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2QFZ
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BU of 2qfz by Molmil
Crystal structure of human TBC1 domain family member 22A
Descriptor: TBC1 domain family member 22A, UNKNOWN ATOM OR ION
Authors:Tong, Y, Tempel, W, Dimov, S, Dong, A, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2007-06-28
Release date:2007-07-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of human TBC1 domain family member 22A.
To be Published
6UPT
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BU of 6upt by Molmil
Tudor Domain of Tumor suppressor p53BP1 with MFP-2706
Descriptor: 2-((2-chlorobenzyl)thio)-4,5-dihydro-1H-imidazole, TP53-binding protein 1, UNKNOWN ATOM OR ION
Authors:The, J, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2019-10-18
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Tudor Domain of Tumor suppressor p53BP1 with MFP-2706
to be published
6VA5
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BU of 6va5 by Molmil
Tudor Domain of Tumor suppressor p53BP1 with MFP-4184
Descriptor: 2-(4-methylpiperazin-1-yl)aniline, GLYCEROL, SULFATE ION, ...
Authors:Zeng, H, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2019-12-16
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Tudor Domain of Tumor suppressor p53BP1 with MFP-4184
to be published
2REO
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BU of 2reo by Molmil
Crystal structure of human sulfotransferase 1C3 (Sult1C3) in complex with PAP
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Putative sulfotransferase 1C3
Authors:Tempel, W, Pan, P, Dong, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2007-09-26
Release date:2007-10-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.651 Å)
Cite:Crystal structure of human sulfotransferase 1C3 (Sult1C3) in complex with PAP.
To be Published
3CKL
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BU of 3ckl by Molmil
Crystal structure of human cytosolic sulfotransferase SULT1B1 in complex with PAP and resveratrol
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, RESVERATROL, Sulfotransferase family cytosolic 1B member 1
Authors:Pan, P.W, Tempel, W, Dong, A, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2008-03-16
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of human cytosolic sulfotransferase SULT1B1 in complex with PAP and resveratrol.
To be Published
3DAL
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BU of 3dal by Molmil
Methyltransferase domain of human PR domain-containing protein 1
Descriptor: PR domain zinc finger protein 1
Authors:Amaya, M.F, Zeng, H, Antoshenko, T, Dong, A, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Plotnikov, A.N, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2008-05-29
Release date:2008-08-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The crystal structure of methyltransferase domain of human PR domain-containing protein 1
To be Published
3DAX
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BU of 3dax by Molmil
Crystal structure of human CYP7A1
Descriptor: Cytochrome P450 7A1, PROTOPORPHYRIN IX CONTAINING FE, UNKNOWN ATOM OR ION
Authors:Strushkevich, N.V, Tempel, W, Dombrovski, L, Dong, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2008-05-30
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of human CYP7A1
To be Published
6CBY
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BU of 6cby by Molmil
Crystal structure of human SET and MYND Domain Containing protein 2 with MTF9975
Descriptor: N-lysine methyltransferase SMYD2, ZINC ION, [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone
Authors:ZENG, H, DONG, A, Hutchinson, A, Seitova, A, TATLOCK, J, KUMPF, R, OWEN, A, TAYLOR, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2018-02-05
Release date:2018-03-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Selective, Small-Molecule Co-Factor Binding Site Inhibition of a Su(var)3-9, Enhancer of Zeste, Trithorax Domain Containing Lysine Methyltransferase.
J.Med.Chem., 62, 2019
4XUY
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BU of 4xuy by Molmil
Crystal structure of an endo-beta-1,4-xylanase (glycoside hydrolase family 10/GH10) enzyme from Aspergillus niger
Descriptor: GLYCEROL, Probable endo-1,4-beta-xylanase C, SULFATE ION
Authors:Stogios, P.J, Dong, A, Xu, X, Cui, H, Savchenko, A.
Deposit date:2015-01-26
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.0027 Å)
Cite:Crystal structure of an endo-beta-1,4-xylanase (glycoside hydrolase family 10/GH10) enzyme from Aspergillus niger
To Be Published
2GSF
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BU of 2gsf by Molmil
The Human Epha3 Receptor Tyrosine Kinase and Juxtamembrane Region
Descriptor: Ephrin type-A receptor 3
Authors:Walker, J.R, Davis, T, Dong, A, Newman, E.M, MacKenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2006-04-26
Release date:2006-06-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structure Of The Human Epha3 Receptor Tyrosine Kinase and Juxtamembrane Region
To be Published
6AU2
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BU of 6au2 by Molmil
Crystal structure of SETDB1 Tudor domain with aryl triazole fragments
Descriptor: 1,2-ETHANEDIOL, 1-methyl-4H,6H-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine, BETA-MERCAPTOETHANOL, ...
Authors:MADER, P, Mendoza-Sanchez, R, IQBAL, A, DONG, A, DOBROVETSKY, E, CORLESS, V.B, LIEW, S.K, TEMPEL, W, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D, HOLOWNIA, A, VEDADI, M, BROWN, P.J, SANTHAKUMAR, V, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2017-08-30
Release date:2017-10-11
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Identification and characterization of the first fragment hits for SETDB1 Tudor domain.
Bioorg.Med.Chem., 27, 2019
2H01
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BU of 2h01 by Molmil
PY00414- Plasmodium yoelii thioredoxin peroxidase I
Descriptor: 2-CYS PEROXIREDOXIN
Authors:Artz, J, Qiu, W, Min, J.R, Dong, A, Lew, J, Melone, M, Alam, Z, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC)
Deposit date:2006-05-12
Release date:2006-05-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of PY00414 - a Plasmodium yoelii thioredoxin peroxidase I
To be Published
3OMB
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BU of 3omb by Molmil
Crystal structure of extracellular solute-binding protein from Bifidobacterium longum subsp. infantis
Descriptor: Extracellular solute-binding protein, family 1, MAGNESIUM ION
Authors:Chang, C, Xu, X, Chin, S, Cui, H, Dong, A, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-08-26
Release date:2010-09-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of extracellular solute-binding protein from Bifidobacterium longum subsp. infantis
To be Published
2I81
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BU of 2i81 by Molmil
Crystal Structure of Plasmodium vivax 2-Cys Peroxiredoxin, Reduced
Descriptor: 2-Cys Peroxiredoxin
Authors:Artz, J.D, Qiu, W, Dong, A, Lew, J, Ren, H, Zhao, Y, Kozieradski, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC)
Deposit date:2006-08-31
Release date:2006-09-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of Plasmodium vivax 2-Cys Peroxiredoxin, Reduced
To be published
3SMQ
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BU of 3smq by Molmil
Crystal structure of protein arginine methyltransferase 3
Descriptor: 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea, CHLORIDE ION, Protein arginine N-methyltransferase 3, ...
Authors:Dobrovetsky, E, Dong, A, Walker, J.R, Siarheyeva, A, Senisterra, G, Wasney, G.A, Smil, D, Bolshan, Y, Nguyen, K.T, Allali-Hassani, A, Hajian, T, Poda, G, Bountra, C, Weigelt, J, Edwards, A.M, Al-Awar, R, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Structural Genomics Consortium (SGC)
Deposit date:2011-06-28
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:An allosteric inhibitor of protein arginine methyltransferase 3.
Structure, 20, 2012
6AU3
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BU of 6au3 by Molmil
Crystal structure of SETDB1 Tudor domain with aryl triazole fragments
Descriptor: 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, N-{[2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)phenyl]methyl}acetamide, ...
Authors:MADER, P, Mendoza-Sanchez, R, IQBAL, A, DONG, A, DOBROVETSKY, E, CORLESS, V.B, LIEW, S.K, TEMPEL, W, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D, HOLOWNIA, A, VEDADI, M, BROWN, P.J, SANTHAKUMAR, V, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2017-08-30
Release date:2017-09-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of SETDB1 Tudor domain with aryl triazole fragments
to be published
2B0R
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BU of 2b0r by Molmil
Crystal Structure of Cyclase-Associated Protein from Cryptosporidium parvum
Descriptor: UNKNOWN ATOM OR ION, possible adenyl cyclase-associated protein
Authors:Tempel, W, Dong, A, Zhao, Y, Lew, J, Kozieradzki, I, Alam, Z, Melone, M, Wasney, G, Vedadi, M, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Hui, R, Bochkarev, A, Artz, J, Structural Genomics Consortium (SGC)
Deposit date:2005-09-14
Release date:2005-09-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and function of a G-actin sequestering protein with a vital role in malaria oocyst development inside the mosquito vector
J.Biol.Chem., 151, 2010
2O1O
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BU of 2o1o by Molmil
Cryptosporidium parvum putative polyprenyl pyrophosphate synthase (cgd4_2550) in complex with risedronate.
Descriptor: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, MAGNESIUM ION, Putative farnesyl pyrophosphate synthase
Authors:Chruszcz, M, Artz, J.D, Dong, A, Dunford, J, Lew, J, Zhao, Y, Kozieradski, I, Kavanaugh, K.L, Oppermann, U, Sundstrom, M, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Hui, R, Minor, W, Structural Genomics Consortium (SGC)
Deposit date:2006-11-29
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Targeting a uniquely nonspecific prenyl synthase with bisphosphonates to combat cryptosporidiosis
Chem.Biol., 15, 2008
3OI7
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BU of 3oi7 by Molmil
Structure of the structure of the H13A mutant of Ykr043C in complex with sedoheptulose-1,7-bisphosphate
Descriptor: 1,2-ETHANEDIOL, 1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose, GLYCEROL, ...
Authors:Singer, A.U, Xu, X, Dong, A, Cui, H, Clasquin, M.F, Caudy, A.A, Edwards, A.M, Savchenko, A, Joachimiak, A, Yakunin, A.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-08-18
Release date:2010-11-17
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Riboneogenesis in yeast.
Cell(Cambridge,Mass.), 145, 2011
3N72
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BU of 3n72 by Molmil
Crystal Structure of Aha-1 from plasmodium falciparum, PFC0270w
Descriptor: THIOCYANATE ION, putative activator of HSP90
Authors:Wernimont, A.K, Dong, A, Hutchinson, A, Sullivan, H, Mackenzie, F, Kozieradzki, I, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2010-05-26
Release date:2010-07-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal Structure of Aha-1 from plasmodium falciparum, PFC0270w
To be Published
3NIZ
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BU of 3niz by Molmil
Cryptosporidium parvum cyclin-dependent kinase cgd5_2510 with ADP bound.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rhodanese family protein
Authors:Wernimont, A.K, Dong, A, Lew, J, Lin, Y.H, Hassanali, A, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bochkarev, A, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC)
Deposit date:2010-06-16
Release date:2010-07-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cryptosporidium parvum cyclin-dependent kinase cgd5_2510 with ADP bound.
To be Published
3K35
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BU of 3k35 by Molmil
Crystal Structure of Human SIRT6
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, NAD-dependent deacetylase sirtuin-6, SULFATE ION, ...
Authors:Pan, P.W, Dong, A, Qiu, W, Loppnau, P, Wang, J, Ravichandran, M, Bochkarev, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Min, J, Edwards, A.M, Structural Genomics Consortium (SGC)
Deposit date:2009-10-01
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and biochemical functions of SIRT6.
J.Biol.Chem., 286, 2011
3EFZ
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BU of 3efz by Molmil
Crystal Structure of a 14-3-3 protein from cryptosporidium parvum (cgd1_2980)
Descriptor: 1,2-ETHANEDIOL, 14-3-3 protein
Authors:Wernimont, A.K, Dong, A, Qiu, W, Lew, J, Wasney, G.A, Vedadi, M, Kozieradzki, I, Zhao, Y, Ren, H, Alam, Z, Lin, Y.H, Sundstrom, M, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Hui, R, Brokx, S, Structural Genomics Consortium (SGC)
Deposit date:2008-09-10
Release date:2008-09-23
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Characterization of 14-3-3 proteins from Cryptosporidium parvum.
Plos One, 6, 2011
4H12
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BU of 4h12 by Molmil
The crystal structure of methyltransferase domain of human SET domain-containing protein 2 in complex with S-adenosyl-L-homocysteine
Descriptor: CHLORIDE ION, Histone-lysine N-methyltransferase SETD2, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Amaya, M.F, Dong, A, Zeng, H, Mackenzie, F, Bunnage, M, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2012-09-10
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Sinefungin Derivatives as Inhibitors and Structure Probes of Protein Lysine Methyltransferase SETD2.
J.Am.Chem.Soc., 134, 2012
7UFV
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BU of 7ufv by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766
Descriptor: (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN ATOM OR ION
Authors:Kimani, S, Li, A, Li, Y, Dong, A, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2022-03-23
Release date:2022-05-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Nanomolar DCAF1 Small Molecule Ligands.
J.Med.Chem., 66, 2023

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