5YQT
 
 | | Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclopentene oxide | | Descriptor: | (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase | | Authors: | Kong, X.D, Sun, Z.T, Wu, L, Reetz, M.T, Zhou, J.H, Xu, J.H. | | Deposit date: | 2017-11-07 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations.
J. Am. Chem. Soc., 140, 2018
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5YAO
 | | The complex structure of SZ529 and expoxid | | Descriptor: | (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase, SODIUM ION | | Authors: | Lian, W, Sun, Z.T, Zhou, J.H, Reetz, M.T. | | Deposit date: | 2017-09-01 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.611 Å) | | Cite: | Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations
J. Am. Chem. Soc., 140, 2018
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6UP7
 | | neurotensin receptor and arrestin2 complex | | Descriptor: | ARG-ARG-PRO-TYR-ILE-LEU, Beta-arrestin-1, Neurotensin receptor type 1, ... | | Authors: | Qu, Q.H, Huang, W, Masureel, M, Janetzko, J, Kobilka, B.K, Skiniotis, G. | | Deposit date: | 2019-10-16 | | Release date: | 2020-02-26 | | Last modified: | 2020-06-17 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structure of the neurotensin receptor 1 in complex with beta-arrestin 1.
Nature, 579, 2020
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8CN0
 | | Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with Coenzyme A | | Descriptor: | COENZYME A, ZINC ION, histone acetyltransferase | | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | | Deposit date: | 2023-02-21 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with Coenzyme A
To Be Published
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8CNB
 | | Crystal structure of CREBBP-Y1503C histone acetyltransferase domain in complex with Coenzyme A | | Descriptor: | COENZYME A, ZINC ION, histone acetyltransferase | | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | | Deposit date: | 2023-02-22 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.986 Å) | | Cite: | Crystal structure of CREBBP-Y1503C histone acetyltransferase domain in complex with Coenzyme A
To Be Published
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8CNA
 | | Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA | | Descriptor: | ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate, histone acetyltransferase | | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | | Deposit date: | 2023-02-22 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.463 Å) | | Cite: | Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
To Be Published
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8CMZ
 | | Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with Coenzyme A | | Descriptor: | COENZYME A, ZINC ION, histone acetyltransferase | | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | | Deposit date: | 2023-02-21 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.252 Å) | | Cite: | Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with Coenzyme A
To Be Published
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8CND
 | | Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA | | Descriptor: | ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate, histone acetyltransferase | | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | | Deposit date: | 2023-02-22 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.972 Å) | | Cite: | Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
To Be Published
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6V6A
 | | Inhibitory scaffolding of the ancient MAPK, ERK7 | | Descriptor: | 1,2-ETHANEDIOL, Apical Cap Protein 9 (AC9), Mitogen-activated protein kinase | | Authors: | Dewangan, P.S, O'Shaughnessy, W.J, Back, P.S, Hu, X, Bradley, P.J, Reese, M.L. | | Deposit date: | 2019-12-04 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Ancient MAPK ERK7 is regulated by an unusual inhibitory scaffold required forToxoplasmaapical complex biogenesis.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5YNG
 | | Crystal structure of SZ348 in complex with cyclopentene oxide | | Descriptor: | (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase, NICKEL (II) ION, ... | | Authors: | Wu, L, Sun, Z.T, Reetz, M.T, Zhou, J.H. | | Deposit date: | 2017-10-24 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.497 Å) | | Cite: | Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations.
J. Am. Chem. Soc., 140, 2018
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8W0S
 | | Human EBP complexed with compound 3a | | Descriptor: | 1-methyl-8-[(oxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione, 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | | Authors: | Sun, D, Masureel, M. | | Deposit date: | 2024-02-14 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Discovery and Optimization of Selective Brain-Penetrant EBP Inhibitors that Enhance Oligodendrocyte Formation.
J.Med.Chem., 67, 2024
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8W0R
 | | Human EBP complexed with compound 1 | | Descriptor: | 1-methyl-1'-[(oxan-4-yl)methyl]-5-(trifluoromethyl)spiro[indole-2,4'-piperidin]-3(1H)-one, 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | | Authors: | Sun, D, Masureel, M. | | Deposit date: | 2024-02-14 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Discovery and Optimization of Selective Brain-Penetrant EBP Inhibitors that Enhance Oligodendrocyte Formation.
J.Med.Chem., 67, 2024
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8UD6
 | | Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with cresomycin, mRNA, deacylated A-site tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.70A resolution | | Descriptor: | (4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-13-oxa-2-thiabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Aleksandrova, E.V, Syroegin, E.A, Wu, K.J.Y, Tresco, B.I.C, Ramkissoon, A, See, D.N.Y, Liow, P, Dittemore, G.A, Yu, M, Testolin, G, Mitcheltree, M.J, Liu, R.Y, Svetlov, M.S, Myers, A.G, Polikanov, Y.S. | | Deposit date: | 2023-09-28 | | Release date: | 2024-02-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | An antibiotic preorganized for ribosomal binding overcomes antimicrobial resistance.
Science, 383, 2024
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8UD7
 | | Crystal structure of the A2058-N6-dimethylated Thermus thermophilus 70S ribosome in complex with cresomycin, mRNA, deacylated A-site tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.70A resolution | | Descriptor: | (4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-13-oxa-2-thiabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Aleksandrova, E.V, Syroegin, E.A, Wu, K.J.Y, Tresco, B.I.C, Ramkissoon, A, See, D.N.Y, Liow, P, Dittemore, G.A, Yu, M, Testolin, G, Mitcheltree, M.J, Liu, R.Y, Svetlov, M.S, Myers, A.G, Polikanov, Y.S. | | Deposit date: | 2023-09-28 | | Release date: | 2024-02-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | An antibiotic preorganized for ribosomal binding overcomes antimicrobial resistance.
Science, 383, 2024
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8UD8
 | | Crystal structure of the A2503-C2,C8-dimethylated Thermus thermophilus 70S ribosome in complex with cresomycin, mRNA, deacylated A-site tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.70A resolution | | Descriptor: | (4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-13-oxa-2-thiabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Aleksandrova, E.V, Syroegin, E.A, Wu, K.J.Y, Tresco, B.I.C, Ramkissoon, A, See, D.N.Y, Liow, P, Dittemore, G.A, Yu, M, Testolin, G, Mitcheltree, M.J, Liu, R.Y, Svetlov, M.S, Myers, A.G, Polikanov, Y.S. | | Deposit date: | 2023-09-28 | | Release date: | 2024-02-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | An antibiotic preorganized for ribosomal binding overcomes antimicrobial resistance.
Science, 383, 2024
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8TLM
 | | Structure of a class A GPCR/Fab complex | | Descriptor: | C-C chemokine receptor type 8, Green fluorescent protein fusion, Fab heavy chain, ... | | Authors: | Sun, D, Johnson, M, Masureel, M. | | Deposit date: | 2023-07-27 | | Release date: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis of antibody inhibition and chemokine activation of the human CC chemokine receptor 8.
Nat Commun, 14, 2023
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6UIY
 | | Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases | | Descriptor: | ACETATE ION, Streptavidin, {5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-{[(pyridin-2-yl)methyl][(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)pentanamide}iron(2+) | | Authors: | Miller, K.R, Paretsky, J.D, Follmer, A.H, Heinisch, T, Mittra, K, Gul, S, Kim, I.-S, Fuller, F.D, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bhowmick, A, Sauter, N.K, Kern, J, Yano, J, Green, M.T, Ward, T.R, Borovik, A.S. | | Deposit date: | 2019-10-01 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases.
Inorg.Chem., 59, 2020
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6UIU
 | | Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases | | Descriptor: | N-(2-{bis[(pyridin-2-yl)methyl]amino}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide, Streptavidin | | Authors: | Miller, K.R, Paretsky, J.D, Follmer, A.H, Heinisch, T, Mittra, K, Gul, S, Kim, I.-S, Fuller, F.D, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bhowmick, A, Sauter, N.K, Kern, J, Yano, J, Green, M.T, Ward, T.R, Borovik, A.S. | | Deposit date: | 2019-10-01 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases.
Inorg.Chem., 59, 2020
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6US6
 | | Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases | | Descriptor: | ACETATE ION, Streptavidin, {N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+) | | Authors: | Miller, K.R, Paretsky, J.D, Follmer, A.H, Heinisch, T, Mittra, K, Gul, S, Kim, I.-S, Fuller, F.D, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bhowmick, A, Sauter, N.K, Kern, J, Yano, J, Green, M.T, Ward, T.R, Borovik, A.S. | | Deposit date: | 2019-10-24 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases.
Inorg.Chem., 59, 2020
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8U1U
 | | Structure of a class A GPCR/agonist complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C-C motif chemokine 1,C-C chemokine receptor type 8,EGFP fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Sun, D, Johnson, M, Masureel, M. | | Deposit date: | 2023-09-02 | | Release date: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis of antibody inhibition and chemokine activation of the human CC chemokine receptor 8.
Nat Commun, 14, 2023
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4XLL
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6UIZ
 | | Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases | | Descriptor: | ACETATE ION, Streptavidin, {N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(triaza-1,2-dien-2-ium-1-ide-kappaN~1~)iron(4+) | | Authors: | Miller, K.R, Paretsky, J.D, Follmer, A.H, Heinisch, T, Mittra, K, Gul, S, Kim, I.-S, Fuller, F.D, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bhowmick, A, Sauter, N.K, Kern, J, Yano, J, Green, M.T, Ward, T.R, Borovik, A.S. | | Deposit date: | 2019-10-01 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases.
Inorg.Chem., 59, 2020
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8U32
 | | Crystal structure of PD-1 in complex with a Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ... | | Authors: | Sun, D, Masureel, M. | | Deposit date: | 2023-09-07 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structure- and machine learning-guided engineering demonstrate that a non-canonical disulfide in an anti-PD-1 rabbit antibody does not impede antibody developability.
Mabs, 16, 2024
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6VEA
 | | Structure of the Glutamate-Like Receptor GLR3.2 ligand-binding domain in complex with Glycine | | Descriptor: | BETA-MERCAPTOETHANOL, GLYCINE, Glutamate receptor 3.2, ... | | Authors: | Gangwar, S.P, Green, M.N, Yoder, J.B, Sobolevsky, A.I. | | Deposit date: | 2019-12-30 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structure of the Arabidopsis Glutamate Receptor-like Channel GLR3.2 Ligand-Binding Domain.
Structure, 29, 2021
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6VE8
 | | Structure of the Glutamate-Like Receptor GLR3.2 ligand-binding domain in complex with Methionine | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Gangwar, S.P, Green, M.N, Yoder, J.B, Sobolevsky, A.I. | | Deposit date: | 2019-12-30 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure of the Arabidopsis Glutamate Receptor-like Channel GLR3.2 Ligand-Binding Domain.
Structure, 29, 2021
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