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3KFV
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BU of 3kfv by Molmil
Crystal structure of the SH3-kinase fragment of tight junction protein 3 (TJP3) in apo-form
分子名称: Tight junction protein ZO-3, UNKNOWN ATOM OR ION
著者Tong, Y, Nedyalkova, L, Tempel, W, Zhong, N, Guan, X, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2009-10-28
公開日2009-11-03
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the SH3-kinase fragment of tight junction protein 3 (TJP3) in apo-form
to be published
3KUP
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BU of 3kup by Molmil
Crystal Structure of the CBX3 Chromo Shadow Domain
分子名称: Chromobox protein homolog 3, UNKNOWN ATOM OR ION
著者Tempel, W, Li, Z, Li, Y, Kozieradzki, I, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
登録日2009-11-27
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal Structure of the CBX3 Chromo Shadow Domain
to be published
7Z3X
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BU of 7z3x by Molmil
Crystal structure of FIR RRM1-2 Y115F mutant bound to FUSE ssDNA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*T)-3'), DNA (5'-D(P*GP*TP*())-3'), ...
著者Ni, X, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-03-02
公開日2022-11-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of FIR RRM1-2 Y115F mutant bound to FUSE ssDNA
To Be Published
3KUQ
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BU of 3kuq by Molmil
Crystal structure of the DLC1 RhoGAP domain
分子名称: Rho GTPase-activating protein 7, UNKNOWN ATOM OR ION
著者Nedyalkova, L, Tempel, W, Tong, Y, MacKenzie, F, Shen, L, Zhong, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2009-11-27
公開日2010-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the DLC1 RhoGAP domain
to be published
3KVW
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BU of 3kvw by Molmil
Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) in complex with an indirubin ligand
分子名称: (2Z,3E)-7'-bromo-3-(hydroxyimino)-2'-oxo-1,1',2',3-tetrahydro-2,3'-biindole-5-carboxylic acid, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Filippakopoulos, P, Myrianthopoulos, V, Kritsanida, M, Magiatis, P, Skaltsounis, A.L, Soundararajan, M, Krojer, T, Gileadi, O, Hapka, E, Fedorov, O, Berridge, G, Wang, J, Shrestha, L, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Mikros, E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2009-11-30
公開日2010-01-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) in complex with an indirubin ligand
To be Published
2REO
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BU of 2reo by Molmil
Crystal structure of human sulfotransferase 1C3 (Sult1C3) in complex with PAP
分子名称: ADENOSINE-3'-5'-DIPHOSPHATE, Putative sulfotransferase 1C3
著者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)
登録日2007-09-26
公開日2007-10-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.651 Å)
主引用文献Crystal structure of human sulfotransferase 1C3 (Sult1C3) in complex with PAP.
To be Published
4RXX
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BU of 4rxx by Molmil
Crystal Structure of the N-terminal Domain of Human Ubiquitin Specific Protease 38
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, UNKNOWN ATOM OR ION, ...
著者Dong, A, Shen, L, Hu, J, Li, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
登録日2014-12-12
公開日2015-01-21
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal Structure of the N-terminal Domain of Human Ubiquitin Specific Protease 38
to be published
3L4H
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BU of 3l4h by Molmil
Helical box domain and second WW domain of the human E3 ubiquitin-protein ligase HECW1
分子名称: ACETIC ACID, E3 ubiquitin-protein ligase HECW1
著者Walker, J.R, Qiu, L, Li, Y, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Botchkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2009-12-20
公開日2010-05-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The tandem helical box and second WW domains of human HECW1
To be Published
3KS9
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BU of 3ks9 by Molmil
Metabotropic glutamate receptor mGluR1 complexed with LY341495 antagonist
分子名称: 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ...
著者Dobrovetsky, E, Khutoreskaya, G, Seitova, A, Cossar, D, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Bochkarev, A, Structural Genomics Consortium (SGC)
登録日2009-11-20
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Metabotropic glutamate receptor mglur1 complexed with LY341495 antagonist
To be Published
4RXJ
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BU of 4rxj by Molmil
crystal structure of WHSC1L1-PWWP2
分子名称: Histone-lysine N-methyltransferase NSD3, UNKNOWN ATOM OR ION
著者Qin, S, Tempel, W, Dong, A, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2014-12-11
公開日2015-01-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Histone and DNA binding ability studies of the NSD subfamily of PWWP domains.
Biochem.Biophys.Res.Commun., 569, 2021
8G43
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BU of 8g43 by Molmil
Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with 3-(3-(2-(methylamino)-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid
分子名称: 3-{3-[2-(methylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid, Histone deacetylase 6, ZINC ION
著者Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2023-02-08
公開日2023-05-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6.
J.Med.Chem., 66, 2023
8G44
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BU of 8g44 by Molmil
Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with 3-(3-(2-(benzylamino)-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid
分子名称: 3-{3-[2-(benzylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid, Histone deacetylase 6, ZINC ION
著者Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2023-02-08
公開日2023-05-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6.
J.Med.Chem., 66, 2023
7B6M
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BU of 7b6m by Molmil
Crystal structure of MurE from E.coli in complex with Z1198948504
分子名称: 1,2-ETHANEDIOL, N-[2-(2,5-Dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6-diaminopimelate ligase
著者Koekemoer, L, Steindel, M, Fairhead, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC), Structural Genomics Consortium for Research on Gene Expression (SGCGES)
登録日2020-12-07
公開日2020-12-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Crystal structure of MurE from E.coli
To Be Published
5KO9
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BU of 5ko9 by Molmil
Crystal Structure of the SRAP Domain of Human HMCES Protein
分子名称: Embryonic stem cell-specific 5-hydroxymethylcytosine-binding protein, UNKNOWN ATOM OR ION
著者Halabelian, L, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2016-06-29
公開日2016-08-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition.
Nat.Struct.Mol.Biol., 26, 2019
6HT1
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BU of 6ht1 by Molmil
Crystal structure of MLLT1 (ENL) YEATS domain in complexed with SGC-iMLLT (compound 92)
分子名称: 1,2-ETHANEDIOL, 1-methyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide, Protein ENL, ...
著者Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-10-02
公開日2018-10-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of an MLLT1/3 YEATS Domain Chemical Probe.
Angew. Chem. Int. Ed. Engl., 57, 2018
8BGC
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BU of 8bgc by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with compound 2 (AA-CS-9-003)
分子名称: 5-[(phenylmethyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION
著者Kraemer, A, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-10-27
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of a Potent and Selective Naphthyridine-Based Chemical Probe for Casein Kinase 2.
Acs Med.Chem.Lett., 14, 2023
6V3N
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BU of 6v3n by Molmil
Crystal structure of CDYL2 in complex with H3K27me3
分子名称: ACE-GLN-LEU-ALA-THR-LYS-ALA-ALA-ARG-M3L-SER-ALA-PRO-ALA-THR-TYR-NH2, Chromodomain Y-like protein 2, UNKNOWN ATOM OR ION
著者Qin, S, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2019-11-26
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Basis for the Binding Selectivity of Human CDY Chromodomains.
Cell Chem Biol, 27, 2020
6V8W
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CDYL2 chromodomain in complex with a synthetic peptide
分子名称: Chromodomain Y-like protein 2, IVA-PHE-ALA-PHE-5T3-SER-NH2, UNKNOWN ATOM OR ION
著者Dong, C, Tempel, W, James, L.I, Lamb, K.N, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2019-12-12
公開日2020-01-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis for the Binding Selectivity of Human CDY Chromodomains.
Cell Chem Biol, 27, 2020
5LB3
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BU of 5lb3 by Molmil
Crystal structure of human RECQL5 helicase in complex with ADP/Mg.
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase Q5, MAGNESIUM ION, ...
著者Newman, J.A, Aitkenhead, H, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
登録日2016-06-15
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Insights into the RecQ helicase mechanism revealed by the structure of the helicase domain of human RECQL5.
Nucleic Acids Res., 45, 2017
5LB8
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Crystal structure of human RECQL5 helicase APO form.
分子名称: ATP-dependent DNA helicase Q5, ZINC ION
著者Newman, J.A, Aitkenhead, H, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
登録日2016-06-15
公開日2016-07-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Insights into the RecQ helicase mechanism revealed by the structure of the helicase domain of human RECQL5.
Nucleic Acids Res., 45, 2017
5LB5
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BU of 5lb5 by Molmil
Crystal structure of human RECQL5 helicase in complex with ADP/Mg (tricilinc form).
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase Q5, DIMETHYL SULFOXIDE, ...
著者Newman, J.A, Aitkenhead, H, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
登録日2016-06-15
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insights into the RecQ helicase mechanism revealed by the structure of the helicase domain of human RECQL5.
Nucleic Acids Res., 45, 2017
8PP0
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BU of 8pp0 by Molmil
Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with JP147
分子名称: 3-[4-[2,3-dihydro-1H-inden-4-yl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]oxypropanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Chaikuad, A, Pollinger, J, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2023-07-05
公開日2024-02-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Guided Design of a Highly Potent Partial RXR Agonist with Superior Physicochemical Properties.
J.Med.Chem., 67, 2024
6V41
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crystal structure of CDY1 chromodomain bound to H3K9me3
分子名称: Histone H3.1 Peptide, Testis-specific chromodomain protein Y 1, UNKNOWN ATOM OR ION
著者Qin, S, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2019-11-27
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.603 Å)
主引用文献Structural Basis for the Binding Selectivity of Human CDY Chromodomains.
Cell Chem Biol, 27, 2020
6QAT
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BU of 6qat by Molmil
Crystal structure of ULK2 in complexed with hesperadin
分子名称: N-{(3Z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1H-indol-5-yl}ethanesulfonamide, Serine/threonine-protein kinase ULK2
著者Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2018-12-19
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2).
Biochem.J., 476, 2019
6QAU
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Crystal structure of ULK2 in complexed with MRT67307
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2018-12-19
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2).
Biochem.J., 476, 2019

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