6Z48
 
 | | Crystal structure of Thrombin in complex with macrocycle X1vE | | Descriptor: | 5-chloranyl-N-[[(4S,15R)-2,5,13,16-tetrakis(oxidanylidene)-15-propan-2-yl-9,10-dithia-3,6,14,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-4-yl]methyl]thiophene-2-carboxamide, SODIUM ION, Thrombin heavy chain, ... | | Authors: | Angelini, A, Habeshian, S, Heinis, C, Cendron, L. | | Deposit date: | 2020-05-23 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Synthesis and direct assay of large macrocycle diversities by combinatorial late-stage modification at picomole scale.
Nat Commun, 13, 2022
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6HQ8
 | | Bacterial beta-1,3-oligosaccharide phosphorylase from GH149 with laminarihexaose bound at a surface site | | Descriptor: | 1,2-ETHANEDIOL, BICINE, Beta-1,3-oligosaccharide phosphorylase, ... | | Authors: | Kuhaudomlarp, S, Stevenson, C.E.M, Lawson, D.M, Field, R.A. | | Deposit date: | 2018-09-24 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The structure of a GH149 beta-(1 → 3) glucan phosphorylase reveals a new surface oligosaccharide binding site and additional domains that are absent in the disaccharide-specific GH94 glucose-beta-(1 → 3)-glucose (laminaribiose) phosphorylase.
Proteins, 87, 2019
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6G92
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6ZH0
 | | Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, N-(3-chlorophenyl)-2,2,2-trifluoroacetamide, ... | | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | | Deposit date: | 2020-06-20 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
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5HL0
 | | Crystal Structure of c-Cbl TKBD in complex with SPRY2 peptide (54-60, pY55) Refined to 2.2A Resolution | | Descriptor: | E3 ubiquitin-protein ligase CBL, SODIUM ION, Sprouty 2 (SPRY2) | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P. | | Deposit date: | 2016-01-14 | | Release date: | 2017-01-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of c-Cbl TKBD in complex with SPRY2 peptide (54-60, pY55) Refined to 2.2A Resolution
To Be Published
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6HR9
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6FWA
 | | Crystal structure of L-tryptophan oxidase VioA from Chromobacterium violaceum in complex with 7-Methyl-L-Tryptophan | | Descriptor: | 7-Methyl-L-Tryptophan, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent L-tryptophan oxidase VioA, ... | | Authors: | Lai, H.E, Morgan, M, Moore, S, Freemont, P. | | Deposit date: | 2018-03-05 | | Release date: | 2019-02-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.846 Å) | | Cite: | A GenoChemetic strategy for derivatization of the violacein natural product scaffold
Biorxiv, 2019
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6P4E
 | | Leishmania mexicana CPB in complex with an aza-nitrile inhibitor | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-tert-butyl-N-[(2S)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1H-pyrazole-5-carboxamide (non-preferred name), ... | | Authors: | Ribeiro, J.F.R, Li, C, De Vita, D, Emsley, J, Montanari, C.A. | | Deposit date: | 2019-05-27 | | Release date: | 2020-06-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | High Resolution X-Ray Crystal Structures of LmCPB2.8 Co-Crystalized with Dipeptidyl Aza-nitrile Inhibitor and Structure Activity Relationships
To Be Published
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8QCJ
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7PPA
 | | High resolution structure of bone morphogenetic protein receptor type II (BMPRII) extracellular domain in complex with BMP10 | | Descriptor: | Bone morphogenetic protein 10, Bone morphogenetic protein receptor type-2, GLYCEROL | | Authors: | Guo, J, Yu, M, Read, R.J, Li, W. | | Deposit date: | 2021-09-13 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
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6Z1B
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6G9A
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5HFR
 | | Crystal structure of the second bromodomain H395R mutant of human BRD3 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 3, NITRATE ION | | Authors: | Tallant, C, Lori, C, Pasquo, A, Chiaraluce, R, Consalvi, V, Fonseca, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | | Deposit date: | 2016-01-07 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of the second bromodomain H395R mutant of human BRD3
To Be Published
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6FWL
 | | Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex alpha-Glc-1,3-(1,2-anhydro-carba-mannose) | | Descriptor: | (1~{S},2~{S},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ... | | Authors: | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | Deposit date: | 2018-03-06 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
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5HLD
 | | E. coli PBP1b in complex with acyl-CENTA and moenomycin | | Descriptor: | (2S)-5-methylidene-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, MOENOMYCIN, Penicillin-binding protein 1B | | Authors: | King, D.T, Strynadka, N.C.J. | | Deposit date: | 2016-01-14 | | Release date: | 2016-12-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Escherichia coli Penicillin-Binding Protein 1B: Structural Insights into Inhibition.
J. Biol. Chem., 2016
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6HRI
 | | Native YndL | | Descriptor: | CITRATE ANION, IMIDAZOLE, SULFATE ION, ... | | Authors: | Ramaswamy, S, Rasheed, M, Morelli, C, Calvio, C, Sutton, B, Pastore, A. | | Deposit date: | 2018-09-27 | | Release date: | 2018-10-10 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | The structure of PghL hydrolase bound to its substrate poly-gamma-glutamate.
FEBS J., 285, 2018
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6BNF
 | | Crystal structure of the intrinsic colistin resistance enzyme ICR(Mc) from Moraxella catarrhalis, catalytic domain, mono-zinc complex | | Descriptor: | ACETATE ION, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Di Leo, R, Savchenko, A, Anderson, W.F, Satchell, K.J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-11-16 | | Release date: | 2018-01-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Substrate recognition by a colistin resistance enzyme from Moraxella catarrhalis.
ACS Chem. Biol., 2018
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5W7H
 | | Supercharged arPTE variant R5 | | Descriptor: | Phosphotriesterase, ZINC ION | | Authors: | Campbell, E, Grant, J, Wang, Y, Sandhu, M, Williams, R.J, Nisbet, D.R, Perriman, A, Lupton, D, Jackson, C.J. | | Deposit date: | 2017-06-19 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Hydrogel-Immobilized Supercharged Proteins
Adv Biosyst, 2018
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6G9T
 | | CRYSTAL STRUCTURE OF CMY-136 class C BETA-LACTAMASE | | Descriptor: | Beta-lactamase, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Zavala, A, Retailleau, P, Naas, T, Iorga, B. | | Deposit date: | 2018-04-11 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Genetic, Biochemical, and Structural Characterization of CMY-136 beta-Lactamase, a Peculiar CMY-2 Variant.
Acs Infect Dis., 5, 2019
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6FWP
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-1,3-mannobiose and alpha-1,2-mannobiose | | Descriptor: | ACETATE ION, Glycosyl hydrolase family 71, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose, ... | | Authors: | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | Deposit date: | 2018-03-06 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
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7MGS
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7PDJ
 | | R12E vFLIP mutant | | Descriptor: | FLICE inhibitory protein | | Authors: | Barrett, T.E. | | Deposit date: | 2021-08-05 | | Release date: | 2022-05-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (4.2 Å) | | Cite: | Mechanistic insights into the activation of the IKK kinase complex by the Kaposi's sarcoma herpes virus oncoprotein vFLIP.
J.Biol.Chem., 298, 2022
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6HNJ
 | | The ligand-bound, open structure of CD0873, a substrate binding protein with adhesive properties from Clostridium difficile. | | Descriptor: | 1,2-ETHANEDIOL, ABC-type transport system, sugar-family extracellular solute-binding protein, ... | | Authors: | Bradshaw, W.J, Kovacs-Simon, A, Harmer, N.J, Michell, S.L, Acharya, K.R. | | Deposit date: | 2018-09-15 | | Release date: | 2019-08-28 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular features of lipoprotein CD0873: A potential vaccine against the human pathogenClostridioides difficile.
J.Biol.Chem., 294, 2019
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6BW9
 | | Hendra virus W protein C-terminus in complex with Importin alpha 3 crystal form 1 | | Descriptor: | Importin subunit alpha-3, Protein W | | Authors: | Tsimbalyuk, S, Smith, K.M, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K. | | Deposit date: | 2017-12-14 | | Release date: | 2018-07-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses.
Nat Commun, 9, 2018
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5W9A
 | | The structure of the Trim5alpha Bbox- coiled coil in complex LC3B | | Descriptor: | Microtubule-associated proteins 1A/1B light chain 3B, Tripartite motif-containing protein 5, ZINC ION | | Authors: | Keown, J.R, Goldstone, D.C. | | Deposit date: | 2017-06-22 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | A helical LC3-interacting region mediates the interaction between the retroviral restriction factor Trim5 alpha and mammalian autophagy-related ATG8 proteins.
J. Biol. Chem., 293, 2018
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