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4URA
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BU of 4ura by Molmil
Crystal structure of human JMJD2A in complex with compound 14a
Descriptor: 1,2-ETHANEDIOL, 2-(2H-1,2,3-triazol-4-yl)pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, ...
Authors:Krojer, T, England, K.S, Vollmar, M, Crawley, L, Williams, E, Riesebos, E, Szykowska, A, Burgess-Brown, N, Oppermann, U, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2014-06-27
Release date:2015-06-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11) inhibitor.
Medchemcomm, 5, 2014
4FDH
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BU of 4fdh by Molmil
Structure of human aldosterone synthase, CYP11B2, in complex with fadrozole
Descriptor: 4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile, Cytochrome P450 11B2, mitochondrial, ...
Authors:Strushkevich, N, Shen, L, Tempel, W, Arrowsmith, C, Edwards, A, Usanov, S.A, Park, H.-W.
Deposit date:2012-05-28
Release date:2013-01-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural insights into aldosterone synthase substrate specificity and targeted inhibition.
Mol.Endocrinol., 27, 2013
2AYJ
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BU of 2ayj by Molmil
Solution structure of 50S ribosomal protein L40e from Sulfolobus solfataricus
Descriptor: 50S ribosomal protein L40e, ZINC ION
Authors:Wu, B, Yee, A, Lukin, J, Lemak, A, Semesi, A, Ramelot, T, Kennedy, M, Edward, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
Deposit date:2005-09-07
Release date:2006-08-22
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of ribosomal protein L40E, a unique C4 zinc finger protein encoded by archaeon Sulfolobus solfataricus
Protein Sci., 17, 2008
1JMC
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BU of 1jmc by Molmil
SINGLE STRANDED DNA-BINDING DOMAIN OF HUMAN REPLICATION PROTEIN A BOUND TO SINGLE STRANDED DNA, RPA70 SUBUNIT, RESIDUES 183-420
Descriptor: DNA (5'-D(*CP*CP*CP*CP*CP*CP*CP*C)-3'), PROTEIN (REPLICATION PROTEIN A (RPA))
Authors:Bochkarev, A, Pfuetzner, R, Edwards, A, Frappier, L.
Deposit date:1996-11-11
Release date:1997-10-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the single-stranded-DNA-binding domain of replication protein A bound to DNA.
Nature, 385, 1997
1PVM
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BU of 1pvm by Molmil
Crystal Structure of a Conserved CBS Domain Protein TA0289 of Unknown Function from Thermoplasma acidophilum
Descriptor: MERCURY (II) ION, conserved hypothetical protein Ta0289
Authors:Zhang, R, Joachimiak, A, Edwards, A, Savchenko, A, Xu, L, Midwest Center for Structural Genomics (MCSG)
Deposit date:2003-06-27
Release date:2004-01-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Biochemical and structural characterization of a novel family of cystathionine beta-synthase domain proteins fused to a Zn ribbon-like domain
J.Mol.Biol., 375, 2008
1M33
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BU of 1m33 by Molmil
Crystal Structure of BioH at 1.7 A
Descriptor: 1,2-ETHANEDIOL, 3-HYDROXY-PROPANOIC ACID, BioH protein
Authors:Sanishvili, R, Savchenko, A, Skarina, T, Edwards, A, Joachimiak, A, Yakunin, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2002-06-26
Release date:2003-01-21
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Integrating structure, bioinformatics, and enzymology to discover function: BioH, a new carboxylesterase from Escherichia coli.
J.Biol.Chem., 278, 2003
2G62
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BU of 2g62 by Molmil
Crystal structure of human PTPA
Descriptor: GLYCEROL, SULFATE ION, protein phosphatase 2A, ...
Authors:Magnusdottir, A, Stenmark, P, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Hogbom, M, Holmberg Schiavone, L, Kotenyova, T, Nilsson-Ehle, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Wallden, K, Weigelt, J, Nordlund, P.
Deposit date:2006-02-24
Release date:2006-04-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The crystal structure of a human PP2A phosphatase activator reveals a novel fold and highly conserved cleft implicated in protein-protein interactions.
J.Biol.Chem., 281, 2006
1VHI
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BU of 1vhi by Molmil
EPSTEIN BARR VIRUS NUCLEAR ANTIGEN-1 DNA-BINDING DOMAIN, RESIDUES 470-607
Descriptor: EPSTEIN BARR VIRUS NUCLEAR ANTIGEN-1
Authors:Bochkarev, A, Barwell, J, Pfuetzner, R, Furey, W, Edwards, A, Frappier, L.
Deposit date:1996-10-05
Release date:1996-12-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the DNA-binding domain of the Epstein-Barr virus origin-binding protein EBNA 1.
Cell(Cambridge,Mass.), 83, 1995
4UF0
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BU of 4uf0 by Molmil
Crystal structure of JmjC domain of human histone demethylase UTY in complex with epitherapuetic compound 2-(((2-((2-(dimethylamino)ethyl) (ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinic acid.
Descriptor: 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, FE (II) ION, ...
Authors:Srikannathasan, V, Johansson, C, Gileadi, C, Tobias, K, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
Deposit date:2014-12-22
Release date:2015-01-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
1KR4
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BU of 1kr4 by Molmil
Structure Genomics, Protein TM1056, cutA
Descriptor: Protein TM1056, cutA
Authors:Savchenko, A, Zhang, R, Joachimiak, A, Edwards, A, Akarina, T, Midwest Center for Structural Genomics (MCSG)
Deposit date:2002-01-08
Release date:2002-08-14
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-ray crystal structure of CutA from Thermotoga maritima at 1.4 A resolution.
Proteins, 54, 2004
2XIJ
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BU of 2xij by Molmil
Crystal structure of human methylmalonyl-CoA mutase in complex with adenosylcobalamin
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-DEOXYADENOSINE, ...
Authors:Yue, W.W, Froese, D.S, Kochan, G, Chaikuad, A, Krojer, T, Muniz, J, Vollmar, M, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2010-06-30
Release date:2010-09-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of the Human Gtpase Mmaa and Vitamin B12-Dependent Methylmalonyl-Coa Mutase and Insight Into Their Complex Formation.
J.Biol.Chem., 285, 2010
2XYN
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BU of 2xyn by Molmil
HUMAN ABL2 IN COMPLEX WITH AURORA KINASE INHIBITOR VX-680
Descriptor: CHLORIDE ION, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, SODIUM ION, ...
Authors:Salah, E, Ugochukwu, E, Elkins, J.M, Barr, A.J, Shrestha, B, Savitsky, P, Mahajan, P, Muniz, J.R.C, Yue, W.W, Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2010-11-18
Release date:2010-12-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Crystal Structures of Abl-Related Gene (Abl2) in Complex with Imatinib, Tozasertib (Vx-680), and a Type I Inhibitor of the Triazole Carbothioamide Class.
J.Med.Chem., 54, 2011
4U7D
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BU of 4u7d by Molmil
Structure of human RECQ-like helicase in complex with an oligonucleotide
Descriptor: ATP-dependent DNA helicase Q1, DNA oligonucleotide, ZINC ION
Authors:Pike, A.C.W, Zhang, Y, Schnecke, C, Cooper, C.D.O, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2014-07-30
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Human RECQ1 helicase-driven DNA unwinding, annealing, and branch migration: Insights from DNA complex structures.
Proc.Natl.Acad.Sci.USA, 112, 2015
4AW6
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BU of 4aw6 by Molmil
Crystal structure of the human nuclear membrane zinc metalloprotease ZMPSTE24 (FACE1)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CAAX PRENYL PROTEASE 1 HOMOLOG, ZINC ION
Authors:Pike, A.C.W, Dong, Y.Y, Quigley, A, Dong, L, Cooper, C.D.O, Chaikuad, A, Goubin, S, Shrestha, L, Li, Q, Mukhopadhyay, S, Yang, J, Xia, X, Shintre, C.A, Barr, A.J, Berridge, G, Chalk, R, Bray, J.E, von Delft, F, Bullock, A, Bountra, C, Arrowsmith, C.H, Edwards, A, Burgess-Brown, N, Carpenter, E.P.
Deposit date:2012-05-31
Release date:2012-07-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The Structural Basis of Zmpste24-Dependent Laminopathies.
Science, 339, 2013
3HE1
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BU of 3he1 by Molmil
Secreted protein Hcp3 from Pseudomonas aeruginosa.
Descriptor: GLYCEROL, Major exported Hcp3 protein
Authors:Osipiuk, J, Xu, X, Cui, H, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-05-07
Release date:2009-06-16
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:Crystal structure of secretory protein Hcp3 from Pseudomonas aeruginosa.
J.Struct.Funct.Genom., 12, 2011
3RJW
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BU of 3rjw by Molmil
Crystal structure of histone lysine methyltransferase g9a with an inhibitor
Descriptor: 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Dong, A, Wasney, G.A, Tempel, W, Liu, F, Barsyte, D, Allali-Hassani, A, Chen, X, Chau, I, Hajian, T, Senisterra, G, Chavda, N, Arora, K, Siarheyeva, A, Kireev, D.B, Herold, J.M, Bochkarev, A, Bountra, C, Weigelt, J, Edwards, A.M, Frye, S.V, Arrowsmith, C.H, Brown, P.J, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC)
Deposit date:2011-04-15
Release date:2011-05-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:A chemical probe selectively inhibits G9a and GLP methyltransferase activity in cells.
Nat.Chem.Biol., 7, 2011
1NIG
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BU of 1nig by Molmil
2.0 A Structure of Protein of Unknown Function from Thermoplasma acidophilum
Descriptor: hypothetical protein TA1238
Authors:Sanishvili, R, Edwards, A, Christendat, D, Midwest Center for Structural Genomics (MCSG)
Deposit date:2002-12-23
Release date:2003-07-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the hypothetical protein TA1238 from Thermoplasma acidophilum: a new type of helical super-bundle.
J.STRUCT.FUNCT.GENOM., 5, 2004
4DIQ
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BU of 4diq by Molmil
Crystal Structure of human NO66
Descriptor: Lysine-specific demethylase NO66, NICKEL (II) ION, PYRIDINE-2,4-DICARBOXYLIC ACID, ...
Authors:Vollmar, M, Krojer, T, Ng, S, Pilka, E, Bray, J, Pike, A.C.W, Filippakopoulos, P, Roos, A, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2012-01-31
Release date:2012-03-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of human NO66
TO BE PUBLISHED
7ZEJ
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BU of 7zej by Molmil
Crystal structure of the human MGC45594 gene product in complex with celecoxib.
Descriptor: 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin reductase 3
Authors:Shafqat, N, Yue, W.W, Koekemoer, L, Niesen, F, Ugochukwu, E, Vollmar, M, Weigelt, J, Krojer, T, Pike, A, Chaikaud, A, Von Delft, F, Arrowsmith, C, Bountra, C, Edwards, A, Opperman, U, Structural Genomics Consortium (SGC)
Deposit date:2022-03-31
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Human prostaglandin/alkenal reductases: substrate specificities, inhibitor profiles, structural insights and subcellular localization suggest protective roles in inflammatory and oxidative stress conditions.
To Be Published
2GFO
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BU of 2gfo by Molmil
Structure of the Catalytic Domain of Human Ubiquitin Carboxyl-terminal Hydrolase 8
Descriptor: Ubiquitin carboxyl-terminal hydrolase 8, ZINC ION
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Finerty Jr, P.J, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2006-03-22
Release date:2006-04-04
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Amino-terminal Dimerization, NRDP1-Rhodanese Interaction, and Inhibited Catalytic Domain Conformation of the Ubiquitin-specific Protease 8 (USP8).
J.Biol.Chem., 281, 2006
2G3Y
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BU of 2g3y by Molmil
Crystal structure of the human small GTPase GEM
Descriptor: GTP-binding protein GEM, GUANOSINE-5'-DIPHOSPHATE
Authors:Ugochukwu, E, Soundararajan, M, Elkins, J, Gileadi, C, Schoch, G, Sobott, F, Fedorov, O, Bray, J, Pantic, N, Berridge, G, Burgess, N, Lee, W.H, Turnbull, A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2006-02-21
Release date:2006-04-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the human small GTPase GEM
To be Published
2G9N
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BU of 2g9n by Molmil
Structure of the DEAD domain of Human eukaryotic initiation factor 4A, eIF4A
Descriptor: Eukaryotic initiation factor 4A-I
Authors:Hogbom, M, Ogg, D, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Uppenberg, J, Van Den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
Deposit date:2006-03-07
Release date:2006-03-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Comparative Structural Analysis of Human DEAD-Box RNA Helicases.
Plos One, 5, 2010
2FZP
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BU of 2fzp by Molmil
Crystal structure of the USP8 interaction domain of human NRDP1
Descriptor: ring finger protein 41 isoform 1
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2006-02-10
Release date:2006-03-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Amino-terminal Dimerization, NRDP1-Rhodanese Interaction, and Inhibited Catalytic Domain Conformation of the Ubiquitin-specific Protease 8 (USP8).
J.Biol.Chem., 281, 2006
3RNJ
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BU of 3rnj by Molmil
Crystal structure of the SH3 domain from IRSp53 (BAIAP2)
Descriptor: 1,2-ETHANEDIOL, Brain-specific angiogenesis inhibitor 1-associated protein 2, ISOPROPYL ALCOHOL, ...
Authors:Simister, P.C, Barilari, M, Muniz, J.R.C, Dente, L, Knapp, S, von Delft, F, Filippakopoulos, P, Vollmar, M, Chaikuad, A, Raynor, J, Tregubova, A, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Feller, S.M, Structural Genomics Consortium (SGC)
Deposit date:2011-04-22
Release date:2011-05-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the SH3 domain from IRSp53 (BAIAP2)
To be Published
5L78
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BU of 5l78 by Molmil
Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in NAD+ bound form)
Descriptor: 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde synthase, mitochondrial, ...
Authors:Kopec, J, Pena, I.A, Rembeza, E, Strain-Damerell, C, Chalk, R, Borkowska, O, Goubin, S, Velupillai, S, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Arruda, P, Yue, W.W.
Deposit date:2016-06-02
Release date:2017-05-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in NAD+ bound form)
To Be Published

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