6TT0
 
 | | Crystal structure of a potent and reversible dual binding site Acetylcholinesterase chiral inhibitor | | Descriptor: | (1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | Authors: | de la Mora, E, Mangiatordi, G.F, Belviso, B.D, Caliandro, R, Colletier, J.P, Catto, M. | | Deposit date: | 2019-12-22 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.80003023 Å) | | Cite: | Chiral Separation, X-ray Structure, and Biological Evaluation of a Potent and Reversible Dual Binding Site AChE Inhibitor.
Acs Med.Chem.Lett., 11, 2020
|
|
8S9E
 | | Solution structure of jarastatin (rJast), a disintegrin from Bothrops jararaca | | Descriptor: | Disintegrin jarastatin | | Authors: | Vasconcelos, A.A, Estrada, J.E.C, Zingali, R.B, Almeida, F.C.L. | | Deposit date: | 2023-03-28 | | Release date: | 2023-11-29 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Toward the mechanism of jarastatin (rJast) inhibition of the integrin alpha V beta 3.
Int.J.Biol.Macromol., 255, 2024
|
|
6QUK
 | | Protein crystallization by ionic liquid hydrogel support: glucose isomerase grown by using ionic liquid hydrogel | | Descriptor: | GLYCEROL, MANGANESE (II) ION, SULFATE ION, ... | | Authors: | Belviso, B.D, Caliandro, R, Caliandro, R. | | Deposit date: | 2019-02-27 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Protein Crystallization in Ionic-Liquid Hydrogel Composite Membranes
Crystals, 9, 2019
|
|
6QUF
 | | Protein crystallization by ionic liquid hydrogel support: reference crystal of glucose isomerase grown on standard silanized glass | | Descriptor: | GLYCEROL, MANGANESE (II) ION, SULFATE ION, ... | | Authors: | Belviso, B.D, Caliandro, R, Caliandro, R. | | Deposit date: | 2019-02-27 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Protein Crystallization in Ionic-Liquid Hydrogel Composite Membranes
Crystals, 9, 2019
|
|
5L2X
 | | Crystal structure of human PrimPol ternary complex | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*GP*GP*TP*AP*GP*CP*(DDG))-3'), ... | | Authors: | Rechkoblit, O, Gupta, Y.K, Malik, R, Rajashankar, K.R, Johnson, R.E, Prakash, L, Prakash, S, Aggarwal, A.K. | | Deposit date: | 2016-08-02 | | Release date: | 2016-11-23 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and mechanism of human PrimPol, a DNA polymerase with primase activity.
Sci Adv, 2, 2016
|
|
3UTZ
 | | Endogenous-like inhibitory antibodies targeting activated metalloproteinase motifs show therapeutic potential | | Descriptor: | Metalloproteinase, heavy chain, light chain, ... | | Authors: | Sela-Passwell, N, Kikkeri, R, Dym, O, Rozenberg, H, Margalit, R, Arad-Yellin, R, Eisenstein, M, Brenner, O, Shoham, T, Danon, T, Shanzer, A, Sagi, I, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2011-11-27 | | Release date: | 2011-12-14 | | Last modified: | 2017-03-15 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Antibodies targeting the catalytic zinc complex of activated matrix metalloproteinases show therapeutic potential.
NAT.MED. (N.Y.), 18, 2012
|
|
6EO8
 | | Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor | | Descriptor: | DIMETHYL SULFOXIDE, Hirudin variant-2, N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-[3-(beta-D-glucopyranosyloxy)propoxy]phenyl)-1-(propan-2-yl)piperidine-4-carboxamide, ... | | Authors: | Belviso, B.D, Caliandro, R, Aresta, B.M, De Candia, M, Altomare, C.D. | | Deposit date: | 2017-10-09 | | Release date: | 2017-12-13 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | How a beta-D-glucoside side chain enhances binding affinity to thrombin of inhibitors bearing 2-chlorothiophene as P1 moiety: crystallography, fragment deconstruction study, and evaluation of antithrombotic properties.
J. Med. Chem., 57, 2014
|
|
6EO9
 | | Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor | | Descriptor: | DIMETHYL SULFOXIDE, Hirudin variant-2, N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-{3-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]propoxy}phenyl)-1-(propan-2-yl)piperidine-4-carboxamide, ... | | Authors: | Belviso, B.D, Caliandro, R, Aresta, B.M, De Candia, M, Altomare, C.D. | | Deposit date: | 2017-10-09 | | Release date: | 2017-12-13 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | How a beta-D-glucoside side chain enhances binding affinity to thrombin of inhibitors bearing 2-chlorothiophene as P1 moiety: crystallography, fragment deconstruction study, and evaluation of antithrombotic properties.
J. Med. Chem., 57, 2014
|
|
6RV5
 | | X-ray structure of the levansucrase from Erwinia tasmaniensis in complex with levanbiose | | Descriptor: | GLYCEROL, Levansucrase (Beta-D-fructofuranosyl transferase), ZINC ION, ... | | Authors: | Polsinelli, I, Caliandro, R, Demitri, N, Benini, S. | | Deposit date: | 2019-05-31 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | The Structure of Sucrose-Soaked Levansucrase Crystals fromErwinia tasmaniensisreveals a Binding Pocket for Levanbiose.
Int J Mol Sci, 21, 2019
|
|
6MRC
 | | ADP-bound human mitochondrial Hsp60-Hsp10 football complex | | Descriptor: | 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ... | | Authors: | Gomez-Llorente, Y, Jebara, F, Patra, M, Malik, R, Nissemblat, S, Azem, A, Hirsch, J.A, Ubarretxena-Belandia, I. | | Deposit date: | 2018-10-12 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | Structural basis for active single and double ring complexes in human mitochondrial Hsp60-Hsp10 chaperonin.
Nat Commun, 11, 2020
|
|
6MRD
 | | ADP-bound human mitochondrial Hsp60-Hsp10 half-football complex | | Descriptor: | 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ... | | Authors: | Gomez-Llorente, Y, Jebara, F, Patra, M, Malik, R, Nissemblat, S, Azem, A, Hirsch, J.A, Ubarretxena-Belandia, I. | | Deposit date: | 2018-10-12 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.82 Å) | | Cite: | Structural basis for active single and double ring complexes in human mitochondrial Hsp60-Hsp10 chaperonin.
Nat Commun, 11, 2020
|
|
5H6Z
 | | Crystal structure of Set7, a novel histone methyltransferase in Schizossacharomyces pombe | | Descriptor: | AMMONIUM ION, DI(HYDROXYETHYL)ETHER, SET domain-containing protein 7, ... | | Authors: | Mevius, D.E.H.F, Shen, Y, Morishita, M, Carrozzini, B, Caliandro, R, di Luccio, E. | | Deposit date: | 2016-11-15 | | Release date: | 2017-11-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Set7 Is a H3K37 Methyltransferase in Schizosaccharomyces pombe and Is Required for Proper Gametogenesis.
Structure, 27, 2019
|
|
6SNI
 | | Cryo-EM structure of nanodisc reconstituted yeast ALG6 in complex with 6AG9 Fab | | Descriptor: | 6AG9-Fab heavy chain, 6AG9-Fab light chain, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Bloch, J.S, Pesciullesi, G, Boilevin, J, Nosol, K, Irobalieva, R.N, Darbre, T, Aebi, M, Kossiakoff, A.A, Reymond, J.L, Locher, K.P. | | Deposit date: | 2019-08-24 | | Release date: | 2020-03-11 | | Last modified: | 2020-04-01 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure and mechanism of the ER-based glucosyltransferase ALG6.
Nature, 579, 2020
|
|
6SNH
 | | Cryo-EM structure of yeast ALG6 in complex with 6AG9 Fab and Dol25-P-Glc | | Descriptor: | 6AG9 Fab heavy chain, 6AG9 Fab light chain, Dolichyl pyrophosphate Man9GlcNAc2 alpha-1,3-glucosyltransferase, ... | | Authors: | Bloch, J.S, Pesciullesi, G, Boilevin, J, Nosol, K, Irobalieva, R.N, Darbre, T, Aebi, M, Kossiakoff, A.A, Reymond, J.L, Locher, K.P. | | Deposit date: | 2019-08-24 | | Release date: | 2020-03-11 | | Last modified: | 2020-04-01 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure and mechanism of the ER-based glucosyltransferase ALG6.
Nature, 579, 2020
|
|
8FBZ
 | | Crystal Structure of apo human Glutathione Synthetase Y270E | | Descriptor: | GLYCEROL, Glutathione synthetase, SULFATE ION | | Authors: | Stanford, S.M, Santelli, E, Sankaran, B, Murali, R, Bottini, N. | | Deposit date: | 2022-11-30 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Targeting prostate tumor low-molecular weight tyrosine phosphatase for oxidation-sensitizing therapy.
Sci Adv, 10, 2024
|
|
4G9L
 | | Structure of MMP3 complexed with NNGH inhibitor. | | Descriptor: | CALCIUM ION, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, Stromelysin-1, ... | | Authors: | Belviso, B.D, Arnesano, F, Calderone, V, Caliandro, R, Natile, G, Siliqi, D. | | Deposit date: | 2012-07-24 | | Release date: | 2013-05-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structure of matrix metalloproteinase-3 with a platinum-based inhibitor.
Chem.Commun.(Camb.), 49, 2013
|
|
6U4B
 | | WbbM bifunctional glycosytransferase apo structure | | Descriptor: | MAGNESIUM ION, WbbM protein | | Authors: | Kimber, M.S, Mallette, E, Kamski-Hennekam, E.R, Gitalis, R. | | Deposit date: | 2019-08-25 | | Release date: | 2020-01-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A bifunctional O-antigen polymerase structure reveals a new glycosyltransferase family.
Nat.Chem.Biol., 16, 2020
|
|
6FRW
 | | X-ray structure of the levansucrase from Erwinia tasmaniensis | | Descriptor: | GLYCEROL, Levansucrase (Beta-D-fructofuranosyl transferase), ZINC ION | | Authors: | Polsinelli, I, Salomone-Stagni, M, Caliandro, R, Demitri, N, Benini, S. | | Deposit date: | 2018-02-16 | | Release date: | 2019-02-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Comparison of the Levansucrase from the epiphyte Erwinia tasmaniensis vs its homologue from the phytopathogen Erwinia amylovora.
Int. J. Biol. Macromol., 127, 2019
|
|
8PM6
 | | Human bile salt export pump (BSEP) in complex with inhibitor GBM in nanodiscs | | Descriptor: | 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, Bile salt export pump, CHOLESTEROL | | Authors: | Liu, H, Irobalieva, R.N, Kowal, J, Ni, D, Nosol, K, Bang-Sorensen, R, Lancien, L, Stahlberg, H, Stieger, B, Locher, K.P. | | Deposit date: | 2023-06-28 | | Release date: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Structural basis of bile salt extrusion and small-molecule inhibition in human BSEP.
Nat Commun, 14, 2023
|
|
8AGE
 | | Structure of yeast oligosaccharylransferase complex with acceptor peptide bound | | Descriptor: | (2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[(1~{S},2~{R},3~{R},4~{R},5'~{S},6~{S},7~{R},8~{S},9~{R},12~{R},13~{R},15~{S},16~{S},18~{R})-5',7,9,13-tetramethyl-3,15-bis(oxidanyl)spiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-16-yl]oxy-oxane-3,4,5-triol, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-[3,6-bis(dimethylamino)xanthen-9-yl]-5-methanoyl-benzoate, ... | | Authors: | Ramirez, A.S, de Capitani, M, Pesciullesi, G, Kowal, J, Bloch, J.S, Irobalieva, R.N, Aebi, M, Reymond, J.L, Locher, K.P. | | Deposit date: | 2022-07-19 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-18 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Molecular basis for glycan recognition and reaction priming of eukaryotic oligosaccharyltransferase.
Nat Commun, 13, 2022
|
|
8PMJ
 | | Vanadate-trapped BSEP in nanodiscs | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Bile salt export pump, ... | | Authors: | Liu, H, Irobalieva, R.N, Kowal, J, Ni, D, Nosol, K, Bang-Sorensen, R, Lancien, L, Stahlberg, H, Stieger, B, Locher, K.P. | | Deposit date: | 2023-06-28 | | Release date: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | Structural basis of bile salt extrusion and small-molecule inhibition in human BSEP.
Nat Commun, 14, 2023
|
|
8PMD
 | | Nucleotide-bound BSEP in nanodiscs | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Bile salt export pump, MAGNESIUM ION | | Authors: | Liu, H, Irobalieva, R.N, Kowal, J, Ni, D, Nosol, K, Bang-Sorensen, R, Lancien, L, Stahlberg, H, Stieger, B, Locher, K.P. | | Deposit date: | 2023-06-28 | | Release date: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Structural basis of bile salt extrusion and small-molecule inhibition in human BSEP.
Nat Commun, 14, 2023
|
|
3N30
 | | Crystal Structure of cubic Zn3-hUb (human ubiquitin) adduct | | Descriptor: | Ubiquitin, ZINC ION | | Authors: | Siliqi, D, Caliandro, R, Arnesano, F, Natile, G, Falini, G, Fermani, S, Belviso, B.D. | | Deposit date: | 2010-05-19 | | Release date: | 2011-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystallographic analysis of metal-ion binding to human ubiquitin.
Chemistry, 17, 2011
|
|
3N32
 | | The crystal structure of human Ubiquitin adduct with Zeise's salt | | Descriptor: | PLATINUM (II) ION, Ubiquitin | | Authors: | Siliqi, D, Caliandro, R, Falini, G, Fermani, S, Natile, G, Arnesano, F, Belviso, B.D. | | Deposit date: | 2010-05-19 | | Release date: | 2011-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.795 Å) | | Cite: | Crystallographic analysis of metal-ion binding to human ubiquitin.
Chemistry, 17, 2011
|
|
7ZLJ
 | | Cryo-EM structure of C-mannosyltransferase CeDPY19, in ternary complex with Dol25-P-C-Man and acceptor peptide, bound to CMT2-Fab and anti-Fab nanobody | | Descriptor: | Anti-Fab nanobody, C-mannosyltransferase dpy-19, CMT2-Fab heavy chain, ... | | Authors: | Bloch, J.S, Mao, R, Mukherjee, S, Boilevin, J, Irobalieva, R, Darbre, T, Reymond, J.L, Kossiakoff, A.A, Goddard-Borger, E.D, Locher, K.P. | | Deposit date: | 2022-04-15 | | Release date: | 2023-01-11 | | Last modified: | 2023-05-10 | | Method: | ELECTRON MICROSCOPY (3.63 Å) | | Cite: | Structure, sequon recognition and mechanism of tryptophan C-mannosyltransferase.
Nat.Chem.Biol., 19, 2023
|
|
