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2B3G
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BU of 2b3g by Molmil
p53N (fragment 33-60) bound to RPA70N
Descriptor: Cellular tumor antigen p53, Replication protein A 70 kDa DNA-binding subunit
Authors:Bochkareva, E, Kaustov, L, Ayed, A, Yi, G.S, Lu, Y, Pineda-Lucena, A, Liao, J.C, Okorokov, A.L, Milner, J, Arrowsmith, C.H, Bochkarev, A.
Deposit date:2005-09-20
Release date:2005-10-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Single-stranded DNA mimicry in the p53 transactivation domain interaction with replication protein A.
Proc.Natl.Acad.Sci.Usa, 102, 2005
3MA6
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BU of 3ma6 by Molmil
Crystal structure of kinase domain of TgCDPK1 in presence of 3BrB-PP1
Descriptor: 3-(3-bromobenzyl)-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Wernimont, A.K, Qiu, W, Amani, M, Artz, J.D, Hassani, A.A, Senisterra, G, Vedadi, M, Sibley, L.D, Lourido, S, Shokat, K, Zhang, C, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC)
Deposit date:2010-03-23
Release date:2010-07-21
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of kinase domain of TgCDPK1 in presence of 3BrB-PP1
To be Published
4Z9M
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BU of 4z9m by Molmil
Crystal structure of human sarcomeric mitochondrial creatine kinase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Creatine kinase S-type, mitochondrial, ...
Authors:Rabeh, W.M, Tempel, W, Nedyalkova, L, Landry, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2015-04-10
Release date:2015-04-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of human sarcomeric mitochondrial creatine kinase
To Be Published
3MQM
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BU of 3mqm by Molmil
Crystal Structure of the Bromodomain of human ASH1L
Descriptor: Probable histone-lysine N-methyltransferase ASH1L
Authors:Filippakopoulos, P, Picaud, S, Keates, T, Felletar, I, Vollmar, M, Chaikuad, A, Krojer, T, Canning, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2010-04-28
Release date:2010-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
4YY8
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BU of 4yy8 by Molmil
Crystal Structure Analysis of Kelch protein from Plasmodium falciparum
Descriptor: GLYCEROL, Kelch protein, UNKNOWN ATOM OR ION
Authors:Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, He, H, Ravichandran, M, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, El Bakkouri, M, Senisterra, G, Osman, K.T, Lovato, D.V, Hui, R, Hutchinson, A, Lin, Y.H, Structural Genomics Consortium (SGC)
Deposit date:2015-03-23
Release date:2015-04-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal Structure Analysis of Kelch protein from Plasmodium falciparum.
to be published
4FL6
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BU of 4fl6 by Molmil
Crystal structure of the complex of the 3-MBT repeat domain of L3MBTL3 and UNC1215
Descriptor: Lethal(3)malignant brain tumor-like protein 3, UNKNOWN ATOM OR ION, [2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone}
Authors:Zhong, N, Tempel, W, Ravichandran, M, Dong, A, Ingerman, L.A, Graslund, S, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2012-06-14
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of a chemical probe for the L3MBTL3 methyllysine reader domain.
Nat. Chem. Biol., 9, 2013
3MB3
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BU of 3mb3 by Molmil
Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP)
Descriptor: 1-methylpyrrolidin-2-one, PH-interacting protein
Authors:Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2010-03-25
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3MES
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BU of 3mes by Molmil
Crystal structure of choline kinase from Cryptosporidium parvum Iowa II, cgd3_2030
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Choline kinase, DECAMETHONIUM ION, ...
Authors:Qiu, W, Wernimont, A, Hills, T, Lew, J, Artz, J.D, Xiao, T, Allali-Hassani, A, Vedadi, M, Kozieradzki, I, Cossar, D, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Hui, R, Ma, D, Structural Genomics Consortium (SGC)
Deposit date:2010-03-31
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of choline kinase from Cryptosporidium parvum Iowa II, cgd3_2030
TO BE PUBLISHED
2AKL
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BU of 2akl by Molmil
Solution structure for phn-A like protein PA0128 from Pseudomonas aeruginosa
Descriptor: ZINC ION, phnA-like protein pa0128
Authors:Srisailam, S, Yee, A, Lemak, A, Lukin, J.A, Bansal, S, Prestegard, J.H, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP)
Deposit date:2005-08-03
Release date:2006-07-18
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Sequence Specific Resonance Assignment of a Hypothetical Protein PA0128 from Pseudomonas Aeruginosa
J.Biomol.Nmr, 36, 2006
4FO9
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BU of 4fo9 by Molmil
Crystal structure of the E3 SUMO Ligase PIAS2
Descriptor: E3 SUMO-protein ligase PIAS2, UNKNOWN ATOM OR ION, ZINC ION
Authors:Dong, A, Hu, J, Dobrovetsky, E, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2012-06-20
Release date:2012-07-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Crystal structure of the E3 SUMO Ligase PIAS2
to be published
3MPX
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BU of 3mpx by Molmil
Crystal structure of the DH and PH-1 domains of human FGD5
Descriptor: FYVE, RhoGEF and PH domain-containing protein 5, UNKNOWN ATOM OR ION
Authors:Shen, Y, Nedyalkova, L, Tong, Y, Tempel, W, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2010-04-27
Release date:2010-06-23
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the DH and PH-1 domains of human FGD5
TO BE PUBLISHED
4HBD
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BU of 4hbd by Molmil
Crystal structure of KANK2 ankyrin repeats
Descriptor: KN motif and ankyrin repeat domain-containing protein 2, UNKNOWN ATOM OR ION
Authors:Xu, C, Tempel, W, Cerovina, T, El Bakkouri, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2012-09-27
Release date:2012-12-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal structure of KANK2 ankyrin repeats
To be Published
3O4Y
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BU of 3o4y by Molmil
Crystal structure of CAD domain of the Plasmodium Vivax CDPK, PVX_11610
Descriptor: CALCIUM ION, Calcium-dependent protein kinase 3, GLYCEROL, ...
Authors:Wernimont, A.K, Hutchinson, A, Sullivan, H, Weadge, J, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2010-07-27
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of CAD domain of the Plasmodium Vivax CDPK, PVX_11610
TO BE PUBLISHED
2B4Y
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BU of 2b4y by Molmil
Crystal Structure of Human Sirtuin homolog 5
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5-DIPHOSPHORIBOSE, NAD-dependent deacetylase sirtuin-5, ...
Authors:Min, J.R, Antoshenko, T, Dong, A, Schuetz, A, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2005-09-27
Release date:2006-02-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Human Sirtuin homolog 5 in complex with NAD
To be Published
3NR9
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BU of 3nr9 by Molmil
Structure of human CDC2-like kinase 2 (CLK2)
Descriptor: (5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Dual specificity protein kinase CLK2
Authors:Chaikuad, A, Savitsky, P, Krojer, T, Muniz, J.R.C, Filippakopoulos, P, Rellos, P, Keates, T, Fedorov, O, Pike, A.C.W, Eswaran, J, Berridge, G, Phillips, C, Zhang, Y, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2010-06-30
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure of human CDC2-like kinase 2 (CLK2)
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
5A1L
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BU of 5a1l by Molmil
Crystal structure of JmjC domain of human histone demethylase UTY with S21056a
Descriptor: 1,2-ETHANEDIOL, 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propan-1-ol, FE (II) ION, ...
Authors:Srikannathasan, V, Gileadi, C, Johansson, C, Krojer, T, Tumber, A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Oppermann, U.
Deposit date:2015-05-01
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Jmjc Domain of Human Histone Demethylase Uty with S21056A
To be Published
4HAE
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BU of 4hae by Molmil
Crystal structure of the CDYL2-chromodomain
Descriptor: Chromodomain Y-like protein 2, SULFATE ION, UNKNOWN ATOM OR ION
Authors:Qin, S, Dombrovski, L, Tempel, W, Dong, A, Xu, C, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2012-09-26
Release date:2012-10-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the CDYL2-chromodomain
To be Published
4HFG
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BU of 4hfg by Molmil
CID of human RPRD1B
Descriptor: Regulation of nuclear pre-mRNA domain-containing protein 1B, SULFATE ION, UNKNOWN ATOM OR ION
Authors:Ni, Z, Xu, C, Tempel, W, El Bakkouri, M, Loppnau, P, Guo, X, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Greenblatt, J.F, Structural Genomics Consortium (SGC)
Deposit date:2012-10-05
Release date:2012-10-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:CID of human RPRD1B
TO BE PUBLISHED
2B29
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BU of 2b29 by Molmil
N-terminal domain of the RPA70 subunit of human replication protein A.
Descriptor: Replication protein A 70 kDa DNA-binding subunit
Authors:Bochkareva, E, Kaustov, L, Ayed, A, Okorokov, A, Milner, J, Arrowsmith, C.H, Bochkarev, A.
Deposit date:2005-09-18
Release date:2005-10-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Single-stranded DNA mimicry in the p53 transactivation domain interaction with replication protein A.
Proc.Natl.Acad.Sci.Usa, 102, 2005
2F2S
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BU of 2f2s by Molmil
Human mitochondrial acetoacetyl-CoA thiolase
Descriptor: Acetyl-CoA acetyltransferase, mitochondrial, CHLORIDE ION, ...
Authors:Min, J.R, Dombrovski, L, Antoshenko, T, Wu, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2005-11-17
Release date:2005-11-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of Human Mitochondrial Acetoacetyl-Coa Thiolase Acat1.
To be Published
2EX4
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BU of 2ex4 by Molmil
Crystal Structure of Human methyltransferase AD-003 in complex with S-adenosyl-L-homocysteine
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, adrenal gland protein AD-003
Authors:Min, J.R, Wu, H, Zeng, H, Loppnau, P, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2005-11-07
Release date:2005-11-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Crystal Structure of Human AD-003 protein in complex with S-adenosyl-L-homocysteine
To be Published
2EW1
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BU of 2ew1 by Molmil
Crystal Structure of Rab30 in complex with a GTP analogue
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-30
Authors:Wang, J, Shen, Y, Ismail, S, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Bochkarev, A, Park, H.W, Structural Genomics Consortium (SGC)
Deposit date:2005-11-01
Release date:2005-11-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of RAB30 in complex with a GTP analogue
To be Published
7TUJ
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BU of 7tuj by Molmil
NMR solution structure of the phosphorylated MUS81-binding region from human SLX4
Descriptor: Structure-specific endonuclease subunit SLX4
Authors:Payliss, B.J, Reichheld, S.E, Lemak, A, Arrowsmith, C.H, Sharpe, S, Wyatt, H.D.M.
Deposit date:2022-02-02
Release date:2022-10-19
Last modified:2022-11-09
Method:SOLUTION NMR
Cite:Phosphorylation of the DNA repair scaffold SLX4 drives folding of the SAP domain and activation of the MUS81-EME1 endonuclease.
Cell Rep, 41, 2022
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

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