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3F2R
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BU of 3f2r by Molmil
Crystal structure of human choline kinase alpha in complex with hemicholinium-3
Descriptor: (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium), Choline kinase alpha, UNKNOWN ATOM OR ION
Authors:Hong, B, Tempel, W, Rabeh, W.M, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2008-10-30
Release date:2008-11-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of human choline kinase alpha in complex with hemicholinium-3
To be Published
3GQY
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BU of 3gqy by Molmil
Activator-Bound Structure of Human Pyruvate Kinase M2
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine, L(+)-TARTARIC ACID, ...
Authors:Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-03-24
Release date:2009-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Activator-Bound Structures of Human Pyruvate Kinase M2
to be published
3GR4
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BU of 3gr4 by Molmil
Activator-Bound Structure of Human Pyruvate Kinase M2
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-03-24
Release date:2009-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Activator-Bound Structures of Human Pyruvate Kinase M2
to be published
3H6O
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BU of 3h6o by Molmil
Activator-Bound Structure of Human Pyruvate Kinase M2
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one, Pyruvate kinase isozymes M1/M2, ...
Authors:Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-04-23
Release date:2009-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Activator-Bound Structures of Human Pyruvate Kinase M2
to be published
3R90
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BU of 3r90 by Molmil
Crystal structure of Malignant T cell-amplified sequence 1 protein
Descriptor: GLYCEROL, Malignant T cell-amplified sequence 1, SULFATE ION, ...
Authors:Hong, B, Dimov, S, Tempel, W, Tong, Y, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2011-03-24
Release date:2011-04-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Malignant T cell-amplified sequence 1 protein
to be published
2OCB
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BU of 2ocb by Molmil
Crystal structure of human RAB9B in complex with a GTP analogue
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-9B, ...
Authors:Hong, B, Shen, L, Walker, J.R, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-12-20
Release date:2007-01-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of human RAB9B in complex with a GTP analogue
To be Published
2GF9
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BU of 2gf9 by Molmil
Crystal structure of human RAB3D in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-3D, ...
Authors:Hong, B, Wang, J, Shen, L, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-03-21
Release date:2006-05-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Crystal structure of human RAB3D in complex with GDP
To be Published
2HEI
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BU of 2hei by Molmil
Crystal structure of human RAB5B in complex with GDP
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Rab-5B
Authors:Hong, B, Shen, L, Wang, J, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-06-21
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of human RAB5B in complex with GDP
To be Published
3G2G
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BU of 3g2g by Molmil
S437Y Mutant of human muscle pyruvate kinase, isoform M2
Descriptor: Pyruvate kinase isozymes M1/M2, SULFATE ION, UNKNOWN ATOM OR ION
Authors:Hong, B, Dimov, S, Allali-Hassani, A, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, c, Weigelt, J, Bochkarev, A, Vedadi, M, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-01-31
Release date:2009-03-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:S437Y Mutant of human muscle pyruvate kinase, isoform M2
To be Published
6KFW
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BU of 6kfw by Molmil
The cytochrome P450 enzyme CxnD for C-S bond formation in chuangxinmycin biosynthesis
Descriptor: (2R)-3-(1H-indol-3-yl)-2-methylsulfanyl-propanoic acid, CxnD, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Hong, B.
Deposit date:2019-07-09
Release date:2020-07-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Cytochrome P450 Catalyzing C-S Bond Formation in S-Heterocyclization of Chuangxinmycin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
8A3N
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BU of 8a3n by Molmil
Geissoschizine synthase from Catharanthus roseus - binary complex with NADP+
Descriptor: Geissoschizine synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION
Authors:Langley, C, Tatsis, E, Hong, B, Nakamura, Y, Kamileen, M.O, Paetz, C, Stevenson, C.E.M, Basquin, J, Lawson, D.M, Caputi, L, O'Connor, S.E.
Deposit date:2022-06-08
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism.
Angew.Chem.Int.Ed.Engl., 61, 2022
3BPJ
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BU of 3bpj by Molmil
Crystal structure of human translation initiation factor 3, subunit 1 alpha
Descriptor: Eukaryotic translation initiation factor 3 subunit J, UNKNOWN ATOM OR ION
Authors:Tempel, W, Nedyalkova, L, Hong, B, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2007-12-18
Release date:2008-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of human translation initiation factor 3, subunit 1 alpha.
To be Published
7QUJ
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BU of 7quj by Molmil
Structure of NsNEPS2, a 7S-cis-trans nepetalactone synthase
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NsNEPS2
Authors:Hernandez Lozada, N.J, Hong, B, Wood, J.C, Caputi, L, Basquin, J, Chuang, L, Kunert, M, Rodriguez Lopez, C.R, Langley, C, Zhao, D, Buell, C.R, Lichman, B.R, O'Connor, S.E.
Deposit date:2022-01-18
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Biocatalytic routes to stereo-divergent iridoids.
Nat Commun, 13, 2022
3SMS
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BU of 3sms by Molmil
Human Pantothenate kinase 3 in complex with a pantothenate analog
Descriptor: (2R)-N-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, Pantothenate kinase 3, ...
Authors:Mottaghi, K, Tempel, W, Hong, B, Smil, D, Bolshan, Y, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2011-06-28
Release date:2011-07-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Human Pantothenate kinase 3 in complex with a pantothenate analog
to be published
3SMP
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BU of 3smp by Molmil
Monoclinic crystal structure of human pantothenate kinase 1 alpha
Descriptor: ACETYL COENZYME *A, ARSENIC, CHLORIDE ION, ...
Authors:Guan, X, Tempel, W, Hong, B, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2011-06-28
Release date:2011-07-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Monoclinic crystal structure of human pantothenate kinase 1 alpha
to be published
3ME3
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BU of 3me3 by Molmil
Activator-Bound Structure of Human Pyruvate Kinase M2
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 3-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}aniline, Pyruvate kinase isozymes M1/M2, ...
Authors:Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2010-03-31
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pyruvate kinase M2 activators promote tetramer formation and suppress tumorigenesis.
Nat.Chem.Biol., 8, 2012
3U2Z
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BU of 3u2z by Molmil
Activator-Bound Structure of Human Pyruvate Kinase M2
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 6-(3-aminobenzyl)-4-methyl-2-methylsulfinyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one, Pyruvate kinase isozymes M1/M2, ...
Authors:Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Inglese, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2011-10-04
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pyruvate kinase M2 activators promote tetramer formation and suppress tumorigenesis.
Nat.Chem.Biol., 8, 2012
8B1V
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BU of 8b1v by Molmil
Dihydroprecondylocarpine acetate synthase 2 from Tabernanthe iboga
Descriptor: Dihydroprecondylocarpine acetate synthase 2, ZINC ION, precondylocarpine acetate
Authors:Langley, C, Basquin, J, Caputi, L, O'Connor, S.E.
Deposit date:2022-09-12
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.882 Å)
Cite:Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism.
Angew.Chem.Int.Ed.Engl., 61, 2022
3CPF
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BU of 3cpf by Molmil
Crystal structure of human eukaryotic translation initiation factor EIF5A
Descriptor: Eukaryotic translation initiation factor 5A-1, UNKNOWN ATOM OR ION
Authors:Nedyalkova, L, Tong, Y, Tempel, W, Hong, B, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2008-03-31
Release date:2008-04-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of human eIF5A1: insight into functional similarity of human eIF5A1 and eIF5A2.
Proteins, 75, 2009
8B26
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BU of 8b26 by Molmil
Dihydroprecondylocarpine acetate synthase 2 from Tabernanthe iboga
Descriptor: Dihydroprecondylocarpine acetate synthase 2, ZINC ION
Authors:Langley, C, Basquin, J, Caputi, L, O'Connor, S.E.
Deposit date:2022-09-13
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism.
Angew.Chem.Int.Ed.Engl., 61, 2022
8B25
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BU of 8b25 by Molmil
Dihydroprecondylocarpine acetate synthase 2 from Tabernanthe iboga - stemmadenine acetate bound structure
Descriptor: 1,2-ETHANEDIOL, Dihydroprecondylocarpine acetate synthase 2, SULFATE ION, ...
Authors:Langley, C, Basquin, J, Caputi, L, O'Connor, S.E.
Deposit date:2022-09-13
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism.
Angew.Chem.Int.Ed.Engl., 61, 2022
8B27
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BU of 8b27 by Molmil
Dihydroprecondylocarpine acetate synthase from Catharanthus roseus
Descriptor: Dehydroprecondylocarpine acetate synthase, SULFATE ION
Authors:Langley, C, Basquin, J, Caputi, L, O'Connor, S.E.
Deposit date:2022-09-13
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism.
Angew.Chem.Int.Ed.Engl., 61, 2022
5VAG
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BU of 5vag by Molmil
Crystal structure of H7-specific antibody m826 in complex with the HA1 domain of hemagglutinin from H7N9 influenza virus
Descriptor: 1,2-ETHANEDIOL, Heavy chain of antibody m826, Hemagglutinin, ...
Authors:Song, H, Ying, T, Ji, X.
Deposit date:2017-03-26
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Potent Germline-like Human Monoclonal Antibody Targets a pH-Sensitive Epitope on H7N9 Influenza Hemagglutinin.
Cell Host Microbe, 22, 2017
5ELZ
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BU of 5elz by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N-(1,3-benzodioxol-5-ylmethyl)-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ...
Authors:Mottaghi, K, Hughes, S.J, Tempel, W, Hong, B, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2015-11-05
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product.
Acs Infect Dis., 2, 2016
4M7Y
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BU of 4m7y by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog
Descriptor: ADENOSINE-5'-DIPHOSPHATE, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-pentyl-beta-alaninamide, PHOSPHATE ION, ...
Authors:Mottaghi, K, Hong, B, Tempel, W, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2013-08-12
Release date:2014-09-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product.
ACS Infect Dis, 2, 2016

 

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