5E8M
| 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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5GKW
| crystal structure of SZ529 complex with (R,R)-cyclopentanediol | Descriptor: | (1~{R},2~{R})-cyclopentane-1,2-diol, Limonene-1,2-epoxide hydrolase | Authors: | Wu, L, Sun, Z.T, Reetz, M.T, Zhou, J.H. | Deposit date: | 2016-07-07 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | crystal structure of SZ529 complex with (R,R)-cyclopentanediol To Be Published
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5E97
| Glycoside Hydrolase ligand structure 1 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, 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: | 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
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8OHQ
| 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
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8HIV
| The structure of apo-SoBcmB with Fe(II) and AKG | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, Fe/2OG dependent dioxygenase | Authors: | Wu, L, Zhou, J.H. | Deposit date: | 2022-11-22 | Release date: | 2023-07-05 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2000308 Å) | Cite: | The structure of apo-SoBcmB with Fe(II) and AKG To Be Published
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5ZOL
| Crystal structure of a three sites mutantion of FSAA complexed with HA and product | Descriptor: | (3S,4S)-3,4-dihydroxy-4-(thiophen-2-yl)butan-2-one, 1-hydroxypropan-2-one, CHLORIDE ION, ... | Authors: | Wu, L, Yang, X.H, Yu, H.W, Zhou, J.H. | Deposit date: | 2018-04-13 | Release date: | 2019-06-12 | Last modified: | 2020-07-22 | Method: | X-RAY DIFFRACTION (2.172 Å) | Cite: | The engineering of decameric d-fructose-6-phosphate aldolase A by combinatorial modulation of inter- and intra-subunit interactions. Chem.Commun.(Camb.), 56, 2020
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6HZY
| Crystal structure of a bacterial fucosidase with inhibitor FucPUG | Descriptor: | 1,2-ETHANEDIOL, Alpha-L-fucosidase, SULFATE ION, ... | Authors: | Wu, L, Davies, G.J, Stubbs, K.A, Coyle, T, Debowski, A.W. | Deposit date: | 2018-10-24 | Release date: | 2019-02-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Synthetic and Crystallographic Insight into Exploiting sp2Hybridization in the Development of alpha-l-Fucosidase Inhibitors. Chembiochem, 20, 2019
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6KTW
| structure of EanB with hercynine | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Wu, L, Liu, P.H, Zhou, J.H. | Deposit date: | 2019-08-29 | Release date: | 2020-08-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.931 Å) | Cite: | Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis Acs Catalysis, 10, 2020
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6KU2
| The structure of EanB/Y353A complex with ergothioneine covalent linked with persulfide Cys412 | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ... | Authors: | Wu, L, Liu, P.H, Zhou, J.H. | Deposit date: | 2019-08-30 | Release date: | 2020-08-26 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis Acs Catalysis, 10, 2020
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6KTZ
| The complex structure of EanB/C412S with hercynine | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ... | Authors: | Wu, L, Liu, P.H, Zhou, J.H. | Deposit date: | 2019-08-29 | Release date: | 2020-08-26 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis Acs Catalysis, 10, 2020
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6KTV
| The structure of EanB complex with hercynine and persulfided Cys412 | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, CHLORIDE ION, ... | Authors: | Wu, L, Liu, P.H, Zhou, J.H. | Deposit date: | 2019-08-29 | Release date: | 2020-08-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis Acs Catalysis, 10, 2020
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6KVY
| The structure of EanB/T414A complex with hercynine | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N,N,N-trimethyl-histidine, ... | Authors: | Wu, L, Liu, P.H, Zhou, J.H. | Deposit date: | 2019-09-05 | Release date: | 2020-09-09 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | The structure of EanB/T414A complex with hercynine To Be Published
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6KW0
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6KTX
| The wildtype structure of EanB | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ... | Authors: | Wu, L, Liu, P.H, Zhou, J.H. | Deposit date: | 2019-08-29 | Release date: | 2020-08-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.189 Å) | Cite: | Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis Acs Catalysis, 10, 2020
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6KVZ
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6KU1
| The structure of EanB/Y353A complex with ergothioneine | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Wu, L, Liu, P.H, Zhou, J.H. | Deposit date: | 2019-08-30 | Release date: | 2020-08-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis Acs Catalysis, 10, 2020
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6KVW
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5YNG
| Crystal structure of SZ348 in complex with cyclopentene oxide | Descriptor: | (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase, NICKEL (II) ION, ... | Authors: | Wu, L, Sun, Z.T, Reetz, M.T, Zhou, J.H. | Deposit date: | 2017-10-24 | Release date: | 2018-06-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations. J. Am. Chem. Soc., 140, 2018
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8CQI
| 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
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4GVJ
| Tyk2 (JH1) in complex with adenosine di-phosphate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Liang, J, Abbema, A.V, Bao, L, Barrett, K, Beresini, M, Berezhkovskiy, L, Blair, W, Chang, C, Driscoll, J, Eigenbrot, C, Ghilardi, N, Gibbons, P, Halladay, J, Johnson, A, Kohli, P.B, Lai, Y, Liimatta, M, Mantik, P, Menghrajani, K, Murray, J, Sambrone, A, Shao, Y, Shia, S, Shin, Y, Smith, J, Sohn, S, Stanley, M, Tsui, V, Ultsch, M, Wu, L, Zhang, B, Magnuson, S. | Deposit date: | 2012-08-30 | Release date: | 2013-08-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Lead identification of novel and selective TYK2 inhibitors. Eur.J.Med.Chem., 67, 2013
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6RRH
| GOLGI ALPHA-MANNOSIDASE II | Descriptor: | 1,2-ETHANEDIOL, Alpha-mannosidase 2, ZINC ION | Authors: | Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2019-05-18 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors. J.Am.Chem.Soc., 142, 2020
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6RQZ
| GOLGI ALPHA-MANNOSIDASE II complex with Manno-epi-cyclophellitol aziridine | Descriptor: | (1~{R},2~{S},3~{R},4~{R},5~{S},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, Alpha-mannosidase 2, ... | Authors: | Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, Debets, M, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2019-05-16 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors. J.Am.Chem.Soc., 142, 2020
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6RRW
| GOLGI ALPHA-MANNOSIDASE II in complex with (2R,3R,4R,5S)-1-(5-{[4-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)benzyl]oxy}pentyl)-2-(hydroxymethyl)-3,4,5-piperidinetriol | Descriptor: | (2~{R},3~{R},4~{R},5~{S})-1-[5-[[4-(3,4-dihydro-2~{H}-1,5-benzodioxepin-7-yl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol, Alpha-mannosidase 2, ZINC ION | Authors: | Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2019-05-20 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors. J.Am.Chem.Soc., 142, 2020
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4GA7
| Crystal structure of human serpinB1 mutant | Descriptor: | Leukocyte elastase inhibitor | Authors: | Wang, L, Li, Q, Wu, L, Zhang, K, Tong, L, Sun, F, Fan, Z. | Deposit date: | 2012-07-25 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Identification of SERPINB1 as a physiological inhibitor of human granzyme H J.Immunol., 190, 2013
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4GAW
| Crystal structure of active human granzyme H | Descriptor: | CHLORIDE ION, Granzyme H, SULFATE ION | Authors: | Wang, L, Li, Q, Wu, L, Zhang, K, Tong, L, Sun, F, Fan, Z. | Deposit date: | 2012-07-25 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Identification of SERPINB1 as a physiological inhibitor of human granzyme H J.Immunol., 190, 2013
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