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PDB: 75 results

5N3W
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Crystal structure of LTA4H bound to a selective inhibitor against LTB4 generation
Descriptor: 3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-phenol, ACETATE ION, IMIDAZOLE, ...
Authors:Wong, C.T, Low, C.M, Snelgrove, R.J, Hare, S.A.
Deposit date:2017-02-09
Release date:2017-03-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The development of novel LTA4H modulators to selectively target LTB4 generation.
Sci Rep, 7, 2017
8IYF
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Structure of VldE-H182A in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Validamine 7-phosphate valienyltransferase
Authors:Wong, C.P, Mori, T, Mahmud, T, Abe, I.
Deposit date:2023-04-04
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of VldE-H182A in complex with GDP
To Be Published
8IYE
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Structure of VldE-D158N in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Validamine 7-phosphate valienyltransferase
Authors:Wong, C.P, Mori, T, Mahmud, T, Abe, I.
Deposit date:2023-04-04
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of VldE-D158N in complex with GDP
To Be Published
7Y5A
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BU of 7y5a by Molmil
Cryo-EM structure of the Mycolicibacterium smegmatis F1-ATPase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ...
Authors:Wong, C.F, Saw, W.-G, Grueber, G.
Deposit date:2022-06-16
Release date:2022-11-23
Last modified:2023-01-11
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural Elements Involved in ATP Hydrolysis Inhibition and ATP Synthesis of Tuberculosis and Nontuberculous Mycobacterial F-ATP Synthase Decipher New Targets for Inhibitors.
Antimicrob.Agents Chemother., 66, 2022
3U33
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Crystal Structure of the E. coli adaptive response protein AidB in the space group P3(2)
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Putative acyl-CoA dehydrogenase AidB
Authors:Wong, C, Jost, M, Drennan, C.L.
Deposit date:2011-10-04
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Flavin-induced oligomerization in Escherichia coli adaptive response protein AidB.
Biochemistry, 50, 2011
3GJB
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CytC3 with Fe(II) and alpha-ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, ACETATE ION, CytC3, ...
Authors:Wong, C, Drennan, C.L.
Deposit date:2009-03-08
Release date:2009-04-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of an open active site conformation of nonheme iron halogenase CytC3
J.Am.Chem.Soc., 131, 2009
3GJA
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CytC3
Descriptor: ACETATE ION, CytC3
Authors:Wong, C, Drennan, C.L.
Deposit date:2009-03-08
Release date:2009-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of an open active site conformation of nonheme iron halogenase CytC3
J.Am.Chem.Soc., 131, 2009
5EE4
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BU of 5ee4 by Molmil
The crystal structure of HpuA from Kingella denitrificans in complex with human haemoglobin
Descriptor: GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Wong, C.T, Hare, S.A.
Deposit date:2015-10-22
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural analysis of haemoglobin binding by HpuA from the Neisseriaceae family.
Nat Commun, 6, 2015
5Y4G
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Apo Structure of AmbP3
Descriptor: AmbP3
Authors:Wong, C.P, Awakawa, T, Nakashima, Y.
Deposit date:2017-08-03
Release date:2018-07-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Two Distinct Substrate Binding Modes for the Normal and Reverse Prenylation of Hapalindoles by the Prenyltransferase AmbP3
Angew. Chem. Int. Ed. Engl., 57, 2018
5Y72
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BU of 5y72 by Molmil
DMSPP Bound AmbP3
Descriptor: AmbP3, DIMETHYLALLYL S-THIOLODIPHOSPHATE
Authors:Wong, C.P, Awakawa, T, Nakashima, Y.
Deposit date:2017-08-16
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Two Distinct Substrate Binding Modes for the Normal and Reverse Prenylation of Hapalindoles by the Prenyltransferase AmbP3
Angew. Chem. Int. Ed. Engl., 57, 2018
5Y84
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Hapalindole U and DMSPP Bound AmbP3
Descriptor: AmbP3, DIMETHYLALLYL S-THIOLODIPHOSPHATE, Hapalindole U
Authors:Wong, C.P, Awakawa, T, Nakashima, Y.
Deposit date:2017-08-18
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Two Distinct Substrate Binding Modes for the Normal and Reverse Prenylation of Hapalindoles by the Prenyltransferase AmbP3
Angew. Chem. Int. Ed. Engl., 57, 2018
5Y7C
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Hapalindole A and DMSPP Bound AmbP3
Descriptor: AmbP3, DIMETHYLALLYL S-THIOLODIPHOSPHATE, Hapalindole A
Authors:Wong, C.P, Awakawa, T, Nakashima, Y.
Deposit date:2017-08-16
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Two Distinct Substrate Binding Modes for the Normal and Reverse Prenylation of Hapalindoles by the Prenyltransferase AmbP3
Angew. Chem. Int. Ed. Engl., 57, 2018
5EC6
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BU of 5ec6 by Molmil
The apo crystal structure of haemoglobin receptor HpuA from Kingella denitrificans
Descriptor: GLYCEROL, Hemoglobin-haptoglobin-utilization protein
Authors:Wong, C.T, Garnett, J.A, Hare, S.A.
Deposit date:2015-10-20
Release date:2015-11-04
Last modified:2023-03-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural analysis of haemoglobin binding by HpuA from the Neisseriaceae family.
Nat Commun, 6, 2015
5EE2
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BU of 5ee2 by Molmil
The crystal structure of the C-terminal beta-barrel of HpuA from Neisseria gonorrhoeae
Descriptor: Hemoglobin-haptoglobin-utilization protein
Authors:Wong, C.T, Hare, S.A.
Deposit date:2015-10-22
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural analysis of haemoglobin binding by HpuA from the Neisseriaceae family.
Nat Commun, 6, 2015
7OP7
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BU of 7op7 by Molmil
Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno-configured N-alkyl cyclophellitol aziridine
Descriptor: (1R,2S,3R,4S,5R,6R)-5-(8-azidooctylamino)-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, BROMIDE ION, ...
Authors:McGregor, N.G.S, Beenakker, T.J.M, Kuo, C, Wong, C, Offen, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H.S, Davies, G.J.
Deposit date:2021-05-29
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases.
Org.Biomol.Chem., 20, 2022
7OP6
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Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno-configured cyclophellitol aziridine
Descriptor: (1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, BROMIDE ION, ...
Authors:McGregor, N.G.S, Beenakker, T.J.M, Kuo, C, Wong, C, Offen, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H.S, Davies, G.J.
Deposit date:2021-05-29
Release date:2022-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases.
Org.Biomol.Chem., 20, 2022
7OMS
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BU of 7oms by Molmil
Bs164 in complex with mannocyclophellitol aziridine
Descriptor: (1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:McGregor, N, Beenakker, T, Kuo, C.L, Wong, C.S, Offren, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H, Davies, G.J.
Deposit date:2021-05-24
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases.
Org.Biomol.Chem., 20, 2022
5H64
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BU of 5h64 by Molmil
Cryo-EM structure of mTORC1
Descriptor: Regulatory-associated protein of mTOR, Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8
Authors:Yang, H, Wang, J, Liu, M, Chen, X, Huang, M, Tan, D, Dong, M, Wong, C.C.L, Wang, J, Xu, Y, Wang, H.
Deposit date:2016-11-10
Release date:2017-01-25
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:4.4 angstrom Resolution Cryo-EM structure of human mTOR Complex 1
Protein Cell, 7, 2016
5LQF
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CDK1/CyclinB1/CKS2 in complex with NU6102
Descriptor: Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ...
Authors:Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B.J, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E, Newell, D.R, Turner, D.M, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Endicott, J.A, Cano, C.
Deposit date:2016-08-17
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines.
J. Med. Chem., 60, 2017
5NEV
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BU of 5nev by Molmil
CDK2/Cyclin A in complex with compound 73
Descriptor: 4-[[6-(3-phenylphenyl)-7~{H}-purin-2-yl]amino]benzenesulfonamide, Cyclin-A2, Cyclin-dependent kinase 2
Authors:Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E.M, Newell, D.R, Turner, D, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Cano, G.
Deposit date:2017-03-12
Release date:2017-03-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines.
J. Med. Chem., 60, 2017
6RRH
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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
6RQZ
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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
6RRW
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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
6RPC
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BU of 6rpc by Molmil
GOLGI ALPHA-MANNOSIDASE II
Descriptor: 1,2-ETHANEDIOL, Alpha-mannosidase 2, SUCCINIC ACID, ...
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:2019-05-14
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.69 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
6RRN
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BU of 6rrn by Molmil
GOLGI ALPHA-MANNOSIDASE II in complex with pentyl 2,5-dideoxy-2,5-imino-D-talo-hexonamide
Descriptor: (2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-~{N}-pentyl-pyrrolidine-2-carboxamide, 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, 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 (1.59 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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