3KAI
| Structure-guided design of alpha-amino acid-derived Pin1 inhibitors | Descriptor: | (2R)-2-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]-3-naphthalen-2-yl-propanoic acid, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D. | Deposit date: | 2009-10-19 | Release date: | 2009-12-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Bioorg.Med.Chem.Lett., 20, 2010
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3JVI
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7QGW
| Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Calpeptin, ... | Authors: | Loboda, J, Karnicar, K, Lindic, N, Usenik, A, Lieske, J, Meents, A, Guenther, S, Reinke, P.Y.A, Falke, S, Ewert, W, Turk, D. | Deposit date: | 2021-12-10 | Release date: | 2022-12-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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3K04
| Crystal Structure of CNG mimicking NaK mutant, NaK-DTPP, Na+ complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein NaK, SODIUM ION | Authors: | Jiang, Y, Derebe, M.G. | Deposit date: | 2009-09-24 | Release date: | 2011-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural studies of ion permeation and Ca2+ blockage of a bacterial channel mimicking the cyclic nucleotide-gated channel pore. Proc.Natl.Acad.Sci.USA, 108, 2011
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6U6K
| BRD4-BD1 in complex with the cyclic peptide 3.1_3 | Descriptor: | Bromodomain-containing protein 4, cyclic peptide 3.1_3 | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | Deposit date: | 2019-08-30 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Cyclic peptides can engage a single binding pocket through highly divergent modes. Proc.Natl.Acad.Sci.USA, 117, 2020
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6U71
| BRD2-BD2 in complex with the cyclic peptide 3.1_3 | Descriptor: | Bromodomain-containing protein 2, cyclic peptide 3.1_3 | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | Deposit date: | 2019-08-31 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Cyclic peptides can engage a single binding pocket through highly divergent modes. Proc.Natl.Acad.Sci.USA, 117, 2020
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6U8G
| BRD4-BD2 in complex with the cyclic peptide 3.1_2_AcK7toA | Descriptor: | Bromodomain-containing protein 4, cyclic peptide 3.1_2_AcK7toA | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P, Mouradian, K.S. | Deposit date: | 2019-09-05 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Cyclic peptides can engage a single binding pocket through highly divergent modes. Proc.Natl.Acad.Sci.USA, 117, 2020
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6U72
| BRD4-BD1 in complex with the cyclic peptide 3.1_2_AcK5toA | Descriptor: | 3.1_2_AcK5toA, AMINO GROUP, Bromodomain-containing protein 4 | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P, Mouradian, K.S. | Deposit date: | 2019-08-31 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cyclic peptides can engage a single binding pocket through highly divergent modes. Proc.Natl.Acad.Sci.USA, 117, 2020
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6U4A
| BRD3-BD1 in complex with the cyclic peptide 3.1_3 | Descriptor: | Bromodomain-containing protein 3, GLYCEROL, SULFATE ION, ... | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | Deposit date: | 2019-08-24 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Cyclic peptides can engage a single binding pocket through highly divergent modes. Proc.Natl.Acad.Sci.USA, 117, 2020
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8R8R
| Cryo-EM structure of the human mPSF with PAPOA C-terminus peptide (PAPOAc) | Descriptor: | Cleavage and polyadenylation specificity factor subunit 1, Cleavage and polyadenylation specificity factor subunit 4, RNA (5'-R(P*AP*AP*UP*AP*AP*A)-3'), ... | Authors: | Todesca, S, Sandmeir, F, Keidel, A, Conti, E. | Deposit date: | 2023-11-29 | Release date: | 2024-04-10 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Molecular basis of human poly(A) polymerase recruitment by mPSF. Rna, 30, 2024
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6UAV
| Crystal structure of a GH128 (subgroup II) endo-beta-1,3-glucanase from Pseudomonas viridiflava (PvGH128_II) | Descriptor: | GLYCEROL, Glyco_hydro_cc domain-containing protein, SULFATE ION | Authors: | Santos, C.R, Costa, P.A.C.R, Lima, E.A, Mandelli, F, Murakami, M.T. | Deposit date: | 2019-09-11 | Release date: | 2020-05-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nat.Chem.Biol., 16, 2020
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6UB1
| Crystal structure of a GH128 (subgroup III) curdlan-specific exo-beta-1,3-glucanase from Blastomyces gilchristii (BgGH128_III) in complex with laminaribiose at -3 and -2 subsites | Descriptor: | GLYCOSIDE HYDROLASE, beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose | Authors: | Costa, P.A.C.R, Santos, C.R, Domingues, M.N, Lima, E.A, Mandelli, F, Murakami, M.T. | Deposit date: | 2019-09-11 | Release date: | 2020-05-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nat.Chem.Biol., 16, 2020
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3JYO
| Quinate dehydrogenase from Corynebacterium glutamicum in complex with NAD | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Quinate/shikimate dehydrogenase | Authors: | Hoeppner, A, Niefind, K, Schomburg, D. | Deposit date: | 2009-09-22 | Release date: | 2010-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Enzyme-substrate complexes of the quinate/shikimate dehydrogenase from Corynebacterium glutamicum enable new insights in substrate and cofactor binding, specificity, and discrimination. Biol.Chem., 394, 2013
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6U69
| Crystal structure of Yck2 from Candida albicans, apoenzyme | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-08-29 | Release date: | 2019-10-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Overcoming Fungal Echinocandin Resistance through Inhibition of the Non-essential Stress Kinase Yck2. Cell Chem Biol, 27, 2020
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3K4Q
| Aspergillus niger Phytase in complex with myo-inositol hexakis sulfate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-phytase A, D-MYO-INOSITOL-HEXASULPHATE | Authors: | Oakley, A.J. | Deposit date: | 2009-10-06 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of Aspergillus niger phytase PhyA in complex with a phytate mimetic Biochem.Biophys.Res.Commun., 397, 2010
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6UB3
| Crystal structure of a GH128 (subgroup IV) endo-beta-1,3-glucanase from Lentinula edodes (LeGH128_IV) with laminaribiose at the surface-binding site | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, SULFATE ION, ... | Authors: | Santos, C.R, Lima, E.A, Mandelli, F, Murakami, M.T. | Deposit date: | 2019-09-11 | Release date: | 2020-05-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nat.Chem.Biol., 16, 2020
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3J95
| Structure of ADP-bound N-ethylmaleimide sensitive factor determined by single particle cryoelectron microscopy | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Vesicle-fusing ATPase | Authors: | Zhao, M, Wu, S, Cheng, Y, Brunger, A.T. | Deposit date: | 2014-12-05 | Release date: | 2015-01-28 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (7.6 Å) | Cite: | Mechanistic insights into the recycling machine of the SNARE complex. Nature, 518, 2015
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3JBS
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6UAR
| Crystal structure of a GH128 (subgroup I) endo-beta-1,3-glucanase from Amycolatopsis mediterranei (AmGH128_I) in complex with laminaritriose | Descriptor: | Glyco_hydro_cc domain-containing protein, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose | Authors: | Costa, P.A.C.R, Santos, C.R, Murakami, M.T. | Deposit date: | 2019-09-11 | Release date: | 2020-05-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nat.Chem.Biol., 16, 2020
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6UAU
| Crystal structure of a GH128 (subgroup I) endo-beta-1,3-glucanase (E102A mutant) from Amycolatopsis mediterranei (AmGH128_I) in complex with laminaritriose and laminaribiose | Descriptor: | DI(HYDROXYETHYL)ETHER, Glyco_hydro_cc domain-containing protein, ZINC ION, ... | Authors: | Vieira, P.S, Cabral, L, Costa, P.A.C.R, Santos, C.R, Murakami, M.T. | Deposit date: | 2019-09-11 | Release date: | 2020-05-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nat.Chem.Biol., 16, 2020
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6UB0
| Crystal structure of a GH128 (subgroup III) curdlan-specific exo-beta-1,3-glucanase from Blastomyces gilchristii (BgGH128_III) in complex with laminaribiose at -2 and -1 subsites | Descriptor: | Glyco_hydro_cc domain-containing protein, beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose | Authors: | Costa, P.A.C.R, Santos, C.R, Domingues, M.N, Lima, E.A, Mandelli, F, Murakami, M.T. | Deposit date: | 2019-09-11 | Release date: | 2020-05-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nat.Chem.Biol., 16, 2020
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6UHN
| Crystal Structure of C148 mGFP-cDNA-1 | Descriptor: | C148 mGFP-cDNA-1, UNKNOWN LIGAND | Authors: | Winegar, P.W, Hayes, O.G, McMillan, J.R, Figg, C.A, Focia, P.J, Mirkin, C.A. | Deposit date: | 2019-09-27 | Release date: | 2020-03-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | DNA-Directed Protein Packing within Single Crystals. Chem, 6, 2020
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3J45
| Structure of a non-translocating SecY protein channel with the 70S ribosome | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L23, 50S ribosomal protein L24, ... | Authors: | Menetret, J.F, Park, E, Gumbart, J.C, Ludtke, S.J, Li, W, Whynot, A, Rapoport, T.A, Akey, C.W. | Deposit date: | 2013-06-18 | Release date: | 2013-10-23 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (9.5 Å) | Cite: | Structure of the SecY channel during initiation of protein translocation. Nature, 506, 2013
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3J94
| Structure of ATP-bound N-ethylmaleimide sensitive factor determined by single particle cryoelectron microscopy | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Vesicle-fusing ATPase | Authors: | Zhao, M, Wu, S, Cheng, Y, Brunger, A.T. | Deposit date: | 2014-12-05 | Release date: | 2015-01-28 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Mechanistic insights into the recycling machine of the SNARE complex. Nature, 518, 2015
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6TXS
| The structure of the FERM domain and helical linker of human moesin bound to a CD44 peptide | Descriptor: | CD44 antigen, Moesin | Authors: | Bradshaw, W.J, Katis, V.L, Kelly, J.J, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-01-14 | Release date: | 2020-01-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease. J.Biol.Chem., 299, 2023
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