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6ZDM
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BU of 6zdm by Molmil
Crystal structure of human heparanase in complex with a N',6O'-bis-sulfated 4-methylumbelliferyl heparan sulfate disaccharide
Descriptor: (2~{S},3~{S},4~{R},5~{R},6~{S})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wu, L, Davies, G.J.
Deposit date:2020-06-14
Release date:2020-10-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.714 Å)
Cite:Structural insights into heparanase activity using a fluorogenic heparan sulfate disaccharide.
Chem.Commun.(Camb.), 56, 2020
7RG8
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BU of 7rg8 by Molmil
Crystal Structure of a Stable Heparanase Mutant
Descriptor: ACETATE ION, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit, ...
Authors:Whitefield, C, Hong, N.S, Jackson, C.J.
Deposit date:2021-07-14
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Computational design and experimental characterisation of a stable human heparanase variant.
Rsc Chem Biol, 3, 2022
7EYO
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BU of 7eyo by Molmil
Crystal structure of leech hyaluronidase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hyaluronoglucuronidase
Authors:Huang, H, Hou, X.D, Rao, Y.J, Kang, Z.
Deposit date:2021-05-31
Release date:2022-05-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and cleavage pattern of a hyaluronate 3-glycanohydrolase in the glycoside hydrolase 79 family.
Carbohydr Polym, 277, 2022
8E08
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BU of 8e08 by Molmil
Crystal structure of HPSE P6 in complex with tetraose pentosan inhibitor
Descriptor: 2,3,4-tri-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose, ACETATE ION, Heparanase 50 kDa subunit, ...
Authors:Whitefield, C, Jackson, C.J.
Deposit date:2022-08-08
Release date:2023-07-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Complex Inhibitory Mechanism of Glycomimetics with Heparanase.
Biochemistry, 62, 2023
8E07
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BU of 8e07 by Molmil
Crystal structure of HPSE P6 in complex with triose pentosan inhibitor
Descriptor: 2,3,4-tri-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose, ACETATE ION, AMMONIUM ION, ...
Authors:Whitefield, C, Jackson, C.J.
Deposit date:2022-08-08
Release date:2023-07-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Complex Inhibitory Mechanism of Glycomimetics with Heparanase.
Biochemistry, 62, 2023
7YI7
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BU of 7yi7 by Molmil
Crystal structure of Human HPSE1 in complex with inhibitor
Descriptor: (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit
Authors:Mima, M, Fujimoto, N, Imai, Y.
Deposit date:2022-07-15
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Lead identification of novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid derivative as a potent heparanase-1 inhibitor.
Bioorg.Med.Chem.Lett., 79, 2022
7YJC
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BU of 7yjc by Molmil
Crystal structure of Human HPSE1 in complex with inhibitor
Descriptor: (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit
Authors:Mima, M, Fujimoto, N, Imai, Y.
Deposit date:2022-07-19
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Lead identification of novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid derivative as a potent heparanase-1 inhibitor.
Bioorg.Med.Chem.Lett., 79, 2022
5LA7
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BU of 5la7 by Molmil
Crystal structure of human proheparanase, in complex with glucuronic acid configured aziridine probe JJB355
Descriptor: (1~{S},2~{R},3~{S},4~{S},5~{S},6~{R})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wu, L, Jin, Y, Davies, G.J.
Deposit date:2016-06-13
Release date:2017-05-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
5L9Y
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BU of 5l9y by Molmil
Crystal structure of human heparanase, in complex with glucuronic acid configured aziridine probe JJB355
Descriptor: (1~{S},2~{R},3~{S},4~{S},5~{S},6~{R})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wu, L, Jin, Y, Davies, G.J.
Deposit date:2016-06-13
Release date:2017-05-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
5LA4
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BU of 5la4 by Molmil
Crystal structure of apo human proheparanase
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Heparanase, ...
Authors:Wu, L, Jin, Y, Davies, G.J.
Deposit date:2016-06-13
Release date:2017-05-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
5L9Z
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BU of 5l9z by Molmil
Crystal structure of human heparanase nucleophile mutant (E343Q), in complex with unreacted glucuronic acid configured aziridine probe JJB355
Descriptor: (1~{R},2~{S},3~{R},4~{S},5~{S},6~{R})-7-[8-[(azanylidene-{4}-azanylidene)amino]octyl]-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wu, L, Jin, Y, Davies, G.J.
Deposit date:2016-06-13
Release date:2017-05-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
8B0B
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BU of 8b0b by Molmil
Crystal structure of human heparanase in complex with covalent inhibitor VB151
Descriptor: (1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Armstrong, Z, Davies, G.J.
Deposit date:2022-09-07
Release date:2022-12-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors.
Chemmedchem, 18, 2023
8B0C
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BU of 8b0c by Molmil
Crystal structure of human heparanase in complex with covalent inhibitor VB158
Descriptor: (1~{S},2~{R},3~{R},4~{S},6~{S})-3,4,6-tris(oxidanyl)-2-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethoxy]cyclohexane-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Heparanase 50 kDa subunit, ...
Authors:Armstrong, Z, Davies, G.
Deposit date:2022-09-07
Release date:2022-12-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors.
Chemmedchem, 18, 2023
8BAC
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BU of 8bac by Molmil
Crystal structure of human heparanase in complex with competitive inhibitor GD05
Descriptor: (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Armstrong, Z, Davies, G.J.
Deposit date:2022-10-11
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Synthesis of Uronic Acid 1-Azasugars as Putative Inhibitors of alpha-Iduronidase, beta-Glucuronidase and Heparanase.
Chembiochem, 24, 2023
8CQI
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BU of 8cqi by Molmil
Human heparanase in complex with inhibitor R3794
Descriptor: (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 1,5-anhydro-D-arabinitol, ...
Authors:Moran, E.M, Davies, G.J, Chen, C, Nieuwendijk, E.V, Wu, L, Skoulikopoulou, F, Riet, V.V, Overkleeft, H.S, Armstrong, Z.
Deposit date:2023-03-06
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
8JYG
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BU of 8jyg by Molmil
Crystal structure of Human HPSE1 in complex with inhibitor
Descriptor: (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-(3-phenoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Mima, M, Fujimoto, N, Imai, Y.
Deposit date:2023-07-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based lead optimization to improve potency and selectivity of a novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid series of heparanase-1 inhibitor.
Bioorg.Med.Chem., 93, 2023
7PR7
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BU of 7pr7 by Molmil
Crystal structure of human heparanase in complex with covalent inhibitor VL166
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wu, L, Armstrong, Z, Davies, G.J.
Deposit date:2021-09-21
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PR8
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BU of 7pr8 by Molmil
Crystal structure of human heparanase in complex with covalent inhibitor GR109
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wu, L, Armstrong, Z, Davies, G.J.
Deposit date:2021-09-21
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PRT
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BU of 7prt by Molmil
Crystal structure of human heparanase in complex with covalent inhibitor CB678
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-alpha-D-arabino-hexopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, ...
Authors:Wu, L, Armstrong, Z, Davies, G.J.
Deposit date:2021-09-22
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
5E98
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BU of 5e98 by Molmil
Crystal structure of human heparanase in complex with HepMer M04S02a
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Heparanase, ...
Authors:Wu, L, Davies, G.J.
Deposit date:2015-10-14
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural characterization of human heparanase reveals insights into substrate recognition.
Nat.Struct.Mol.Biol., 22, 2015
5E9B
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BU of 5e9b by Molmil
Crystal structure of human heparanase in complex with HepMer M09S05a
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, CHLORIDE ION, ...
Authors:Wu, L, Davies, G.J.
Deposit date:2015-10-14
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural characterization of human heparanase reveals insights into substrate recognition.
Nat.Struct.Mol.Biol., 22, 2015
8OHR
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BU of 8ohr by Molmil
Crystal structure of human heparanase in complex with glucuronic acid configured 3-geminal diol iminosugar inhibitor
Descriptor: (3~{S},4~{R})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J.
Deposit date:2023-03-21
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
8OHQ
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BU of 8ohq by Molmil
Crystal structure of human heparanase in complex with competitive inhibitor derrived from siastatin B
Descriptor: (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wu, L, Davies, G.J, Overkleeft, H.S, Armstrong, Z, Yurong, C.
Deposit date:2023-03-21
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
5E9C
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BU of 5e9c by Molmil
Crystal structure of human heparanase in complex with heparin tetrasaccharide dp4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Wu, L, Davies, G.J.
Deposit date:2015-10-15
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural characterization of human heparanase reveals insights into substrate recognition.
Nat.Struct.Mol.Biol., 22, 2015
5E8M
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BU of 5e8m by Molmil
Crystal structure of human heparanase
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Wu, L, Davies, G.J.
Deposit date:2015-10-14
Release date:2015-11-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural characterization of human heparanase reveals insights into substrate recognition.
Nat.Struct.Mol.Biol., 22, 2015

 

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