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2I3Y
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BU of 2i3y by Molmil
Crystal structure of human glutathione peroxidase 5
Descriptor: 1,2-ETHANEDIOL, Epididymal secretory glutathione peroxidase
Authors:Kavanagh, K.L, Johansson, C, Rojkova, A, Umeano, C, Bunkoczi, G, Gileadi, O, von Delft, F, Weigelt, J, Arrowsmith, C, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2006-08-21
Release date:2006-09-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of human glutathione peroxidase 5
To be published
2I7Q
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BU of 2i7q by Molmil
Crystal structure of Human Choline Kinase A
Descriptor: CHLORIDE ION, Choline kinase alpha, UNKNOWN ATOM OR ION
Authors:Rabeh, W.M, Tempel, W, Nedyalkova, L, Wasney, G, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-08-31
Release date:2006-09-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Human Choline Kinase A
To be Published
4MEO
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BU of 4meo by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 2-methyl-quinoline ligand
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ...
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, Vidler, L.R, Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hoelder, S, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-08-27
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
2JRZ
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BU of 2jrz by Molmil
Solution structure of the Bright/ARID domain from the human JARID1C protein.
Descriptor: Histone demethylase JARID1C
Authors:Koehler, C, Bishop, S, Dowler, E.F, Diehl, A, Schmieder, P, Leidert, M, Sundstrom, M, Arrowsmith, C.H, Wiegelt, J, Edwards, A, Oschkinat, H, Ball, L.J, Structural Genomics Consortium (SGC)
Deposit date:2007-06-29
Release date:2007-07-10
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Backbone and sidechain 1H, 13C and 15N resonance assignments of the Bright/ARID domain from the human JARID1C (SMCX) protein.
Biomol.Nmr Assign., 2, 2008
2HE2
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BU of 2he2 by Molmil
Crystal structure of the 3rd PDZ domain of human discs large homologue 2, DLG2
Descriptor: Discs large homolog 2
Authors:Turnbull, A.P, Phillips, C, Berridge, G, Savitsky, P, Smee, C.E.A, Papagrigoriou, E, Debreczeni, J, Gorrec, F, Elkins, J.M, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2006-06-21
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions.
Protein Sci., 16, 2007
2H16
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BU of 2h16 by Molmil
Structure of human ADP-ribosylation factor-like 5 (ARL5)
Descriptor: ADP-ribosylation factor-like protein 5A, GUANOSINE-5'-DIPHOSPHATE, UNKNOWN ATOM OR ION
Authors:Rabeh, W.M, Tempel, W, Yaniw, D, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-05-16
Release date:2006-06-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of human ADP-ribosylation factor-like 5 (ARL5)
To be Published
4MEP
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BU of 4mep by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 3-chloro-pyridone ligand
Descriptor: 3-chloro-5-[1-(3-methylpyridin-2-yl)-3-phenyl-1H-1,2,4-triazol-5-yl]pyridin-2(1H)-one, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, Vidler, L.R, Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hoelder, S, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-08-27
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
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
2GWF
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BU of 2gwf by Molmil
Structure of a USP8-NRDP1 complex
Descriptor: RING finger protein 41, Ubiquitin carboxyl-terminal hydrolase 8
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.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2006-05-04
Release date:2006-06-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 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
2H5G
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BU of 2h5g by Molmil
Crystal structure of human pyrroline-5-carboxylate synthetase
Descriptor: Delta 1-pyrroline-5-carboxylate synthetase, SULFATE ION
Authors:Papagrigoriou, E, Shafqat, N, Turnbull, A.P, Berridge, G, Hozjan, V, Kavanagh, K, Gileadi, O, Smee, C, Bray, J, Gorrec, F, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2006-05-26
Release date:2006-06-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of human pyrroline-5-carboxylate synthetase
To be published
2H63
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BU of 2h63 by Molmil
Crystal Structure of Human Biliverdin Reductase A
Descriptor: Biliverdin reductase A, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Kavanagh, K, Elkins, J, Ugochukwu, E, Guo, K, Pilka, E, Lukacik, P, Smee, C, Papagrigoriou, E, Bunkoczi, G, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2006-05-30
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Human Biliverdin Reductase A
To be Published
2GRY
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BU of 2gry by Molmil
Crystal structure of the human KIF2 motor domain in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF2, MAGNESIUM ION, ...
Authors:Wang, J, Shen, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-04-25
Release date:2006-05-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of the human KIF2 motor domain in complex with ADP
to be published
2JP2
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BU of 2jp2 by Molmil
Solution structure and resonance assignment of the N-terminal EVH1 domain from the human Spred2 protein (Sprouty-related protein with EVH1 domain isoform 2)
Descriptor: Sprouty-related, EVH1 domain-containing protein 2
Authors:Fossi, M, Zimmermann, J, Jarchau, T, Lemak, A, Walter, U, Wiegelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Oschkinat, H, Ball, L.J, Structural Genomics Consortium (SGC)
Deposit date:2007-04-18
Release date:2007-05-15
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:1H, 13C and 15N resonance assignment of the human Spred2 EVH1 domain
J.Biomol.NMR, 29, 2004
4E71
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BU of 4e71 by Molmil
Crystal structure of the RHO GTPASE binding domain of Plexin B2
Descriptor: Plexin-B2, SODIUM ION
Authors:Guan, X, Wang, H, Tempel, W, Tong, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2012-03-16
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structure of the RHO GTPASE binding domain of Plexin B2
to be published
3KUL
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BU of 3kul by Molmil
Kinase domain of human ephrin type-A receptor 8 (EPHA8)
Descriptor: BETA-MERCAPTOETHANOL, Ephrin type-A receptor 8, GLYCEROL, ...
Authors:Walker, J.R, Yermekbayeva, L, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2009-11-27
Release date:2009-12-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Kinase Domain of Human Ephrin Type-A Receptor 8 (Epha8)
To be Published
3SMJ
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BU of 3smj by Molmil
Human poly(ADP-ribose) polymerase 14 (Parp14/Artd8) - catalytic domain in complex with a pyrimidine-like inhibitor
Descriptor: 2-methyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, GLYCEROL, Poly [ADP-ribose] polymerase 14
Authors:Karlberg, T, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Ekblad, T, Graslund, S, Kouznetsova, E, Nordlund, P, Nyman, T, Thorsell, A.G, Tresaugues, L, Weigelt, J, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2011-06-28
Release date:2011-07-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors.
Nat.Biotechnol., 30, 2012
1WZZ
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BU of 1wzz by Molmil
Structure of endo-beta-1,4-glucanase CMCax from Acetobacter xylinum
Descriptor: Probable endoglucanase, SULFATE ION
Authors:Yasutake, Y, Kawano, S, Tajima, K, Yao, M, Satoh, Y, Munekata, M, Tanaka, I, Structural Genomics Consortium (SGC)
Deposit date:2005-03-10
Release date:2006-03-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural characterization of the Acetobacter xylinum endo-beta-1,4-glucanase CMCax required for cellulose biosynthesis.
Proteins, 64, 2006
2IBI
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BU of 2ibi by Molmil
Covalent Ubiquitin-USP2 Complex
Descriptor: ETHANAMINE, Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 2, ...
Authors:Walker, J.R, Avvakumov, G.V, Bernstein, G, Xue, S, Finerty Jr, P.J, MacKenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2006-09-11
Release date:2006-10-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Covalent Ubiquitin-USP2 Complex
To be Published
3IU6
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BU of 3iu6 by Molmil
Crystal structure of the sixth bromodomain of human poly-bromodomain containing protein 1 (PB1)
Descriptor: 1,2-ETHANEDIOL, Protein polybromo-1, ZINC ION
Authors:Filippakopoulos, P, Keates, T, Picaud, S, Pike, A.C.W, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-08-30
Release date:2009-09-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3IU5
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BU of 3iu5 by Molmil
Crystal structure of the first bromodomain of human poly-bromodomain containing protein 1 (PB1)
Descriptor: Protein polybromo-1
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:2009-08-30
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
4IR4
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BU of 4ir4 by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with 1-[7-(morpholin-4-yl)-1-(pyridin-2-yl)indolizin-3-yl]ethanone (GSK2834113A)
Descriptor: 1,2-ETHANEDIOL, 1-[7-(morpholin-4-yl)-1-(pyridin-2-yl)indolizin-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-01-14
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
J.Med.Chem., 59, 2016
4IR5
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BU of 4ir5 by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with 1-{1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone (GSK2847449A)
Descriptor: 1,2-ETHANEDIOL, 1-{1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-01-14
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
J.Med.Chem., 59, 2016
4IR3
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BU of 4ir3 by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with 1-[7-amino-1-(pyrimidin-2-yl)indolizin-3-yl]ethanone (GSK2833282A)
Descriptor: 1,2-ETHANEDIOL, 1-[7-amino-1-(pyrimidin-2-yl)indolizin-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2B, ...
Authors:Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-01-14
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
J.Med.Chem., 59, 2016
4IR6
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BU of 4ir6 by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with 1-{1-[2-(METHYLSULFONYL)PHENYL]-7-PHENOXYINDOLIZIN-3-YL}ETHANONE (GSK2838097A)
Descriptor: 1,2-ETHANEDIOL, 1-{1-[2-(methylsulfonyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-01-14
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
J.Med.Chem., 59, 2016
4FMU
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BU of 4fmu by Molmil
Crystal structure of Methyltransferase domain of human SET domain-containing protein 2 Compound: Pr-SNF
Descriptor: (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid, Histone-lysine N-methyltransferase SETD2, UNKNOWN ATOM OR ION, ...
Authors:Dong, A, Zeng, H, Ibanez, G, Zheng, W, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2012-06-18
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Sinefungin Derivatives as Inhibitors and Structure Probes of Protein Lysine Methyltransferase SETD2.
J.Am.Chem.Soc., 134, 2012

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数据于2024-10-30公开中

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