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3GRO
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BU of 3gro by Molmil
Human palmitoyl-protein thioesterase 1
Descriptor: Palmitoyl-protein thioesterase 1, UNKNOWN ATOM OR ION
Authors:Dobrovetsky, E, Seitova, A, Tong, Y, Tempel, W, Dong, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Cossar, D, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-03-26
Release date:2009-04-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Human palmitoyl-protein thioesterase 1
To be Published
4F7B
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BU of 4f7b by Molmil
Structure of the lysosomal domain of limp-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Neculai, D, Ravichandran, M, Seitova, A, Neculai, M, Pizzaro, J.C, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Dhe-Paganon, D, Structural Genomics Consortium (SGC)
Deposit date:2012-05-15
Release date:2013-10-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of LIMP-2 provides functional insights with implications for SR-BI and CD36.
Nature, 504, 2013
5E26
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BU of 5e26 by Molmil
Crystal structure of human PANK2: the catalytic core domain in complex with pantothenate and adenosine diphosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
Authors:DONG, A, LOPPNAU, P, RAVICHANDRAN, M, CHENG, C, TEMPEL, W, SEITOVA, A, HUTCHINSON, A, HONG, B.S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, Structural Genomics Consortium (SGC)
Deposit date:2015-09-30
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal structure of human PANK2: the catalytic core domain in complex with pantothenate and adenosine diphosphate
to be published
5WCF
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BU of 5wcf by Molmil
Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae)
Descriptor: (5R)-4-(5-bromofuran-2-carbonyl)-5-(4-fluorophenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Dong, A, Zeng, H, Hutch, A, Seitova, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2017-06-30
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:The Crystal Structure of Human HMT1 hnRNP methyltransferase-like protein 6 in complex with MTLLE1441
to be published
4JXM
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BU of 4jxm by Molmil
Crystal structure of RRP9 WD40 repeats
Descriptor: U3 small nucleolar RNA-interacting protein 2, UNKNOWN ATOM OR ION
Authors:Wu, X, Tempel, W, Xu, C, El Bakkouri, M, He, H, Seitova, A, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-03-28
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structure of RRP9 WD40 repeats
To be Published
3MQ4
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BU of 3mq4 by Molmil
Metabotropic glutamate receptor mGluR7 complexed with LY341495 antagonist
Descriptor: 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, MAGNESIUM ION, Metabotropic glutamate receptor 7
Authors:Dobrovetsky, E, Khutoreskaya, G, Seitova, A, He, H, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Cossar, D, Bochkarev, A, Structural Genomics Consortium (SGC)
Deposit date:2010-04-27
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:mGluR7 complexed with LY341495
To be Published
3NRU
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BU of 3nru by Molmil
Ligand binding domain of EPHA7
Descriptor: CHLORIDE ION, Ephrin receptor, SULFATE ION
Authors:Walker, J.R, Yermekbayeva, L, Seitova, A, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S.
Deposit date:2010-06-30
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Ephrin A7 ligand binding domain
To be Published
3P1I
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BU of 3p1i by Molmil
Ligand binding domain of human ephrin type-B receptor 3
Descriptor: CHLORIDE ION, Ephrin type-B receptor 3, SULFATE ION
Authors:Walker, J.R, Yermekbayeva, L, Seitova, A, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2010-09-30
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ligand Binding Domain of Human Ephb3
To be Published
3ICU
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BU of 3icu by Molmil
Protease-associated domain of the E3 ligase grail
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, E3 ubiquitin-protein ligase RNF128
Authors:Walker, J.R, Yermekbayeva, L, Seitova, A, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2009-07-18
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:PA Domain of the E3 Ligase Grail
To be Published
3KS9
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BU of 3ks9 by Molmil
Metabotropic glutamate receptor mGluR1 complexed with LY341495 antagonist
Descriptor: 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ...
Authors:Dobrovetsky, E, Khutoreskaya, G, Seitova, A, Cossar, D, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Bochkarev, A, Structural Genomics Consortium (SGC)
Deposit date:2009-11-20
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Metabotropic glutamate receptor mglur1 complexed with LY341495 antagonist
To be Published
3LMK
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BU of 3lmk by Molmil
Ligand Binding Domain of Metabotropoc glutamate receptor mGluR5 complexed with glutamate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, MAGNESIUM ION, ...
Authors:Dobrovetsky, E, Khutoreskaya, G, Seitova, A, Cossar, D, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Bochkarev, A, Structural Genomics Consortium (SGC)
Deposit date:2010-01-30
Release date:2010-02-16
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Metabotropic Glutamate receptor mGluR5 complexed with glutamate
To be Published
5DYL
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BU of 5dyl by Molmil
Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium Vivax - Apo form
Descriptor: cGMP-dependent protein kinase, putative
Authors:Wernimont, A.K, Tempel, W, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC)
Deposit date:2015-09-24
Release date:2015-11-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
5DYK
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BU of 5dyk by Molmil
Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum - Apo form
Descriptor: 1,2-ETHANEDIOL, CGMP-dependent protein kinase, GLYCEROL, ...
Authors:Wernimont, A.K, Tempel, W, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC)
Deposit date:2015-09-24
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
5DZC
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BU of 5dzc by Molmil
Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium Vivax - AMPPNP bound
Descriptor: CHLORIDE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SODIUM ION, ...
Authors:Walker, J.R, El Bakkouri, M, Loppnau, P, Graslund, S, He, H, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2015-09-25
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
5F0A
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BU of 5f0a by Molmil
CRYSTAL STRUCTURE OF PVX_084705 WITH BOUND 1-tert-butyl-3-(3-chlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine INHIBITOR
Descriptor: 1-tert-butyl-3-(3-chlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, cGMP-dependent protein kinase, putative
Authors:Walker, J.R, Wernimont, A.K, He, H, Seitova, A, Loppnau, P, Sibley, L.D, Graslund, S, Hutchinson, A, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Hui, R, El Bakkouri, M, Structural Genomics Consortium (SGC)
Deposit date:2015-11-27
Release date:2015-12-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:CRYSTAL STRUCTURE OF PVX_084705 WITH BOUND INHIBITOR
To be published
5FET
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BU of 5fet by Molmil
Crystal Structure of PVX_084705 in presence of Compound 2
Descriptor: 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine, cGMP-dependent protein kinase, putative
Authors:Wernimont, A.K, Tempel, W, Walker, J.R, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC)
Deposit date:2015-12-17
Release date:2016-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Crystal Structure of PVX_084705 in presence of Compound 2
To be published
8SAH
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BU of 8sah by Molmil
Huntingtin C-HEAT domain in complex with HAP40
Descriptor: 40-kDa huntingtin-associated protein, Huntingtin
Authors:Harding, R.J, Deme, J.C, Alteen, M.G, Arrowsmith, C.H, Lea, S.M, Structural Genomics Consortium (SGC)
Deposit date:2023-03-31
Release date:2023-04-26
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Delineation of functional subdomains of Huntingtin protein and their interaction with HAP40.
Structure, 31, 2023
4EBB
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BU of 4ebb by Molmil
Structure of DPP2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 2, ZINC ION
Authors:Shewchuk, L.M, Hassell, A.H, Sweitzer, S.M, Sweitzer, T.D, McDevitt, P.J, Kennedy-Wilson, K.M, Johanson, K.O.
Deposit date:2012-03-23
Release date:2012-09-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Human DPP7 Reveal the Molecular Basis of Specific Inhibition and the Architectural Diversity of Proline-Specific Peptidases.
Plos One, 7, 2012
5HZM
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BU of 5hzm by Molmil
Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae)
Descriptor: Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION
Authors:DONG, A, ZENG, H, WALKER, J.R, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, MIN, J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2016-02-02
Release date:2016-02-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural basis of arginine asymmetrical dimethylation by PRMT6.
Biochem. J., 473, 2016
6X9O
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BU of 6x9o by Molmil
High resolution cryoEM structure of huntingtin in complex with HAP40
Descriptor: 40-kDa huntingtin-associated protein, Huntingtin
Authors:Harding, R.J, Deme, J.C, Lea, S.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2020-06-03
Release date:2020-06-17
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Huntingtin structure is orchestrated by HAP40 and shows a polyglutamine expansion-specific interaction with exon 1.
Commun Biol, 4, 2021
3UR4
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BU of 3ur4 by Molmil
Crystal structure of human WD repeat domain 5 with compound
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Dong, A, Dombrovski, L, Senisterra, G, Wernimont, A, Wasney, G.A, Allali Hassani, A, Nguyen, K.T, Smil, D, Bolshan, Y, Hajian, T, Poda, G, Chau, I, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Brown, P, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2011-11-21
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
3SMR
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BU of 3smr by Molmil
Crystal structure of human WD repeat domain 5 with compound
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, UNKNOWN ATOM OR ION, ...
Authors:Dong, A, Dombrovski, L, Wasney, G.A, Tempel, W, Senisterra, G, Bolshan, Y, Smil, D, Nguyen, K.T, Hajian, T, Poda, G, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2011-06-28
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
4MI0
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BU of 4mi0 by Molmil
Human Enhancer of Zeste (Drosophila) Homolog 2(EZH2)
Descriptor: Histone-lysine N-methyltransferase EZH2, UNKNOWN ATOM OR ION, ZINC ION
Authors:Dong, A, Zeng, H, He, H, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2013-08-30
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the catalytic domain of EZH2 reveals conformational plasticity in cofactor and substrate binding sites and explains oncogenic mutations.
Plos One, 8, 2013
4I79
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BU of 4i79 by Molmil
Crystal structure of human NUP43
Descriptor: Nucleoporin Nup43, UNKNOWN ATOM OR ION, floating chain, ...
Authors:Xu, C, Tempel, W, Li, Z, He, H, Wernimont, A.K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2012-11-30
Release date:2013-02-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of human nuclear pore complex component NUP43.
Febs Lett., 589, 2015
2IPR
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BU of 2ipr by Molmil
Origin binding domain of the SV40 large T antigen (residues 131-259). P21 crystal form
Descriptor: large T antigen
Authors:Martynowski, D, Bochkareva, E, Bochkarev, A.
Deposit date:2006-10-12
Release date:2006-12-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the origin-binding domain of simian virus 40 large T antigen bound to DNA
Embo J., 25, 2006

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