolding and pathogenic aggregation in an amyloid-forming beta-propeller. Nat Commun, 15, 2024
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1HFP
| COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE | Descriptor: | DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A. | Deposit date: | 1997-11-04 | Release date: | 1998-01-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Comparison of ternary crystal complexes of F31 variants of human dihydrofolate reductase with NADPH and a classical antitumor furopyrimidine. Anti-Cancer Drug Des., 13, 1998
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1HFR
| COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE | Descriptor: | DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A. | Deposit date: | 1997-11-04 | Release date: | 1998-01-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Comparison of ternary crystal complexes of F31 variants of human dihydrofolate reductase with NADPH and a classical antitumor furopyrimidine. Anti-Cancer Drug Des., 13, 1998
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8GJV
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8GEL
| Cryo-EM structure of synthetic tetrameric building block sC4 | Descriptor: | sC4 | Authors: | Redler, R.L, Huddy, T.F, Hsia, Y, Baker, D, Ekiert, D, Bhabha, G. | Deposit date: | 2023-03-07 | Release date: | 2024-03-13 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Blueprinting extendable nanomaterials with standardized protein blocks. Nature, 627, 2024
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8HVP
| STRUCTURE AT 2.5-ANGSTROMS RESOLUTION OF CHEMICALLY SYNTHESIZED HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE COMPLEXED WITH A HYDROXYETHYLENE*-BASED INHIBITOR | Descriptor: | HIV-1 PROTEASE, INHIBITOR VAL-SER-GLN-ASN-LEU-PSI(CH(OH)-CH2)-VAL-ILE-VAL (U-85548E) | Authors: | Jaskolski, M, Miller, M, Tomasselli, A.G, Sawyer, T.K, Staples, D.G, Heinrikson, R.L, Schneider, J, Kent, S.B.H, Wlodawer, A. | Deposit date: | 1990-10-26 | Release date: | 1993-10-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure at 2.5-A resolution of chemically synthesized human immunodeficiency virus type 1 protease complexed with a hydroxyethylene-based inhibitor. Biochemistry, 30, 1991
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1HDS
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1HFQ
| COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE | Descriptor: | DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A. | Deposit date: | 1997-11-04 | Release date: | 1998-01-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Comparison of ternary crystal complexes of F31 variants of human dihydrofolate reductase with NADPH and a classical antitumor furopyrimidine. Anti-Cancer Drug Des., 13, 1998
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1QOU
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8FR5
| Crystal structure of the Human Smacovirus 1 Rep domain | Descriptor: | MANGANESE (II) ION, Rep, SODIUM ION | Authors: | Limon, L.K, Shi, K, Dao, A, Rugloski, J, Tompkins, K.J, Aihara, H, Gordon, W.R, Evans IIII, R.L. | Deposit date: | 2023-01-06 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | The crystal structure of the human smacovirus 1 Rep domain. Acta Crystallogr.,Sect.F, 79, 2023
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1PNT
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8F9X
| Cyclase-PTE | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Ji, D, Frkic, R.L, Jackson, C.J. | Deposit date: | 2022-11-24 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Cyclase-PTE To Be Published
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8GLT
| Backbone model of de novo-designed chlorophyll-binding nanocage O32-15 | Descriptor: | C2-chlorophyll-comp_O32-15_ctermHis, polyalanine model, C3-comp_O32-15 | Authors: | Redler, R.L, Ennist, N.M, Wang, S, Baker, D, Ekiert, D.C, Bhabha, G. | Deposit date: | 2023-03-23 | Release date: | 2024-03-27 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (6.5 Å) | Cite: | De novo design of proteins housing excitonically coupled chlorophyll special pairs. Nat.Chem.Biol., 20, 2024
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1D2A
| CRYSTAL STRUCTURE OF A YEAST LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LTP1) COMPLEXED WITH THE ACTIVATOR ADENINE | Descriptor: | ADENINE, CHLORIDE ION, PHOSPHATE ION, ... | Authors: | Wang, S, Stauffacher, C.V, Van Etten, R.L. | Deposit date: | 1999-09-22 | Release date: | 2000-03-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and mechanistic basis for the activation of a low-molecular weight protein tyrosine phosphatase by adenine. Biochemistry, 39, 2000
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7ZWV
| Crystal structure of human BCL6 BTB domain in complex with compound 17 | Descriptor: | 1,2-ETHANEDIOL, 1,3-dimethyl-5-[[6-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]benzimidazol-2-one, ALA-TRP-VAL-ILE-PRO-ALA, ... | Authors: | Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2022-05-19 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
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7ZWQ
| Crystal structure of human BCL6 BTB domain in complex with compound 10 | Descriptor: | 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, DIMETHYL SULFOXIDE, ... | Authors: | Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2022-05-19 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
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7ZWY
| Crystal structure of human BCL6 BTB domain in complex with compound 21 | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[(phenylmethyl)amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | Authors: | Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2022-05-19 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
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7ZWN
| Crystal structure of human BCL6 BTB domain in complex with a WVIP peptide | Descriptor: | 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ... | Authors: | Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2022-05-19 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
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7ZWO
| Crystal structure of human BCL6 BTB domain in complex with compound 2 | Descriptor: | (5~{S},7~{R})-5-(4-chlorophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine, 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, ... | Authors: | Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2022-05-19 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
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7ZWS
| Crystal structure of human BCL6 BTB domain in complex with compound 13 | Descriptor: | 1,2-ETHANEDIOL, 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid, ALA-TRP-VAL-ILE-PRO-ALA, ... | Authors: | Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2022-05-19 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
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7ZWW
| Crystal structure of human BCL6 BTB domain in complex with compound 18 | Descriptor: | 1,2-ETHANEDIOL, 1,3-dimethyl-5-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzimidazol-2-one, B-cell lymphoma 6 protein | Authors: | Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2022-05-19 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
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