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5TH7
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BU of 5th7 by Molmil
Complex of SETD8 with MS453
分子名称: 1,2-ETHANEDIOL, N-(3-{[6,7-dimethoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)propanamide, N-lysine methyltransferase KMT5A, ...
著者Yu, W, Tempel, W, Babault, N, Ma, A, Butler, K.V, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2016-09-29
公開日2016-11-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase.
J. Med. Chem., 59, 2016
5TTF
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BU of 5ttf by Molmil
Crystal structure of catalytic domain of G9a with MS012
分子名称: CHLORIDE ION, Histone-lysine N-methyltransferase EHMT2, N4-(1-methylpiperidin-4-yl)-N2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine, ...
著者DONG, A, ZENG, H, LIU, J, XIONG, Y, BABAULT, N, JIN, J, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, WU, H, BROWN, P.J, Structural Genomics Consortium (SGC)
登録日2016-11-03
公開日2016-12-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
5UBA
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BU of 5uba by Molmil
Human RNA Pseudouridylate Synthase Domain Containing 4
分子名称: CALCIUM ION, CHLORIDE ION, RNA pseudouridylate synthase domain-containing protein 4, ...
著者DONG, A, ZENG, H, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2016-12-20
公開日2017-02-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献The Crystal Structure of Human Pseudouridylate Synthase Domain Containing 4. To be published
to be published
4DVQ
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BU of 4dvq by Molmil
Structure of human aldosterone synthase, CYP11B2, in complex with deoxycorticosterone
分子名称: Cytochrome P450 11B2, mitochondrial, DESOXYCORTICOSTERONE, ...
著者Strushkevich, N, Shen, L, Tempel, W, Arrowsmith, C, Edwards, A, Usanov, S.A, Park, H.-W.
登録日2012-02-23
公開日2013-01-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structural insights into aldosterone synthase substrate specificity and targeted inhibition.
Mol.Endocrinol., 27, 2013
5XPI
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BU of 5xpi by Molmil
Structure of UHRF1 TTD in complex with NV01
分子名称: E3 ubiquitin-protein ligase UHRF1, N-[3-(diethylamino)propyl]-2-(12-methyl-9-oxidanylidene-5-thia-1,10,11-triazatricyclo[6.4.0.0^2,6]dodeca-2(6),3,7,11-tetraen-10-yl)ethanamide
著者Luo, X, Zhao, K.
登録日2017-06-02
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of Small-Molecule Antagonists of the H3K9me3 Binding to UHRF1 Tandem Tudor Domain
SLAS Discov, 23, 2018
1RCS
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BU of 1rcs by Molmil
NMR STUDY OF TRP REPRESSOR-OPERATOR DNA COMPLEX
分子名称: DNA (5'-D(*CP*GP*TP*AP*CP*TP*AP*GP*TP*TP*AP*AP*CP*TP*AP*GP*TP*AP*CP*G)-3'), TRP REPRESSOR, TRYPTOPHAN
著者Zhao, D, Zheng, Z.
登録日1995-05-12
公開日1996-06-20
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The solution structures of the trp repressor-operator DNA complex.
J.Mol.Biol., 238, 1994
1ZUO
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BU of 1zuo by Molmil
Structure of Human Ubiquitin-Conjugating Enzyme (UBCi) Involved in Embryo Attachment and Implantation
分子名称: BETA-MERCAPTOETHANOL, Hypothetical protein LOC92912
著者Walker, J.R, Avvakumov, G.V, Cui, H, Newman, E.M, Mackenzie, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2005-05-31
公開日2005-07-05
最終更新日2012-11-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
2A7L
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BU of 2a7l by Molmil
Structure of the human hypothetical ubiquitin-conjugating enzyme, LOC55284
分子名称: Hypothetical ubiquitin-conjugating enzyme LOC55284, SODIUM ION
著者Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2005-07-05
公開日2005-09-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
5B8D
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BU of 5b8d by Molmil
Crystal structure of a low occupancy fragment candidate (N-(4-Methyl-1,3-thiazol-2-yl)propanamide) bound adjacent to the ubiquitin binding pocket of the HDAC6 zinc-finger domain
分子名称: FORMIC ACID, Histone deacetylase 6, SODIUM ION, ...
著者Harding, R.J, Tempel, W, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, Ravichandran, M, Schapira, M, Bountra, C, Edwards, A.M, von Delft, F, Santhakumar, V, Arrowsmith, C.M, Structural Genomics Consortium (SGC)
登録日2016-06-14
公開日2016-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
J. Med. Chem., 60, 2017
2KDB
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BU of 2kdb by Molmil
Solution Structure of human ubiquitin-like domain of Herpud2_9_85, Northeast Structural Genomics Consortium (NESG) target HT53A
分子名称: Homocysteine-responsive endoplasmic reticulum-resident ubiquitin-like domain member 2 protein
著者Wu, B, Yee, A, Fares, C, Lemak, A, Gutmanas, A, Doherty, R, Semesi, A, Dhe-Paganon, S, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC)
登録日2009-01-06
公開日2009-02-10
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure of human homocysteine-inducible, endoplasmic reticulum stress-inducible, ubiquitin-like domain member 2 (Herpud2 or Herp)
To be Published
2KR1
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BU of 2kr1 by Molmil
Solution NMR structure of zinc binding N-terminal domain of ubiquitin-protein ligase E3A from Homo Sapiens. Northeast Structural Genomics Consortium (NESG) target HR3662
分子名称: Ubiquitin protein ligase E3A, ZINC ION
著者Lemak, A, Yee, A, Fares, C, Semesi, A, Xiao, R, Montelione, G, Dhe-Paganon, S, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC)
登録日2009-11-27
公開日2009-12-22
最終更新日2020-02-26
実験手法SOLUTION NMR
主引用文献Zn-binding AZUL domain of human ubiquitin protein ligase Ube3A.
J.Biomol.Nmr, 51, 2011
1JE3
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BU of 1je3 by Molmil
Solution Structure of EC005 from Escherichia coli
分子名称: HYPOTHETICAL 8.6 KDA PROTEIN IN AMYA-FLIE INTERGENIC REGION
著者Yee, A, Gutierrez, P, Kozlov, G, Denisov, A, Gehring, K, Arrowsmith, C.
登録日2001-06-15
公開日2002-03-06
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献An NMR approach to structural proteomics.
Proc.Natl.Acad.Sci.USA, 99, 2002
4UUV
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BU of 4uuv by Molmil
Structure of the DNA binding ETS domain of human ETV4 in complex with DNA
分子名称: 5'-D(*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP)-3', 5'-D(*AP*CP*TP*TP*CP*CP*GP*GP*TP*CP)-3', ETS TRANSLOCATION VARIANT 4
著者Newman, J.A, Cooper, C.D.O, Kopec, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2014-07-31
公開日2014-08-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of the Ets Domains of Transcription Factors Etv1, Etv4, Etv5 and Fev: Determinants of DNA Binding and Redox Regulation by Disulfide Bond Formation.
J.Biol.Chem., 290, 2015
7SKN
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BU of 7skn by Molmil
De novo synthetic protein DIG8-CC (tetragonal space group)
分子名称: De novo synthetic protein DIG8-CC
著者Mendes, S.R, Eckhard, U, Marcos, E, Gomis-Ruth, F.X.
登録日2021-10-21
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献De novo design of immunoglobulin-like domains
Nat Commun, 13, 2022
7SKP
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BU of 7skp by Molmil
De novo synthetic protein DIG14 (tetragonal space group)
分子名称: De novo synthetic protein DIG14
著者Mendes, S.R, Eckhard, U, Marcos, E, Gomis-Ruth, F.X.
登録日2021-10-21
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献De novo design of immunoglobulin-like domains
Nat Commun, 13, 2022
7SKO
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BU of 7sko by Molmil
De novo synthetic protein DIG8-CC (orthogonal space group)
分子名称: De novo synthetic protein DIG8-CC, MAGNESIUM ION
著者Mendes, S.R, Eckhard, U, Marcos, E, Gomis-Ruth, F.X.
登録日2021-10-21
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献De novo design of immunoglobulin-like domains
Nat Commun, 13, 2022
5ARG
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BU of 5arg by Molmil
SMYD2 in complex with SGC probe BAY-598
分子名称: GLYCEROL, N-LYSINE METHYLTRANSFERASE SMYD2, N-[1-(N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL)-3-(3,4-DICHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, ...
著者Hillig, R.C, Badock, V, Barak, N, Stellfeld, T, Eggert, E, ter Laak, A, Weiske, J, Christ, C.D, Koehr, S, Stoeckigt, D, Mowat, J, Mueller, T, Fernandez-Montalvan, A.E, Hartung, I.V, Stresemann, C, Brumby, T, Weinmann, H.
登録日2015-09-24
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2.
J.Med.Chem., 59, 2016
5ARF
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BU of 5arf by Molmil
SMYD2 in complex with small molecule inhibitor compound-2
分子名称: N-LYSINE METHYLTRANSFERASE SMYD2, N-[3-(4-CHLOROPHENYL)-1-{N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL}-4,5-DIHYDRO-1H- PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, S-ADENOSYLMETHIONINE, ...
著者Hillig, R.C, Badock, V, Barak, N, Stellfeld, T, Eggert, E, ter Laak, A, Weiske, J, Christ, C.D, Koehr, S, Stoeckigt, D, Mowat, J, Mueller, T, Fernandez-Montalvan, A.E, Hartung, I.V, Stresemann, C, Brumby, T, Weinmann, H.
登録日2015-09-24
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2.
J.Med.Chem., 59, 2016
4DYO
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BU of 4dyo by Molmil
Crystal Structure of Human Aspartyl Aminopeptidase (DNPEP) in complex with Aspartic acid Hydroxamate
分子名称: Aspartyl aminopeptidase, GLYCEROL, MAGNESIUM ION, ...
著者Chaikuad, A, Pilka, E, Vollmar, M, Krojer, T, Muniz, J.R.C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2012-02-29
公開日2012-03-14
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of human aspartyl aminopeptidase complexed with substrate analogue: insight into catalytic mechanism, substrate specificity and M18 peptidase family.
Bmc Struct.Biol., 12, 2012
4DO0
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BU of 4do0 by Molmil
Crystal Structure of human PHF8 in complex with Daminozide
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DAMINOZIDE, ...
著者Krojer, T, Daniel, M, Ng, S.S, Walport, L.J, Chowdhury, R, Arrowsmith, C.H, Edwards, A, Bountra, C, Kawamura, A, Muller-Knapp, S, McDonough, M.A, von Delft, F, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2012-02-09
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献

1EJE
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BU of 1eje by Molmil
CRYSTAL STRUCTURE OF AN FMN-BINDING PROTEIN
分子名称: FLAVIN MONONUCLEOTIDE, FMN-BINDING PROTEIN, NICKEL (II) ION, ...
著者Christendat, D, Saridakis, V, Bochkarev, A, Arrowsmith, C, Edwards, A.M, Northeast Structural Genomics Consortium (NESG)
登録日2000-03-02
公開日2000-10-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural proteomics of an archaeon.
Nat.Struct.Biol., 7, 2000
1EPZ
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BU of 1epz by Molmil
CRYSTAL STRUCTURE OF DTDP-6-DEOXY-D-XYLO-4-HEXULOASE 3,5-EPIMERASE FROM METHANOBACTERIUM THERMOAUTOTROPHICUM WITH BOUND LIGAND.
分子名称: DTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE, THYMIDINE-5'-DIPHOSPHATE
著者Christendat, D, Saridakis, V, Bochkarev, A, Pai, E.F, Arrowsmith, C, Edwards, A.M.
登録日2000-03-30
公開日2000-12-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of dTDP-4-keto-6-deoxy-D-hexulose 3,5-epimerase from Methanobacterium thermoautotrophicum complexed with dTDP.
J.Biol.Chem., 275, 2000
2KQ9
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BU of 2kq9 by Molmil
Solution structure of DnaK suppressor protein from Agrobacterium tumefaciens C58. Northeast Structural Genomics Consortium target AtT12/Ontario Center for Structural Proteomics Target atc0888
分子名称: DnaK suppressor protein, ZINC ION
著者Wu, B, Yee, A, Fares, C, Lemak, A, Semest, A, Montelione, G.T, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP)
登録日2009-11-02
公開日2009-11-17
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Solution Structure of DnaK protein from Agrobacterium tumefaciens C58. Northeast Structural Genomics Consortium target AtT12/Ontario Center for Structural Proteomics Target atc0888
To be Published
3K9P
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BU of 3k9p by Molmil
The crystal structure of E2-25K and ubiquitin complex
分子名称: Ubiquitin, Ubiquitin-conjugating enzyme E2 K
著者Kang, G.B, Ko, S, Song, S.M, Lee, W, Eom, S.H.
登録日2009-10-16
公開日2010-09-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of E2-25K/UBB+1 interaction leading to proteasome inhibition and neurotoxicity
J.Biol.Chem., 285, 2010
6G24
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BU of 6g24 by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 3
分子名称: 2-[(~{E})-2-thiophen-2-ylethenyl]benzoic acid, Histone-lysine N-methyltransferase NSD3
著者Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A.
登録日2018-03-22
公開日2019-06-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019

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