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8HML
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BU of 8hml by Molmil
Co-crystal structure of the C terminal DNA binding domain of Saccharopolyspora erythraea GlnR in complex with its conserved promoter DNA in 2.95 Angstrom resolution
分子名称: DNA (5'-D(*AP*CP*GP*TP*AP*AP*CP*AP*TP*CP*GP*CP*GP*GP*TP*AP*AP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*TP*TP*AP*CP*CP*GP*CP*GP*AP*TP*GP*TP*TP*AP*CP*GP*T)-3'), DNA-binding response OmpR family regulator
著者Lin, W, Xu, J.C.
登録日2022-12-04
公開日2023-06-07
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural insights into the transcription activation mechanism of the global regulator GlnR from actinobacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
4H12
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BU of 4h12 by Molmil
The crystal structure of methyltransferase domain of human SET domain-containing protein 2 in complex with S-adenosyl-L-homocysteine
分子名称: CHLORIDE ION, Histone-lysine N-methyltransferase SETD2, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Amaya, M.F, Dong, A, Zeng, H, Mackenzie, F, Bunnage, M, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2012-09-10
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Sinefungin Derivatives as Inhibitors and Structure Probes of Protein Lysine Methyltransferase SETD2.
J.Am.Chem.Soc., 134, 2012
3NY1
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BU of 3ny1 by Molmil
Structure of the ubr-box of the UBR1 ubiquitin ligase
分子名称: E3 ubiquitin-protein ligase UBR1, ZINC ION
著者Matta-Camacho, E, Kozlov, G, Li, F, Gehring, K.
登録日2010-07-14
公開日2010-08-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.085 Å)
主引用文献Structural basis of substrate recognition and specificity in the N-end rule pathway.
Nat.Struct.Mol.Biol., 17, 2010
5CX3
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BU of 5cx3 by Molmil
Crystal structure of FYCO1 LIR in complex with LC3A
分子名称: FYVE and coiled-coil domain-containing protein 1, GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3A
著者Cheng, X, Pan, L.
登録日2015-07-28
公開日2016-08-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of FYCO1 and MAP1LC3A interaction reveals a novel binding mode for Atg8-family proteins.
Autophagy, 12, 2016
7L9A
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BU of 7l9a by Molmil
Crystal structure of BRDT bromodomain 2 in complex with CDD-1102
分子名称: BETA-MERCAPTOETHANOL, Bromodomain testis-specific protein, N~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carbonyl]amino}-2-methylphenyl)-N~4~-methylbenzene-1,4-dicarboxamide
著者Sharma, R, Kaur, G, Yu, Z, Ku, A.F, Anglin, J.L, Ucisik, M.N, Faver, J.C, Sankaran, B, Kim, C, Matzuk, M.M.
登録日2021-01-03
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Discovery and characterization of bromodomain 2-specific inhibitors of BRDT.
Proc.Natl.Acad.Sci.USA, 118, 2021
7XI3
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BU of 7xi3 by Molmil
Crystal Structure of the NPAS4-ARNT2 heterodimer in complex with DNA
分子名称: Aryl hydrocarbon receptor nuclear translocator 2, DNA (5'-D(P*CP*CP*AP*TP*CP*AP*CP*TP*CP*AP*CP*GP*AP*CP*CP*T)-3'), DNA (5'-D(P*GP*GP*AP*GP*GP*TP*CP*GP*TP*GP*AP*GP*TP*GP*AP*T)-3'), ...
著者Sun, X.N, Jing, L.Q, Li, F.W, Wu, D.L.
登録日2022-04-11
公開日2022-11-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (4.274 Å)
主引用文献Structures of NPAS4-ARNT and NPAS4-ARNT2 heterodimers reveal new dimerization modalities in the bHLH-PAS transcription factor family.
Proc.Natl.Acad.Sci.USA, 119, 2022
3NY2
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BU of 3ny2 by Molmil
Structure of the ubr-box of UBR2 ubiquitin ligase
分子名称: E3 ubiquitin-protein ligase UBR2, ZINC ION
著者Matta-Camacho, E, Kozlov, G, Li, F, Gehring, K.
登録日2010-07-14
公開日2010-08-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structural basis of substrate recognition and specificity in the N-end rule pathway.
Nat.Struct.Mol.Biol., 17, 2010
7XI4
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BU of 7xi4 by Molmil
Crystal Structure of the NPAS4-ARNT heterodimer in complex with DNA
分子名称: Aryl hydrocarbon receptor nuclear translocator, DNA (5'-D(*GP*GP*AP*GP*GP*TP*CP*GP*TP*GP*AP*GP*TP*GP*AP*T)-3'), DNA (5'-D(P*CP*CP*AP*TP*CP*AP*CP*TP*CP*AP*CP*GP*AP*CP*CP*T)-3'), ...
著者Sun, X.N, Jing, L.Q, Li, F.W, Wu, D.L.
登録日2022-04-12
公開日2022-11-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (4.707 Å)
主引用文献Structures of NPAS4-ARNT and NPAS4-ARNT2 heterodimers reveal new dimerization modalities in the bHLH-PAS transcription factor family.
Proc.Natl.Acad.Sci.USA, 119, 2022
3NY3
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BU of 3ny3 by Molmil
Structure of the ubr-box of UBR2 in complex with N-degron
分子名称: E3 ubiquitin-protein ligase UBR2, N-degron, ZINC ION
著者Matta-Camacho, E, Kozlov, G, Li, F, Gehring, K.
登録日2010-07-14
公開日2010-08-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis of substrate recognition and specificity in the N-end rule pathway.
Nat.Struct.Mol.Biol., 17, 2010
7XHV
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BU of 7xhv by Molmil
Crystal Structure of the NPAS4-ARNT heterodimer in complex with DNA
分子名称: Aryl hydrocarbon receptor nuclear translocator, DNA (5'-D(P*CP*CP*AP*TP*CP*AP*CP*TP*CP*AP*CP*GP*AP*CP*CP*T)-3'), DNA (5'-D(P*GP*GP*AP*GP*GP*TP*CP*GP*TP*GP*AP*GP*TP*GP*AP*T)-3'), ...
著者Sun, X.N, Jing, L.Q, Li, F.W, Wu, D.L.
登録日2022-04-10
公開日2022-11-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.996 Å)
主引用文献Structures of NPAS4-ARNT and NPAS4-ARNT2 heterodimers reveal new dimerization modalities in the bHLH-PAS transcription factor family.
Proc.Natl.Acad.Sci.USA, 119, 2022
6KP6
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BU of 6kp6 by Molmil
The structural study of mutation induced inactivation of Human muscarinic receptor M4
分子名称: Muscarinic acetylcholine receptor M4,GlgA glycogen synthase,Muscarinic acetylcholine receptor M4
著者Wang, J.J, Wu, M, Wu, L.J, Liu, Z.J, Hua, T.
登録日2019-08-14
公開日2020-03-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The structural study of mutation-induced inactivation of human muscarinic receptor M4
Iucrj, 7, 2020
6E68
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BU of 6e68 by Molmil
NAMPT co-crystal with inhibitor compound 2
分子名称: (2E)-N-{4-[1-(3-aminobenzene-1-carbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
著者Waight, A.B, Neumann, C.S.
登録日2018-07-24
公開日2018-08-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献NAMPT co-crystal with inhibitor compound 2
to be published
7N5S
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BU of 7n5s by Molmil
ZBTB7A Zinc Finger Domain Bound to -200 Site of Fetal Globin Promoter (Oligo 6)
分子名称: DNA Strand I, DNA Strand II, ZINC ION, ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2021-06-06
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Structural basis for human ZBTB7A action at the fetal globin promoter.
Cell Rep, 36, 2021
7N5T
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BU of 7n5t by Molmil
ZBTB7A Zinc Finger Domain Bound to -200 Site of Fetal Globin Promoter (Oligo 5)
分子名称: DNA Strand I, DNA Strand II, ZINC ION, ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2021-06-06
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for human ZBTB7A action at the fetal globin promoter.
Cell Rep, 36, 2021
6D2L
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BU of 6d2l by Molmil
Crystal structure of human CARM1 with (S)-SKI-72
分子名称: (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
著者DONG, A, ZENG, H, WALKER, J.R, Hutchinson, A, Seitova, A, LUO, M, CAI, X.C, KE, W, WANG, J, SHI, C, ZHENG, W, LEE, J.P, IBANEZ, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2018-04-13
公開日2018-05-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
6CBY
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BU of 6cby by Molmil
Crystal structure of human SET and MYND Domain Containing protein 2 with MTF9975
分子名称: N-lysine methyltransferase SMYD2, ZINC ION, [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone
著者ZENG, H, DONG, A, Hutchinson, A, Seitova, A, TATLOCK, J, KUMPF, R, OWEN, A, TAYLOR, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2018-02-05
公開日2018-03-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Selective, Small-Molecule Co-Factor Binding Site Inhibition of a Su(var)3-9, Enhancer of Zeste, Trithorax Domain Containing Lysine Methyltransferase.
J.Med.Chem., 62, 2019
5EQE
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BU of 5eqe by Molmil
Crystal structure of choline kinase alpha-1 bound by [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine (compound 11)
分子名称: Choline kinase alpha, [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
著者Zhou, T, Zhu, X, Dalgarno, D.C.
登録日2015-11-12
公開日2016-01-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery.
J.Med.Chem., 59, 2016
7MDN
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BU of 7mdn by Molmil
Histone-lysine N-methyltransferase NSD2-PWWP1 with compound MRT10241866a
分子名称: Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION, ~{N}-cyclopropyl-3-oxidanylidene-~{N}-(thiophen-2-ylmethyl)-4~{H}-1,4-benzoxazine-7-carboxamide
著者Lei, M, Freitas, R.F, Dong, A, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2021-04-05
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献A chemical probe targeting the PWWP domain alters NSD2 nucleolar localization.
Nat.Chem.Biol., 18, 2022
5EQP
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BU of 5eqp by Molmil
Crystal structure of choline kinase alpha-1 bound by 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline (compound 37)
分子名称: 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline, Choline kinase alpha
著者Zhou, T, Zhu, X, Dalgarno, D.C.
登録日2015-11-13
公開日2016-01-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery.
J.Med.Chem., 59, 2016
5EQ0
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BU of 5eq0 by Molmil
Crystal Structure of chromodomain of CBX8 in complex with inhibitor UNC3866
分子名称: Chromobox protein homolog 8, UNKNOWN ATOM OR ION, unc3866
著者Liu, Y, Tempel, W, Walker, J.R, Stuckey, J.I, Dickson, B.M, James, L.I, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2015-11-12
公開日2015-12-23
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1.
Nat.Chem.Biol., 12, 2016
5F3W
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BU of 5f3w by Molmil
Structure of the ATPrS-Mre11/Rad50-DNA complex
分子名称: 27-MER DNA, DNA double-strand break repair Rad50 ATPase,DNA double-strand break repair Rad50 ATPase, DNA double-strand break repair protein Mre11, ...
著者Liu, Y.
登録日2015-12-03
公開日2016-03-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献ATP-dependent DNA binding, unwinding, and resection by the Mre11/Rad50 complex
Embo J., 35, 2016
7L99
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BU of 7l99 by Molmil
Crystal structure of BRDT bromodomain 2 in complex with CDD-1302
分子名称: Bromodomain testis-specific protein, N-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carboxamide, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500)
著者Sharma, R, Yu, Z, Ku, A.F, Anglin, J.L, Ucisik, M.N, Faver, J.C, Sankaran, B, Kim, C, Matzuk, M.M.
登録日2021-01-03
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and characterization of bromodomain 2-specific inhibitors of BRDT.
Proc.Natl.Acad.Sci.USA, 118, 2021
7N9H
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BU of 7n9h by Molmil
Structure of the mammalian importin a1 bound to the TDP-43 NLS
分子名称: Importin subunit alpha-1, TAR DNA-binding protein 43
著者Doll, S.G, Lokareddy, R.K, Cingolani, G.
登録日2021-06-17
公開日2022-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Recognition of the TDP-43 nuclear localization signal by importin alpha 1/ beta.
Cell Rep, 39, 2022
5E8R
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BU of 5e8r by Molmil
Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae)
分子名称: CHLORIDE ION, N-methyl-N-({4-[4-(propan-2-yloxy)phenyl]-1H-pyrrol-3-yl}methyl)ethane-1,2-diamine, Protein arginine N-methyltransferase 6, ...
著者DONG, A, ZENG, H, LIU, J, TEMPEL, W, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, JIN, J, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2015-10-14
公開日2015-12-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献A Potent, Selective, and Cell-Active Inhibitor of Human Type I Protein Arginine Methyltransferases.
Acs Chem.Biol., 11, 2016
5EPK
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BU of 5epk by Molmil
Crystal Structure of chromodomain of CBX2 in complex with inhibitor UNC3866
分子名称: Chromobox protein homolog 2, UNKNOWN ATOM OR ION, unc3866
著者Liu, Y, Tempel, W, Walker, J.R, Stuckey, J.I, Dickson, B.M, James, L.I, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2015-11-11
公開日2015-12-23
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1.
Nat.Chem.Biol., 12, 2016

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