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3GJB
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BU of 3gjb by Molmil
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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BU of 3gja by Molmil
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
3U33
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BU of 3u33 by Molmil
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
5LQF
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BU of 5lqf by Molmil
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
3JB9
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BU of 3jb9 by Molmil
Cryo-EM structure of the yeast spliceosome at 3.6 angstrom resolution
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Yan, C, Hang, J, Wan, R, Huang, M, Wong, C, Shi, Y.
Deposit date:2015-08-09
Release date:2015-09-23
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of a yeast spliceosome at 3.6-angstrom resolution
Science, 349, 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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BU of 7op6 by Molmil
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
2WSM
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BU of 2wsm by Molmil
Crystal structure of Hydrogenase Maturation Factor HypB From Archaeoglobus Fulgidus
Descriptor: CHLORIDE ION, HYDROGENASE EXPRESSION/FORMATION PROTEIN (HYPB)
Authors:Wong, K.B, Li, T.
Deposit date:2009-09-08
Release date:2010-09-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for GTP-Dependent Dimerization of Hydrogenase Maturation Factor Hypb.
Plos One, 7, 2012
5M55
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BU of 5m55 by Molmil
Nek2 bound to arylaminopurine 71
Descriptor: 6-[(~{Z})-2-(diethylamino)ethenyl]-~{N}-phenyl-7~{H}-purin-2-amine, CHLORIDE ION, SULFATE ION, ...
Authors:Bayliss, R.
Deposit date:2016-10-20
Release date:2016-11-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-guided design of purine-based probes for selective Nek2 inhibition.
Oncotarget, 8, 2017
5M51
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BU of 5m51 by Molmil
Nek2 bound to arylaminopurine compound 8
Descriptor: 3-[[6-(cyclohexylmethoxy)-9~{H}-purin-2-yl]amino]benzamide, Serine/threonine-protein kinase Nek2
Authors:Bayliss, R, Yeoh, S.
Deposit date:2016-10-20
Release date:2016-11-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Structure-guided design of purine-based probes for selective Nek2 inhibition.
Oncotarget, 8, 2017
5M53
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BU of 5m53 by Molmil
Nek2 bound to arylaminopurine inhibitor 11
Descriptor: 1,2-ETHANEDIOL, 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N},~{N}-dimethyl-benzamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Bayliss, R, Carr, K.H.
Deposit date:2016-10-20
Release date:2016-11-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided design of purine-based probes for selective Nek2 inhibition.
Oncotarget, 8, 2017
5M57
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BU of 5m57 by Molmil
Nek2 bound to arylaminopurine 6
Descriptor: O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE, Serine/threonine-protein kinase Nek2
Authors:Bayliss, R.
Deposit date:2016-10-20
Release date:2016-11-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided design of purine-based probes for selective Nek2 inhibition.
Oncotarget, 8, 2017
2NC6
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BU of 2nc6 by Molmil
Solution Structure of N-L-idosylated Pin1 WW Domain
Descriptor: Pin1 WW Domain, beta-L-idopyranose
Authors:Hsu, C, Park, S, Mortenson, D.E, Foley, B, Wang, X, Woods, R.J, Case, D.A, Powers, E.T, Wong, C, Dyson, H, Kelly, J.W.
Deposit date:2016-03-20
Release date:2016-06-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate.
J.Am.Chem.Soc., 138, 2016
2NC5
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BU of 2nc5 by Molmil
Solution Structure of N-Xylosylated Pin1 WW Domain
Descriptor: Pin1 WW Domain, beta-D-xylopyranose
Authors:Hsu, C, Park, S, Mortenson, D.E, Foley, B, Wang, X, Woods, R.J, Case, D.A, Powers, E.T, Wong, C, Dyson, H, Kelly, J.W.
Deposit date:2016-03-20
Release date:2016-06-08
Last modified:2020-07-29
Method:SOLUTION NMR
Cite:The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate.
J.Am.Chem.Soc., 138, 2016
2NC3
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BU of 2nc3 by Molmil
Solution Structure of N-Allosylated Pin1 WW Domain
Descriptor: Pin1 WW Domain, beta-D-allopyranose
Authors:Hsu, C, Park, S, Mortenson, D.E, Foley, B, Wang, X, Woods, R.J, Case, D.A, Powers, E.T, Wong, C, Dyson, H, Kelly, J.W.
Deposit date:2016-03-20
Release date:2016-06-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate.
J.Am.Chem.Soc., 138, 2016
2NC4
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BU of 2nc4 by Molmil
Solution Structure of N-Galactosylated Pin1 WW Domain
Descriptor: Pin1 WW Domain, beta-D-galactopyranose
Authors:Hsu, C, Park, S, Mortenson, D.E, Foley, B, Wang, X, Woods, R.J, Case, D.A, Powers, E.T, Wong, C, Dyson, H, Kelly, J.W.
Deposit date:2016-03-20
Release date:2016-06-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate.
J.Am.Chem.Soc., 138, 2016
6FIV
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BU of 6fiv by Molmil
STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR
Descriptor: RETROPEPSIN, SULFATE ION, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
Authors:Li, M, Lee, T, Morris, G, Laco, G, Wong, C, Olson, A, Elder, J, Wlodawer, A, Gustchina, A.
Deposit date:1998-12-02
Release date:1998-12-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000
2M9F
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BU of 2m9f by Molmil
NMR solution structure of Pin1 WW domain mutant 5-1g
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Enck, S, Chen, W, Price, J.L, Powers, E.T, Wong, C, Dyson, H.J, Kelly, J.W.
Deposit date:2013-06-07
Release date:2013-06-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and energetic basis of carbohydrate-aromatic packing interactions in proteins.
J.Am.Chem.Soc., 135, 2013
2M9E
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BU of 2m9e by Molmil
NMR solution structure of Pin1 WW domain mutant 5-1
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Enck, S, Chen, W, Price, J.L, Powers, E.T, Wong, C, Dyson, H.J, Kelly, J.W.
Deposit date:2013-06-07
Release date:2013-06-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and energetic basis of carbohydrate-aromatic packing interactions in proteins.
J.Am.Chem.Soc., 135, 2013
2M9J
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BU of 2m9j by Molmil
NMR solution structure of Pin1 WW domain mutant 6-1g
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Enck, S, Chen, W, Price, J.L, Powers, E.T, Wong, C, Dyson, H.J, Kelly, J.W.
Deposit date:2013-06-10
Release date:2013-06-26
Last modified:2020-07-29
Method:SOLUTION NMR
Cite:Structural and energetic basis of carbohydrate-aromatic packing interactions in proteins.
J.Am.Chem.Soc., 135, 2013
2M9I
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BU of 2m9i by Molmil
NMR solution structure of Pin1 WW domain variant 6-1
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Enck, S, Chen, W, Price, J.L, Powers, E.T, Wong, C, Dyson, H.J, Kelly, J.W.
Deposit date:2013-06-10
Release date:2013-06-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and energetic basis of carbohydrate-aromatic packing interactions in proteins.
J.Am.Chem.Soc., 135, 2013
3TLH
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BU of 3tlh by Molmil
STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITHAN EFFICIENT INHIBITOR OF FIV PR
Descriptor: PROTEIN (PROTEASE), benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
Authors:Li, M, Lee, T, Morris, G, Laco, G, Wong, C, Olson, A, Elder, J, Wlodawer, A, Gustchina, A.
Deposit date:1998-12-03
Release date:1998-12-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000
6UUO
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BU of 6uuo by Molmil
Crystal structure of BRAF kinase domain bound to the PROTAC P4B
Descriptor: N-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf
Authors:Maisonneuve, P, Posternak, G, Kurinov, I, Sicheri, F.
Deposit date:2019-10-30
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.288 Å)
Cite:Functional characterization of a PROTAC directed against BRAF mutant V600E.
Nat.Chem.Biol., 16, 2020
5FIV
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BU of 5fiv by Molmil
STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR
Descriptor: RETROPEPSIN, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
Authors:Li, M, Lee, T, Morris, G, Laco, G, Wong, C, Olson, A, Elder, J, Wlodawer, A, Gustchina, A.
Deposit date:1998-12-02
Release date:1998-12-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000

217705

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