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6XCG
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BU of 6xcg by Molmil
Histone-lysine N-methyltransferase NSD2-PWWP1 with compound UNC6934
分子名称: Histone-lysine N-methyltransferase NSD2, N-cyclopropyl-3-oxo-N-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide, UNKNOWN ATOM OR ION
著者Zhou, M.Q, Dong, A, Ingerman, L.A, Hanley, R.P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2020-06-08
公開日2020-07-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献A chemical probe targeting the PWWP domain alters NSD2 nucleolar localization.
Nat.Chem.Biol., 18, 2022
2RGX
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BU of 2rgx by Molmil
Crystal Structure of Adenylate Kinase from Aquifex Aeolicus in complex with Ap5A
分子名称: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ZINC ION
著者Thai, V, Wolf-Watz, M, Fenn, T, Pozharski, E, Wilson, M.A, Petsko, G.A, Kern, D.
登録日2007-10-05
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Intrinsic motions along an enzymatic reaction trajectory.
Nature, 450, 2007
2RH5
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BU of 2rh5 by Molmil
Structure of Apo Adenylate Kinase from Aquifex Aeolicus
分子名称: Adenylate kinase
著者Thai, V, Wolf-Watz, M, Fenn, T, Pozharski, E, Wilson, M.A, Petsko, G.A, Kern, D.
登録日2007-10-05
公開日2007-12-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Intrinsic motions along an enzymatic reaction trajectory.
Nature, 450, 2007
4WVT
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BU of 4wvt by Molmil
Crystal structure of XIAP-BIR2 domain complexed with ligand bound
分子名称: 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Pokross, M.E.
登録日2014-11-07
公開日2015-03-04
最終更新日2015-04-08
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity.
J.Med.Chem., 58, 2015
4WVU
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BU of 4wvu by Molmil
CRYSTAL STRUCTURE OF XIAP-BIR2 DOMAIN COMPLEXED WITH LIGAND BOUND
分子名称: 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, GLYCEROL, ...
著者Pokross, M.E.
登録日2014-11-07
公開日2015-03-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity.
J.Med.Chem., 58, 2015
4WVS
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BU of 4wvs by Molmil
Crystal structure of XIAP-BIR2 domain complexed with (S)-3-(4-methoxyphenyl)-2-((S)-2-((S)-1-((S)-2-((S)-2-(methylamino)propanamido)pent-4-ynoyl)pyrrolidine-2-carboxamido)-3-phenylpropanamido)propanoic acid
分子名称: 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, GLYCEROL, ...
著者Pokross, M.E.
登録日2014-11-07
公開日2015-05-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity.
J.Med.Chem., 58, 2015
5T1I
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BU of 5t1i by Molmil
CBX3 chromo shadow domain in complex with histone H3 peptide
分子名称: Chromobox protein homolog 3, Histone H3.1, UNKNOWN ATOM OR ION
著者Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2016-08-19
公開日2016-09-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Peptide recognition by heterochromatin protein 1 (HP1) chromoshadow domains revisited: Plasticity in the pseudosymmetric histone binding site of human HP1.
J. Biol. Chem., 292, 2017
5VC9
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BU of 5vc9 by Molmil
Zinc finger of human CXXC4 in complex with CpG DNA
分子名称: CXXC-type zinc finger protein 4, CpG DNA, UNKNOWN ATOM OR ION, ...
著者Liu, K, Xu, C, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2017-03-31
公開日2017-06-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
5VFC
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BU of 5vfc by Molmil
WDR5 bound to inhibitor MM-589
分子名称: 1,2-ETHANEDIOL, N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide, SULFATE ION, ...
著者Stuckey, J.A.
登録日2017-04-07
公開日2017-06-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J. Med. Chem., 60, 2017
3D0Z
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BU of 3d0z by Molmil
Structural charcaterization of an engineered allosteric protein
分子名称: GLUTATHIONE, Glutathione S-transferase class-mu 26 kDa isozyme
著者Sagermann, M.
登録日2008-05-02
公開日2009-02-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Using affinity chromatography to engineer and characterize pH-dependent protein switches.
Protein Sci., 18, 2009
2HY8
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BU of 2hy8 by Molmil
PAK1 complex with ST2001
分子名称: (5S,6R,7R,9R)-12-HYDROXY-6-METHOXY-5-METHYL-7-(METHYLAMINO)-6,7,8,9-TETRAHYDRO-5H,14H-5,9-EPOXY-4B,9A,15-TRIAZADIBENZO[ B,H]CYCLONONA[1,2,3,4-JKL]CYCLOPENTA[E]-AS-INDACEN-14-ONE, Serine/threonine-protein kinase PAK 1
著者Schulze-Gahmen, U, Lu, H.
登録日2006-08-04
公開日2006-11-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the Complex Between Human Pak1-kinase and 3-Hydroxystaurosporine
To be Published
8K4L
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BU of 8k4l by Molmil
Crystal structure of NRF1 homodimer in complex with DNA
分子名称: DNA (14-MER), GLYCEROL, Nuclear respiratory factor 1
著者Liu, K, Li, W.F, Min, J.R.
登録日2023-07-19
公開日2023-12-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular mechanism of specific DNA sequence recognition by NRF1.
Nucleic Acids Res., 52, 2024
8K3D
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BU of 8k3d by Molmil
Crystal structure of NRF1 DBD bound to DNA
分子名称: DNA (5'-D(*GP*GP*TP*GP*CP*GP*CP*AP*TP*GP*CP*GP*CP*AP*CP*C)-3'), Nuclear respiratory factor 1
著者Li, W.F, Liu, K, Min, J.R.
登録日2023-07-15
公開日2023-12-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular mechanism of specific DNA sequence recognition by NRF1.
Nucleic Acids Res., 52, 2024
4Z3C
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BU of 4z3c by Molmil
Zinc finger region of human TET3 in complex with CpG DNA
分子名称: DNA (5'-D(*GP*CP*CP*AP*AP*CP*GP*TP*TP*GP*GP*C)-3'), Methylcytosine dioxygenase, UNKNOWN ATOM OR ION, ...
著者Liu, K, Xu, C, Tempel, W, Dong, A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2015-03-31
公開日2015-04-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 2017
7YT9
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BU of 7yt9 by Molmil
crystal structure of AGD1-4 of Arabidopsis AGDP3
分子名称: AGD1-4 of Arabidopsis AGDP3
著者Zhou, X, Du, J.
登録日2022-08-13
公開日2022-10-12
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The H3K9me2-binding protein AGDP3 limits DNA methylation and transcriptional gene silencing in Arabidopsis.
J Integr Plant Biol, 64, 2022
7YTA
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BU of 7yta by Molmil
crystal structure of NtAGDP3 AGD1-2 in complex with an H3K9me2 peptide
分子名称: AGDP3 AGD1-2, H3(1-15)K9me2 peptide
著者Zhou, X, Du, J.
登録日2022-08-13
公開日2022-10-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献The H3K9me2-binding protein AGDP3 limits DNA methylation and transcriptional gene silencing in Arabidopsis.
J Integr Plant Biol, 64, 2022
4O64
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BU of 4o64 by Molmil
Zinc fingers of KDM2B
分子名称: Lysine-specific demethylase 2B, UNKNOWN ATOM OR ION, ZINC ION
著者Liu, K, Xu, C, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2013-12-20
公開日2014-04-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
4NW3
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BU of 4nw3 by Molmil
Crystal structure of MLL CXXC domain in complex with a CpG DNA
分子名称: 5'-D(*GP*CP*CP*AP*TP*CP*GP*AP*TP*GP*GP*C)-3', Histone-lysine N-methyltransferase 2A, ZINC ION
著者Bian, C, Tempel, W, Chao, X, Walker, J.R, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2013-12-05
公開日2014-04-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
4PZI
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BU of 4pzi by Molmil
Zinc finger region of MLL2 in complex with CpG DNA
分子名称: DNA (5'-D(*GP*CP*CP*AP*CP*CP*GP*GP*TP*GP*GP*C)-3'), Histone-lysine N-methyltransferase 2B, UNKNOWN ATOM OR ION, ...
著者Chao, X, Tempel, W, Liu, K, Dong, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2014-03-31
公開日2014-06-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
4QQG
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BU of 4qqg by Molmil
Crystal structure of an N-terminal HTATIP fragment
分子名称: Histone acetyltransferase KAT5, UNKNOWN ATOM OR ION
著者Liu, Y, Tempel, W, Wernimont, A.K, Dobrovetsky, E, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2014-06-27
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and histone binding studies of the chromo barrel domain of TIP60.
FEBS Lett., 592, 2018
8K8C
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BU of 8k8c by Molmil
Crystal structure of C/EBPalpha BZIP domain bound to a high affinity DNA
分子名称: CCAAT/enhancer-binding protein alpha, DNA (5'-D(*CP*AP*TP*TP*AP*CP*GP*TP*AP*AP*TP*GP*A)-3'), DNA (5'-D(*CP*AP*TP*TP*AP*CP*GP*TP*AP*AP*TP*GP*T)-3'), ...
著者Min, J.R, Chen, S.Z, Liu, K.
登録日2023-07-29
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural basis for specific DNA sequence recognition by the transcription factor NFIL3.
J.Biol.Chem., 300, 2024
8K8A
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BU of 8k8a by Molmil
Crystal structure of NFIL3 in complex with TTACGTAA DNA
分子名称: DNA (5'-D(*CP*AP*TP*TP*AP*CP*GP*TP*AP*AP*TP*G)-3'), Nuclear factor interleukin-3-regulated protein
著者Min, J.R, Chen, S.Z, Liu, K.
登録日2023-07-29
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural basis for specific DNA sequence recognition by the transcription factor NFIL3.
J.Biol.Chem., 300, 2024
8K89
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Crystal structure of NFIL3
分子名称: Nuclear factor interleukin-3-regulated protein
著者Min, J.R, Chen, S.Z, Liu, K.
登録日2023-07-29
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for specific DNA sequence recognition by the transcription factor NFIL3.
J.Biol.Chem., 300, 2024
8K8D
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Crystal structure of C/EBPbeta BZIP domain bound to a high affinity DNA
分子名称: CCAAT/enhancer-binding protein beta, DNA (5'-D(*CP*AP*TP*TP*AP*CP*GP*TP*AP*AP*TP*G)-3')
著者Min, J.R, Chen, S.Z, Liu, K.
登録日2023-07-29
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for specific DNA sequence recognition by the transcription factor NFIL3.
J.Biol.Chem., 300, 2024
8K86
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Crystal structure of NFIL3 in complex with TTATGTAA DNA
分子名称: DNA (5'-D(*CP*AP*TP*TP*AP*TP*GP*TP*AP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*TP*AP*CP*AP*TP*AP*AP*TP*G)-3'), Nuclear factor interleukin-3-regulated protein
著者Min, J.R, Chen, S.Z, Liu, K.
登録日2023-07-28
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural basis for specific DNA sequence recognition by the transcription factor NFIL3.
J.Biol.Chem., 300, 2024

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