6RWV
 
 | | Structure of apo-LmCpfC | | Descriptor: | Ferrochelatase, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Hofbauer, S, Helm, J, Djinovic-Carugo, K, Furtmueller, P.G. | | Deposit date: | 2019-06-06 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6386379 Å) | | Cite: | Crystal structures and calorimetry reveal catalytically relevant binding mode of coproporphyrin and coproheme in coproporphyrin ferrochelatase.
Febs J., 287, 2020
|
|
8EP5
 | | Solution NMR structure of a computationally designed mastoparan-like peptide, mastoparan-R1 | | Descriptor: | Mastoparan-R1 peptide | | Authors: | Freitas, C.D.P, Oshiro, K.G.N, Macedo, M.L.R, Cardoso, M.H, Franco, O.L, Liao, L.M. | | Deposit date: | 2022-10-05 | | Release date: | 2023-10-18 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of a computationally designed mastoparan-like peptide, mastoparan-R1.
To Be Published
|
|
8EO7
 | | Crystal structure of metagenomic beta-lactamase LRA-5 Y69Q/V166E mutant at 2.15 Angstrom resolution | | Descriptor: | beta-lactamase | | Authors: | Power, P, D'Amico Gonzalez, G, Centron, D, Gutkind, G, Handelsman, J, Klinke, S. | | Deposit date: | 2022-10-02 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Playing beta-Lactamase Evolution: Metagenomic Class A beta-Lactamase LRA-5 is an Inactive Enzyme Capable of Rendering an Active beta-Lactamase by Introduction of Y69Q and V166E Substitutions
to be published
|
|
5ENE
 | | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with 5-Amino-2-benzyl-1,3-oxazole-4-carbonitrile (SGC - Diamond I04-1 fragment screening) | | Descriptor: | 5-azanyl-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile, PH-interacting protein | | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Amin, J, Szykowska, A, Burgess-Brown, N, Spencer, J, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-09 | | Release date: | 2016-04-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
|
|
8EJX
 | |
6XB9
 | | Crystal structure of Azotobacter vinelandii 3-mercaptopropionic acid dioxygenase in complex with 3-hydroxypropionic acid | | Descriptor: | 3-HYDROXY-PROPANOIC ACID, CHLORIDE ION, Cysteine dioxygenase type I protein, ... | | Authors: | Kiser, P.D, Khadka, N, Shi, W, Pierce, B.S. | | Deposit date: | 2020-06-05 | | Release date: | 2021-03-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of 3-mercaptopropionic acid dioxygenase with a substrate analog reveals bidentate substrate binding at the iron center.
J.Biol.Chem., 296, 2021
|
|
8ERU
 | | Solution NMR structure of a computationally designed mastoparan-like peptide, mastoparan-R4 | | Descriptor: | Mastoparan-R4 peptide | | Authors: | Freitas, C.D.P, Oshiro, K.G.N, Macedo, M.L.R, Cardoso, M.H, Franco, O.L, Liao, L.M. | | Deposit date: | 2022-10-12 | | Release date: | 2023-10-18 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of a computacionally designed mastoparan-like peptide, mastoparan-R4
To Be Published
|
|
6TWH
 | | Crystal structure of the haemagglutinin mutant (Gln226Leu, Gly228Ser) from an H10N7 seal influenza virus isolated in Germany | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | | Deposit date: | 2020-01-13 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
|
|
8EO6
 | | Crystal structure of metagenomic class A beta-lactamase precursor LRA-5 in complex with ceftazidime at 2.35 Angstrom resolution | | Descriptor: | ACYLATED CEFTAZIDIME, LRA-5 | | Authors: | Power, P, D'Amico Gonzalez, G, Centron, D, Gutkind, G, Handelsman, J, Klinke, S. | | Deposit date: | 2022-10-02 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Playing beta-Lactamase Evolution: Metagenomic Class A beta-Lactamase LRA-5 is an Inactive Enzyme Capable of Rendering an Active beta-Lactamase by Introduction of Y69Q and V166E Substitutions
to be published
|
|
6RJP
 | | Bfl-1 in complex with alpha helical peptide | | Descriptor: | Bcl-2-like protein 11, Bcl-2-related protein A1 | | Authors: | Baggio, C, Gambini, L, Udompholkul, P, Salem, A.F, Hakansson, M, Jossart, J, Perry, J, Pellecchia, M. | | Deposit date: | 2019-04-29 | | Release date: | 2019-10-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | N-locking stabilization of covalent helical peptides: Application to Bfl-1 antagonists.
Chem.Biol.Drug Des., 95, 2020
|
|
8ETQ
 | |
6ROA
 | | Crystal structure of V57G mutant of human cystatin C | | Descriptor: | Cystatin-C | | Authors: | Orlikowska, M, Behrendt, I, Borek, D, Otwinowski, Z, Skowron, P, Szymanska, A. | | Deposit date: | 2019-05-10 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | NMR and crystallographic structural studies of the extremely stable monomeric variant of human cystatin C with single amino acid substitution.
Febs J., 287, 2020
|
|
8CO6
 | | Subtomogram average of Immature Rotavirus TLP penton | | Descriptor: | Inner capsid protein VP2, Intermediate capsid protein VP6, Outer capsid glycoprotein VP7, ... | | Authors: | Shah, P.N.M, Stuart, D.I. | | Deposit date: | 2023-02-27 | | Release date: | 2023-05-10 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Characterization of the rotavirus assembly pathway in situ using cryoelectron tomography.
Cell Host Microbe, 31, 2023
|
|
6I4R
 | | Crystal structure of the disease-causing R460G mutant of the human dihydrolipoamide dehydrogenase at 1.44 Angstrom resolution | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ... | | Authors: | Szabo, E, Wilk, P, Bui, D, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. | | Deposit date: | 2018-11-10 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.439 Å) | | Cite: | Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants.
Hum.Mol.Genet., 28, 2019
|
|
7YXC
 | | Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment | | Descriptor: | Ancestral Glucocorticoid Receptor2, CARBONATE ION, DEXAMETHASONE, ... | | Authors: | Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | | Deposit date: | 2022-02-15 | | Release date: | 2022-12-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
|
|
4PVK
 | | Phl p 4 I153V N158H variant, a glucose oxidase | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, MALONATE ION, ... | | Authors: | Zafred, D, Teufelberger, A, Keller, W, Macheroux, P. | | Deposit date: | 2014-03-17 | | Release date: | 2014-04-02 | | Last modified: | 2015-09-02 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction.
Febs J., 282, 2015
|
|
8C3C
 | |
7YXO
 | | Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, ... | | Authors: | Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | | Deposit date: | 2022-02-16 | | Release date: | 2022-12-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
|
|
8CME
 | | Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Membrane peptide M176-190 | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HLA class II histocompatibility antigen, ... | | Authors: | MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J. | | Deposit date: | 2023-02-19 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
|
|
6RUU
 | | Pseudokinase domain of human IRAK3 | | Descriptor: | GLYCEROL, Interleukin-1 receptor-associated kinase 3, MERCURY (II) ION, ... | | Authors: | Lange, S.M, Kulathu, Y, Cohen, P. | | Deposit date: | 2019-05-29 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Dimeric Structure of the Pseudokinase IRAK3 Suggests an Allosteric Mechanism for Negative Regulation.
Structure, 29, 2021
|
|
8K8S
 | | F8-A22-E4 complex of MPXV in complex with DNA and Ara-CTP | | Descriptor: | 4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, DNA (5'-D(*AP*TP*CP*CP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*TP*AP*GP*GP*TP*AP*GP*GP*GP*GP*AP*GP*GP*AP*T)-3'), ... | | Authors: | Shen, Y.P, Li, Y.N, Yan, R.H. | | Deposit date: | 2023-07-31 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Structural basis for the inhibition mechanism of the DNA polymerase holoenzyme from mpox virus.
Structure, 32, 2024
|
|
8CMD
 | | Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S761-775 | | Descriptor: | 1,2-ETHANEDIOL, HLA class II histocompatibility antigen, DR alpha chain, ... | | Authors: | MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J. | | Deposit date: | 2023-02-19 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
|
|
7WGM
 | | Crystal structure of Adenosine triphosphate phosphoribosyltransferase (HisG) from Acinetobacter baumannii at 3.15 A resolution | | Descriptor: | ACETATE ION, ATP phosphoribosyltransferase | | Authors: | Ahmad, N, Maurya, A, Singh, P.K, Viswanathan, V, Sharma, P, Singh, T.P, Sharma, S. | | Deposit date: | 2021-12-28 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Crystal structure of Adenosine triphosphate phosphoribosyltransferase (HisG) from Acinetobacter baumannii at 3.15 A resolution
To Be Published
|
|
8COL
 | | Crystal structure of Rhizobium etli constitutive L-asparaginase ReAIV (orthorombic form R4oP-2) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Loch, J.I, Worsztynowicz, P, Sliwiak, J, Imioloczyk, B, Grzechowiak, M, Gilski, M, Jaskolski, M. | | Deposit date: | 2023-02-28 | | Release date: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rhizobium etli has two L-asparaginases with low sequence identity but similar structure and catalytic center.
Acta Crystallogr D Struct Biol, 79, 2023
|
|
7S9W
 | | Structure of DrmAB:ADP:DNA complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*T)-3'), DrmA, ... | | Authors: | Bravo, J.P.K, Taylor, D.W, Brounds, S.J.J, Aparicio-Maldonado, C. | | Deposit date: | 2021-09-21 | | Release date: | 2022-06-15 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis for broad anti-phage immunity by DISARM.
Nat Commun, 13, 2022
|
|
