4DHU
 
 | | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | | Descriptor: | (2-{2-[(2,3-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 PROTEIN SIGMA, CHLORIDE ION, ... | | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | | Deposit date: | 2012-01-30 | | Release date: | 2013-07-31 | | Last modified: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
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4DHP
 | | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ... | | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | | Deposit date: | 2012-01-30 | | Release date: | 2013-07-31 | | Last modified: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
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4DHQ
 | | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | | Descriptor: | (2-{2-[(3-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 protein sigma, CHLORIDE ION, ... | | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | | Deposit date: | 2012-01-30 | | Release date: | 2013-07-31 | | Last modified: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
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4DHM
 | | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ... | | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | | Deposit date: | 2012-01-30 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
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4DHT
 | | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | | Descriptor: | 14-3-3 PROTEIN SIGMA, CHLORIDE ION, GLYCEROL, ... | | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | | Deposit date: | 2012-01-30 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
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4E48
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2TSA
 | | AZURIN MUTANT M121A | | Descriptor: | AZURIN, COPPER (II) ION | | Authors: | Tsai, L.-C, Bonander, N, Harata, K, Karlsson, B.G, Vanngard, T, Langer, V, Sjolin, L. | | Deposit date: | 1996-05-10 | | Release date: | 1996-11-08 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mutant Met121Ala of Pseudomonas aeruginosa azurin and its azide derivative: crystal structures and spectral properties.
Acta Crystallogr.,Sect.D, 52, 1996
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2TSB
 | | AZURIN MUTANT M121A-AZIDE | | Descriptor: | AZIDE ION, AZURIN AZIDE, COPPER (II) ION | | Authors: | Tsai, L.-C, Bonander, N, Harata, K, Karlsson, B.G, Vanngard, T, Langer, V, Sjolin, L. | | Deposit date: | 1996-05-10 | | Release date: | 1996-11-08 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mutant Met121Ala of Pseudomonas aeruginosa azurin and its azide derivative: crystal structures and spectral properties.
Acta Crystallogr.,Sect.D, 52, 1996
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2VNV
 | | Crystal structure of BclA lectin from burkholderia cenocepacia in complex with alpha-methyl-mannoside at 1.7 Angstrom resolution | | Descriptor: | BCLA, CALCIUM ION, SULFATE ION, ... | | Authors: | Lameignere, E, Malinovska, L, Mitchell, E.P, Imberty, A, Wimmerova, M. | | Deposit date: | 2008-02-07 | | Release date: | 2008-04-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis for Mannose Recognition by a Lectin from Opportunistic Bacteria Burkholderia Cenocepacia
Biochem.J., 411, 2008
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9EXY
 | | Crystal structure of the PWWP1 domain of NSD2 bound by compound 34. | | Descriptor: | 7-[5-methyl-3-[2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1,2-oxazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, Histone-lysine N-methyltransferase NSD2 | | Authors: | Collie, G.W. | | Deposit date: | 2024-04-09 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches.
J.Med.Chem., 67, 2024
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9EXW
 | | Crystal structure of the PWWP1 domain of NSD2 bound by compound 17. | | Descriptor: | 1,2-ETHANEDIOL, 7-[3-methyl-5-[2-methyl-5-[(pyridin-3-ylamino)methyl]phenyl]imidazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, Histone-lysine N-methyltransferase NSD2 | | Authors: | Collie, G.W. | | Deposit date: | 2024-04-09 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches.
J.Med.Chem., 67, 2024
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6XCB
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6XCC
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6XCD
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6XCE
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6XCF
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3LAQ
 | | Structure-based engineering of species selectivity in the uPA-uPAR interaction | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor, Urokinase-type plasminogen activator | | Authors: | Huang, M. | | Deposit date: | 2010-01-06 | | Release date: | 2010-02-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure-based engineering of species selectivity in the interaction between urokinase and its receptor: implication for preclinical cancer therapy.
J.Biol.Chem., 285, 2010
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2PQS
 | | Crystal Structure of the Bovine Lactadherin C2 Domain | | Descriptor: | Lactadherin | | Authors: | Huang, M, Furie, B.C. | | Deposit date: | 2007-05-02 | | Release date: | 2007-08-07 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the bovine lactadherin C2 domain, a membrane binding motif, shows similarity to the C2 domains of factor V and factor VIII.
J.Mol.Biol., 371, 2007
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6TI5
 | | A New Structural Model of Abeta(1-40) Fibrils | | Descriptor: | Amyloid-beta precursor protein | | Authors: | Bertini, I, Gonnelli, L, Luchinat, C, Mao, J, Nesi, A. | | Deposit date: | 2019-11-21 | | Release date: | 2020-07-22 | | Last modified: | 2024-06-19 | | Method: | SOLID-STATE NMR | | Cite: | Mixing A beta (1-40) and A beta (1-42) peptides generates unique amyloid fibrils.
Chem.Commun.(Camb.), 56, 2020
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3P8X
 | | Synthesis, Structure, and Biological Activity of des-Side Chain Analogues of 1alpha,25-Dihydroxyvitamin D3 with Substituents at C-18 | | Descriptor: | (1R,3S,5Z)-5-{(2E)-2-[(3aR,7aS)-7a-(7-hydroxy-7-methyloctyl)octahydro-4H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol, SULFATE ION, Vitamin D3 receptor | | Authors: | Rochel, N, Sato, Y, Moras, D. | | Deposit date: | 2010-10-15 | | Release date: | 2011-08-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Synthesis, Structure, and Biological Activity of des-Side Chain Analogues of 1 ,25-Dihydroxyvitamin D3 with Substituents at C-18
Chemmedchem, 6, 2011
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9EXX
 | | Crystal structure of the PWWP1 domain of NSD2 bound by compound 18. | | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[1-methyl-5-(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)imidazol-4-yl]-~{N}-phenyl-benzamide, ETHANOL, ... | | Authors: | Collie, G.W. | | Deposit date: | 2024-04-09 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.943 Å) | | Cite: | Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches.
J.Med.Chem., 67, 2024
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7TM3
 | | Structure of the rabbit 80S ribosome stalled on a 2-TMD Rhodopsin intermediate in complex with the multipass translocon | | Descriptor: | 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | | Authors: | Kim, M.K, Lewis, A.J.O, Keenan, R.J, Hegde, R.S. | | Deposit date: | 2022-01-19 | | Release date: | 2022-10-19 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Mechanism of an intramembrane chaperone for multipass membrane proteins.
Nature, 611, 2022
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7TUT
 | | Structure of the rabbit 80S ribosome stalled on a 4-TMD Rhodopsin intermediate in complex with the multipass translocon | | Descriptor: | 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | | Authors: | Kim, M.K, Lewis, A.J.O, Keenan, R.J, Hegde, R.S. | | Deposit date: | 2022-02-03 | | Release date: | 2022-10-19 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.88 Å) | | Cite: | Mechanism of an intramembrane chaperone for multipass membrane proteins.
Nature, 611, 2022
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6DNA
 | | Crystal structure of T110A mutant human Glutamate oxaloacetate transaminase 1 (GOT1) | | Descriptor: | Aspartate aminotransferase, cytoplasmic, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Assar, Z, Holt, M.C, Stein, A.J, Lairson, L, Lyssiotis, C.A. | | Deposit date: | 2018-06-06 | | Release date: | 2018-11-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Biochemical Characterization and Structure-Based Mutational Analysis Provide Insight into the Binding and Mechanism of Action of Novel Aspartate Aminotransferase Inhibitors.
Biochemistry, 57, 2018
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6DND
 | | Crystal structure of wild-type (WT) human Glutamate oxaloacetate transaminase 1 (GOT1) | | Descriptor: | Aspartate aminotransferase, cytoplasmic, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Assar, Z, Holt, M.C, Stein, A.J, Lairson, L, Lyssiotis, C.A. | | Deposit date: | 2018-06-06 | | Release date: | 2018-11-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Biochemical Characterization and Structure-Based Mutational Analysis Provide Insight into the Binding and Mechanism of Action of Novel Aspartate Aminotransferase Inhibitors.
Biochemistry, 57, 2018
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