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4ASI
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BU of 4asi by Molmil
Crystal structure of human ACACA C-terminal domain
Descriptor: ACETYL-COA CARBOXYLASE 1
Authors:Froese, D.S, Muniz, J.R.C, Kiyani, W, Krojer, T, Vollmar, M, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, Yue, W.W.
Deposit date:2012-05-01
Release date:2012-08-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of Human Acaca C-Terminal Domain
To be Published
3RAW
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BU of 3raw by Molmil
Crystal Structure of human CDC-like kinase 3 isoform in complex with leucettine L41
Descriptor: 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, Dual specificity protein kinase CLK3
Authors:Filippakopoulos, P, Fedorov, O, King, O, Debdab, M, Carreaux, F, Renault, S, Bullock, A, Muniz, J.R.C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Meijer, L, Bazureau, J.P, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-03-28
Release date:2011-05-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal Structure of human CDC-like kinase 3 isoform with a benzo-dioxol ligand
To be Published
3RAY
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BU of 3ray by Molmil
Crystal structure of Methyltransferase domain of human PR domain-containing protein 11
Descriptor: CHLORIDE ION, PR domain-containing protein 11, SODIUM ION, ...
Authors:Dong, A, Zeng, H, Loppnau, P, Walker, J.R, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2011-03-28
Release date:2011-04-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal structure of Methyltransferase domain of human PR domain-containing protein 11
To be Published
4CUP
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BU of 4cup by Molmil
Crystal structure of human BAZ2B in complex with fragment-1 N09421
Descriptor: 4-Fluorobenzamidoxime, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B, METHANOL
Authors:Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F.
Deposit date:2014-03-21
Release date:2014-04-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal Structure of Human Baz2B in Complex with Fragment-1 N09421
To be Published
6SFO
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BU of 6sfo by Molmil
MAPK14 with bound inhibitor SR-318
Descriptor: 5-azanyl-~{N}-[[4-(3-cyclohexylpropylcarbamoyl)phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, GLYCEROL, Mitogen-activated protein kinase 14, ...
Authors:Schroeder, M, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2019-08-01
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:MAPK14 with bound inhibitor SR-318
To Be Published
3PPA
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BU of 3ppa by Molmil
Structure of the Dusp-Ubl domains of Usp15
Descriptor: CITRIC ACID, SULFATE ION, Ubiquitin carboxyl-terminal hydrolase 15
Authors:Walker, J.R, Asinas, A.E, Dong, A, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2010-11-24
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of the Dusp-Ubl Domains of the Ubiquitin-Specific Protease 15
To be Published
3PFY
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BU of 3pfy by Molmil
The catalytic domain of human OTUD5
Descriptor: DI(HYDROXYETHYL)ETHER, OTU domain-containing protein 5, SULFATE ION, ...
Authors:Walker, J.R, Asinas, A.E, Crombet, L, Dong, A, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2010-10-29
Release date:2010-12-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:The catalytic domain of human OTUD5
To be Published
3PFV
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BU of 3pfv by Molmil
Crystal structure of Cbl-b TKB domain in complex with EGFR pY1069 peptide
Descriptor: 1,2-ETHANEDIOL, 11-meric peptide from Epidermal growth factor receptor, CHLORIDE ION, ...
Authors:Chaikuad, A, Guo, K, Cooper, C.D.O, Ayinampudi, V, Krojer, T, Muniz, J.R.C, Vollmar, M, Canning, P, Gileadi, O, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2010-10-29
Release date:2010-12-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal structure of Cbl-b TKB domain in complex with EGFR pY1069 peptide
To be Published
6SXW
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BU of 6sxw by Molmil
Crystal structure of the first RRM domain of human Zinc finger protein 638 (ZNF638)
Descriptor: SULFATE ION, Zinc finger protein 638
Authors:Newman, J.A, Aitkenhead, H, Wang, D, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2019-09-26
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.751 Å)
Cite:Crystal structure of the first RRM domain of human Zinc finger protein 638 (ZNF638)
To Be Published
3PFN
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BU of 3pfn by Molmil
Crystal Structure of human NAD kinase
Descriptor: NAD kinase, UNKNOWN ATOM OR ION
Authors:Wang, H, Tempel, W, Wernimont, A.K, Tong, Y, Guan, X, Shen, Y, Li, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2010-10-28
Release date:2010-11-10
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of human NAD kinase
to be published
6SRH
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BU of 6srh by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117
Descriptor: 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ...
Authors:Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2019-09-05
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117
To Be Published
4CUR
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BU of 4cur by Molmil
Crystal structure of human BAZ2B in complex with fragment-3 N09555
Descriptor: 1,2-ETHANEDIOL, 2-(hydroxymethyl)-6-methylpyridin-3-ol, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B
Authors:Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F.
Deposit date:2014-03-21
Release date:2014-04-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.842 Å)
Cite:Crystal Structure of Human Baz2B in Complex with Fragment-3 N09553
To be Published
3Q5K
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BU of 3q5k by Molmil
Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K213 in the presence of an inhibitor
Descriptor: 4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-{[2-(methylsulfanyl)ethyl]amino}benzamide, Heat shock protein 83-1
Authors:Wernimont, A.K, Tempel, W, Lin, Y.H, Hutchinson, A, MacKenzie, F, Fairlamb, A, Cossar, D, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2010-12-28
Release date:2011-02-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K213 in the presence of an inhibitor
To be Published
3QF9
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BU of 3qf9 by Molmil
Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a furan-thiazolidinedione ligand
Descriptor: 6-{5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}naphthalene-1-carboxamide, CHLORIDE ION, Proto-oncogene serine/threonine-protein kinase pim-1, ...
Authors:Filippakopoulos, P, Bullock, A.N, Fedorov, O, Miduturu, C.V, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Grey, N, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-01-21
Release date:2011-03-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a furan-thiazolidinedione ligand
To be Published
3QIJ
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BU of 3qij by Molmil
Primitive-monoclinic crystal structure of the FERM domain of protein 4.1R
Descriptor: Protein 4.1, UNKNOWN ATOM OR ION
Authors:Nedyalkova, L, Zhong, N, Tong, Y, Tempel, W, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2011-01-27
Release date:2011-02-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Primitive-monoclinic crystal structure of the FERM domain of protein 4.1R
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
4CUU
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BU of 4cuu by Molmil
Crystal structure of human BAZ2B in complex with fragment-6 N09645
Descriptor: (2R)-1,2,3,4-tetrahydroquinoline-2,7-diol, 1,2-ETHANEDIOL, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B
Authors:Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F.
Deposit date:2014-03-21
Release date:2014-04-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Crystal Structure of Human Baz2B in Complex with Fragment-6 N09645
To be Published
4CUQ
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BU of 4cuq by Molmil
Crystal structure of human BAZ2B in complex with fragment-2 N09594
Descriptor: 4-[(3S)-3-hydroxy-3-methoxypropyl]phenol, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B
Authors:Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F.
Deposit date:2014-03-21
Release date:2014-04-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal Structure of Human Baz2B in Complex with Fragment-2 N09594
To be Published
3Q5L
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BU of 3q5l by Molmil
Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K 213 in the presence of 17-AEP-geldanamycin
Descriptor: (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-{[2-(pyrrolidin-1-yl)ethyl]amino}-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate, Heat shock protein 83-1
Authors:Wernimont, A.K, Tempel, W, Lin, Y.H, Hutchinson, A, MacKenzie, F, Fairlamb, A, Cossar, D, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2010-12-28
Release date:2011-02-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K 213 in the presence of 17-AEP-geldanamycin.
To be Published
3RMU
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BU of 3rmu by Molmil
Crystal structure of human Methylmalonyl-CoA epimerase, MCEE
Descriptor: 1,2-ETHANEDIOL, COBALT (II) ION, Methylmalonyl-CoA epimerase, ...
Authors:Chaikuad, A, Krysztofinska, E, Froese, D.S, Yue, W.W, Vollmar, M, Muniz, J.R.C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2011-04-21
Release date:2011-05-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human Methylmalonyl-CoA epimerase, MCEE
To be Published
3Q5J
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BU of 3q5j by Molmil
Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K213 in the presence of 17-DMAP-geldanamycin
Descriptor: (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-{[3-(dimethylamino)propyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate, Heat shock protein 83-1
Authors:Wernimont, A.K, Tempel, W, Lin, Y.H, Hutchinson, A, MacKenzie, F, Fairlamb, A, Cossar, D, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2010-12-28
Release date:2011-02-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K213 in the presence of 17-DMAP-geldanamycin.
To be Published
3QWE
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BU of 3qwe by Molmil
Crystal structure of the N-terminal domain of the GEM interacting protein
Descriptor: GEM-interacting protein, UNKNOWN ATOM OR ION
Authors:Guan, X, Tempel, W, Tong, Y, Shen, L, Wang, H, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2011-02-28
Release date:2011-03-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the N-terminal domain of the GEM interacting protein
to be published
3SM9
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BU of 3sm9 by Molmil
Crystal Structure of Metabotropic glutamate receptor 3 precursor in presence of LY341495 antagonist
Descriptor: 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, CHLORIDE ION, Metabotropic glutamate receptor 3, ...
Authors:Wernimont, A.K, Dong, A, Seitova, A, Crombet, L, Khutoreskaya, G, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Cossar, D, Dobrovetsky, E, Structural Genomics Consortium (SGC)
Deposit date:2011-06-27
Release date:2011-07-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal Structure of Metabotropic glutamate receptor 3 precursor in presence of LY341495 antagonist
TO BE PUBLISHED
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
3S4Y
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BU of 3s4y by Molmil
Crystal structure of human thiamin pyrophosphokinase 1
Descriptor: CALCIUM ION, SULFATE ION, THIAMINE DIPHOSPHATE, ...
Authors:Shen, L, Tempel, W, Tong, Y, Li, Y, Walker, J.R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2011-05-20
Release date:2011-06-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human thiamin pyrophosphokinase 1
to be published

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