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3UTZ
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BU of 3utz by Molmil
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
6RV5
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BU of 6rv5 by Molmil
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
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BU of 6mrc by Molmil
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
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BU of 6mrd by Molmil
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
8FYG
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BU of 8fyg by Molmil
Crystal structure of Hyaluronate lyase A from Cutibacterium acnes
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Hyaluronate lyase
Authors:Katiki, M, McNally, R, Chatterjee, A, Hajam, I.A, Liu, G.Y, Murali, R.
Deposit date:2023-01-26
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Functional divergence of a bacterial enzyme promotes healthy or acneic skin.
Nat Commun, 14, 2023
8FNX
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BU of 8fnx by Molmil
Crystal structure of Hyaluronate lyase B from Cutibacterium acnes
Descriptor: GLYCEROL, Hyaluronate lyase, PHOSPHATE ION
Authors:Katiki, M, McNally, R, Chatterjee, A, Hajam, I.A, Liu, G.Y, Murali, R.
Deposit date:2022-12-28
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Functional divergence of a bacterial enzyme promotes healthy or acneic skin.
Nat Commun, 14, 2023
8G0O
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BU of 8g0o by Molmil
Crystal structure of Y281F mutant of Hyaluronate lyase B from Cutibacterium acnes
Descriptor: Hyaluronate lyase
Authors:Katiki, M, McNally, R, Chatterjee, A, Hajam, I.A, Liu, G.Y, Murali, R.
Deposit date:2023-02-01
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Functional divergence of a bacterial enzyme promotes healthy or acneic skin.
Nat Commun, 14, 2023
3N30
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BU of 3n30 by Molmil
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
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BU of 3n32 by Molmil
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
5H6Z
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BU of 5h6z by Molmil
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
6EO8
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BU of 6eo8 by Molmil
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
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BU of 6eo9 by Molmil
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
6FRW
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BU of 6frw by Molmil
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
4GJH
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BU of 4gjh by Molmil
Crystal Structure of the TRAF domain of TRAF5
Descriptor: TNF receptor-associated factor 5
Authors:Zhang, P, Reichardt, A, Liang, H, Wang, Y, Cheng, D, Aliyari, R, Cheng, G, Liu, Y.
Deposit date:2012-08-09
Release date:2012-11-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Single Amino Acid Substitutions Confer the Antiviral Activity of the TRAF3 Adaptor Protein onto TRAF5
Sci.Signal., 5, 2012
4G9L
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BU of 4g9l by Molmil
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
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BU of 6u4b by Molmil
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
5WW0
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BU of 5ww0 by Molmil
Crystal structure of Set7, a novel histone methyltransferase in Schizossacharomyces pombe
Descriptor: SET domain-containing protein 7, SULFATE ION
Authors:Mevius, D.E.H.F, Shen, Y, Morishita, M, Carrozzini, B, Caliandro, R, di Luccio, E.
Deposit date:2016-12-30
Release date:2017-12-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Set7 Is a H3K37 Methyltransferase in Schizosaccharomyces pombe and Is Required for Proper Gametogenesis.
Structure, 27, 2019
8FBZ
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BU of 8fbz by Molmil
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
7BB1
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BU of 7bb1 by Molmil
Lysozyme crystallized in the presence of the hydrated deep eutectic solvent Choline chloride-Glutamic acid 2:1
Descriptor: ACETATE ION, CHLORIDE ION, CHOLINE ION, ...
Authors:Belviso, B.D, Caliandro, R, Carrozzini, B.
Deposit date:2020-12-16
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Introducing Protein Crystallization in Hydrated Deep Eutectic Solvents
Acs Sustain Chem Eng, 9, 2021
7B9J
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BU of 7b9j by Molmil
Lysozyme crystallized in the presence of the hydrated deep eutectic solvent Choline chloride-Urea 1:2
Descriptor: ACETATE ION, CHLORIDE ION, CHOLINE ION, ...
Authors:Belviso, B.D, Caliandro, R, Carrozzini, B.
Deposit date:2020-12-14
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Introducing Protein Crystallization in Hydrated Deep Eutectic Solvents
Acs Sustain Chem Eng, 9, 2021
7BAZ
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BU of 7baz by Molmil
Lysozyme crystallized in the presence of the hydrated deep eutectic solvent Choline chloride-Glycerol 1:2
Descriptor: ACETATE ION, CHLORIDE ION, CHOLINE ION, ...
Authors:Belviso, B.D, Caliandro, R, Carrozzini, B.
Deposit date:2020-12-16
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Introducing Protein Crystallization in Hydrated Deep Eutectic Solvents
Acs Sustain Chem Eng, 9, 2021
4P7E
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BU of 4p7e by Molmil
Triazolopyridine compounds as selective JAK1 inhibitors: from hit identification to GLPG0634
Descriptor: N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide, Tyrosine-protein kinase JAK2
Authors:Menet, C.C.J, Fletcher, S, Van Lommen, G, Geney, R, Blanc, J, Smits, K, Jouannigot, N, van der Aar, E.M, Clement-Lacroix, P, Lepescheux, L, Galien, R, Vayssiere, B, Nelles, L, Christophe, T, Brys, R, Uhring, M, Ciesielski, F, Van Rompaey, L.
Deposit date:2014-03-27
Release date:2014-11-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Triazolopyridines as Selective JAK1 Inhibitors: From Hit Identification to GLPG0634.
J.Med.Chem., 57, 2014
2Y3M
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BU of 2y3m by Molmil
Structure of the extra-membranous domain of the secretin HofQ from Actinobacillus actinomycetemcomitans
Descriptor: FORMIC ACID, GLYCEROL, PROTEIN TRANSPORT PROTEIN HOFQ
Authors:Tarry, M, Jaaskelainen, M, Tuominen, H, Ihalin, R, Hogbom, M.
Deposit date:2010-12-21
Release date:2011-04-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Extra-Membranous Domains of the Competence Protein Hofq Show DNA Binding, Flexibility and a Shared Fold with Type I Kh Domains.
J.Mol.Biol., 409, 2011
7ZC3
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BU of 7zc3 by Molmil
Crystal structure of human copper chaperone Atox1 bound to zinc ion by CxxC motif
Descriptor: Copper transport protein ATOX1, SULFATE ION, ZINC ION
Authors:Mangini, V, Belviso, B.D, Arnesano, F, Caliandro, R.
Deposit date:2022-03-25
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the Human Copper Chaperone ATOX1 Bound to Zinc Ion.
Biomolecules, 12, 2022
4JA1
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BU of 4ja1 by Molmil
Structure of MMP3 complexed with a platinum-based inhibitor
Descriptor: CALCIUM ION, CHLORIDE ION, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ...
Authors:Belviso, B.D, Arnesano, F, Calderone, V, Caliandro, R, Natile, G, Siliqi, D.
Deposit date:2013-02-18
Release date:2013-02-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structure of matrix metalloproteinase-3 with a platinum-based inhibitor.
Chem.Commun.(Camb.), 49, 2013

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