8BZB
 
 | | co-soak stabilizers for ERa - 14-3-3 interaction (884_AZ275) | | Descriptor: | 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-ethoxy-1-benzothiophene-2-carboximidamide, ... | | 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 (1.7 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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8BZ0
 | | single soak stabilizer for ERa - 14-3-3 interaction (AZ275) | | Descriptor: | 14-3-3 protein sigma, 4-ethoxy-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 (1.2 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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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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8C4G
 | | Small molecule amidine soak in 14-3-3/ERa (AZ132) | | Descriptor: | 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ... | | 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 (1.46 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
 | | 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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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
 | | 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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3QW3
 | | Structure of Leishmania donovani OMP decarboxylase | | Descriptor: | Orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative (Ompdcase-oprtase, putative), ... | | Authors: | French, J.B, Ealick, S.E. | | Deposit date: | 2011-02-26 | | Release date: | 2011-04-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Leishmania donovani UMP synthase is essential for promastigote viability and has an unusual tetrameric structure that exhibits substrate-controlled oligomerization.
J.Biol.Chem., 286, 2011
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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
 | | 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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2ZYZ
 | | Pyrobaculum aerophilum splicing endonuclease | | Descriptor: | Putative uncharacterized protein PAE0789, tRNA-splicing endonuclease | | Authors: | Yoshinari, S, Inaoka, D.K, Watanabe, Y, Shiba, T, Kurisu, G, Harada, S. | | Deposit date: | 2009-01-30 | | Release date: | 2009-06-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Functional importance of crenarchaea-specific extra-loop revealed by an X-ray structure of a heterotetrameric crenarchaeal splicing endonuclease
Nucleic Acids Res., 37, 2009
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5BT1
 | | histone chaperone Hif1 playing with histone H2A-H2B dimer | | Descriptor: | HAT1-interacting factor 1, Histone H2A.1, Histone H2B.1 | | Authors: | Liu, H, Zhang, M, Gao, Y, Teng, M, Niu, L. | | Deposit date: | 2015-06-02 | | Release date: | 2016-10-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structural Insights into the Association of Hif1 with Histones H2A-H2B Dimer and H3-H4 Tetramer
Structure, 24, 2016
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2ZXZ
 | | Crystal structure of the human RXR alpha ligand binding domain bound to a synthetic agonist compound and a coactivator peptide | | Descriptor: | 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid, GRIP1 from Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Sato, Y, Antony, P, Rochel, N, Moras, D, Structural Genomics Consortium for Research on Gene Expression (SGCGES) | | Deposit date: | 2009-01-09 | | Release date: | 2009-08-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Silicon analogues of the RXR-selective retinoid agonist SR11237 (BMS649): chemistry and biology
Chemmedchem, 4, 2009
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6V1X
 | | Cryo-EM Structure of the Hyperpolarization-Activated Potassium Channel KAT1: Tetramer | | Descriptor: | (2S)-1-(nonanoyloxy)-3-(phosphonooxy)propan-2-yl tetradecanoate, (3beta,5beta,14beta,17alpha)-cholestan-3-ol, Potassium channel KAT1 | | Authors: | Clark, M.D, Contreras, G.F, Shen, R, Perozo, E. | | Deposit date: | 2019-11-21 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Electromechanical coupling in the hyperpolarization-activated K + channel KAT1.
Nature, 583, 2020
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4D8Z
 | | Crystal structure of B. anthracis DHPS with compound 24 | | Descriptor: | (3R)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid, Dihydropteroate Synthase, SULFATE ION | | Authors: | Hammoudeh, D, Lee, R.E, White, S.W. | | Deposit date: | 2012-01-11 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.198 Å) | | Cite: | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
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7UG2
 | | Crystal structure of the coiled-coil domain of TRIM75 | | Descriptor: | ACETYL GROUP, ISOPROPYL ALCOHOL, Tripartite motif-containing protein 75 | | Authors: | Lou, X.H, Ma, B.B, Zhuang, Y, Li, X.C. | | Deposit date: | 2022-03-23 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.052 Å) | | Cite: | Structural studies of the coiled-coil domain of TRIM75 reveal a tetramer architecture facilitating its E3 ligase complex.
Comput Struct Biotechnol J, 20, 2022
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8UP6
 | | Structure of atypical asparaginase from Rhodospirillum rubrum (mutant K19A) in complex with L-Asp | | Descriptor: | ASPARTIC ACID, Asparaginase, TETRAETHYLENE GLYCOL | | Authors: | Lubkowski, J, Wlodawer, A, Zhang, D. | | Deposit date: | 2023-10-21 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases.
Protein Sci., 33, 2024
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8UP8
 | | Structure of atypical asparaginase from Rhodospirillum rubrum (mutant Y21F, complex with L-Asp) | | Descriptor: | ASPARTIC ACID, Asparaginase, CHLORIDE ION, ... | | Authors: | Lubkowski, J, Wlodawer, A, Zhang, D. | | Deposit date: | 2023-10-21 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases.
Protein Sci., 33, 2024
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4D9P
 | | Crystal structure of B. anthracis DHPS with compound 17 | | Descriptor: | (3R)-3-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid, Dihydropteroate Synthase, SULFATE ION | | Authors: | Hammoudeh, D, Lee, R.E, White, S.W. | | Deposit date: | 2012-01-11 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
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4D8A
 | | Crystal structure of B. anthracis DHPS with compound 21 | | Descriptor: | Dihydropteroate synthase, LYSINE, SULFATE ION, ... | | Authors: | Hammoudeh, D, Lee, R.E, White, S.W. | | Deposit date: | 2012-01-10 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.183 Å) | | Cite: | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
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8BYG
 | | fragment-linked stabilizer for ERa - 14-3-3 interaction (1047648) | | Descriptor: | 14-3-3 protein sigma, ERalpha peptide, ~{N}-[2-[(2-carbamimidoyl-1-benzothiophen-4-yl)-methyl-amino]ethyl]-2-(4-chloranylphenoxy)-~{N},2-dimethyl-propanamide | | Authors: | Visser, E.J, Sijbesma, E, Ottmann, C. | | Deposit date: | 2022-12-12 | | Release date: | 2023-08-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 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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8IE2
 | | Crystal structure of Lactiplantibacillus plantarum GlyRS | | Descriptor: | Glycine--tRNA ligase alpha subunit, Glycine--tRNA ligase beta subunit | | Authors: | Yamashita, S, Tomita, K. | | Deposit date: | 2023-02-15 | | Release date: | 2023-06-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Mechanism of tRNA recognition by heterotetrameric glycyl-tRNA synthetase from lactic acid bacteria.
J.Biochem., 174, 2023
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3CG9
 | | Crystal structure of the complex of peptidoglycan recognition protein with methyloxane-2,3,4,5-tetrol at 2.9 A resolution | | Descriptor: | L(+)-TARTARIC ACID, Peptidoglycan recognition protein, alpha-L-rhamnopyranose | | Authors: | Sharma, P, Kaur, A, Singh, N, Sharma, S, Bhushan, A, Pathak, K.M.L, Kaur, P, Singh, T.P. | | Deposit date: | 2008-03-05 | | Release date: | 2008-04-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of the complex of peptidoglycan recognition protein with methyoxane-2,3,4,5-tetrol at 2.9 A resolution
To be Published
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3KL3
 | | Crystal structure of Ligand bound XynC | | Descriptor: | D-HISTIDINE, Glucuronoxylanase xynC, TETRAETHYLENE GLYCOL, ... | | Authors: | St John, F.J, Hurlbert, J.C, Pozharski, E. | | Deposit date: | 2009-11-06 | | Release date: | 2010-12-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Ligand bound structures of a glycosyl hydrolase family 30 glucuronoxylan xylanohydrolase.
J.Mol.Biol., 407, 2011
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