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3HA6
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BU of 3ha6 by Molmil
Crystal structure of aurora A in complex with TPX2 and compound 10
分子名称: N~2~-(3,4-dimethoxyphenyl)-N~4~-[2-(2-fluorophenyl)ethyl]-N~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine, Serine/threonine-protein kinase 6, Targeting protein for Xklp2
著者Zhao, B, Clark, M.A.
登録日2009-05-01
公開日2009-08-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Design, synthesis and selection of DNA-encoded small-molecule libraries.
Nat.Chem.Biol., 5, 2009
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
3EY2
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BU of 3ey2 by Molmil
A Conformational Transition in the Structure of a 2'-Thiomethyl-Modified DNA Visualized at High Resolution
分子名称: 5'-D(*GP*CP*GP*TP*AP*(USM)P*AP*CP*GP*C)-3', N-methylpropane-1,3-diamine
著者Egli, M, Pallan, P.S.
登録日2008-10-17
公開日2009-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献A conformational transition in the structure of a 2'-thiomethyl-modified DNA visualized at high resolution.
Chem.Commun.(Camb.), 15, 2009
3EY3
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BU of 3ey3 by Molmil
A Conformational Transition in the Structure of a 2'-Thiomethyl-Modified DNA Visualized at High Resolution
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5'-D(*CP*GP*CP*GP*AP*AP*(USM)P*(USM)P*CP*GP*CP*G)-3', STRONTIUM ION
著者Egli, M, Pallan, P.S.
登録日2008-10-17
公開日2009-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A conformational transition in the structure of a 2'-thiomethyl-modified DNA visualized at high resolution.
Chem.Commun.(Camb.), 15, 2009
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
5DNY
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BU of 5dny by Molmil
Structure of the ATPrS-Mre11/Rad50-DNA complex
分子名称: DNA (27-MER), 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2015-09-10
公開日2016-02-24
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
3HA8
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BU of 3ha8 by Molmil
THE COMPLEX STRUCTURE OF THE MAP KINASE P38/Compound 14b
分子名称: Mitogen-activated protein kinase 14, N~2~-{4-[6-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide
著者Zhao, B, Clark, M.A.
登録日2009-05-01
公開日2009-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Design, synthesis and selection of DNA-encoded small-molecule libraries.
Nat.Chem.Biol., 5, 2009
2MOX
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BU of 2mox by Molmil
solution structure of tandem SH3 domain of Sorbin and SH3 domain-containing protein 1
分子名称: Sorbin and SH3 domain-containing protein 1
著者Zhao, D, Wang, C, Zhang, J, Wu, J, Shi, Y, Zhang, Z, Gong, Q.
登録日2014-05-07
公開日2014-05-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural investigation of the interaction between the tandem SH3 domains of c-Cbl-associated protein and vinculin
J.Struct.Biol., 187, 2014
2QOH
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BU of 2qoh by Molmil
Crystal Structure of Abl kinase bound with PPY-A
分子名称: 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE, Proto-oncogene tyrosine-protein kinase ABL1
著者Zhou, T, Dalgarno, D, Zhu, X.
登録日2007-07-20
公開日2007-09-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of the T315I Mutant of Abl Kinase
Chem.Biol.Drug Des., 70, 2007
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
6AAS
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BU of 6aas by Molmil
Solution Structure for helix 45 in 3' end of 12S rRNA
分子名称: RNA (28-MER)
著者Liu, X, Wu, P.
登録日2018-07-19
公開日2019-06-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural insights into dimethylation of 12S rRNA by TFB1M: indispensable role in translation of mitochondrial genes and mitochondrial function.
Nucleic Acids Res., 47, 2019
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
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
5OJH
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BU of 5ojh by Molmil
Crystal structure of the extramembrane domain of the cellulose biosynthetic protein BcsG from Salmonella typhimurium
分子名称: CITRATE ANION, Cellulose biosynthesis protein BcsG, ZINC ION
著者Schneider, G, Vella, P, Lindqvist, Y, Schnell, R.
登録日2017-07-21
公開日2018-08-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural and Functional Characterization of the BcsG Subunit of the Cellulose Synthase in Salmonella typhimurium.
J. Mol. Biol., 430, 2018
8HL8
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BU of 8hl8 by Molmil
Crystal structrue of MtdL R257K mutant
分子名称: MANGANESE (II) ION, Transglycosylse
著者Li, F.D, He, C.
登録日2022-11-29
公開日2023-03-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding.
J.Biol.Chem., 299, 2023
8SQF
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BU of 8sqf by Molmil
OXA-48 bound to inhibitor CDD-2725
分子名称: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase
著者Park, S, Judge, A, Fan, J, Sankaran, B, Prasad, B.V.V, Palzkill, T.
登録日2023-05-04
公開日2024-01-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library.
J.Med.Chem., 67, 2024
8SQG
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BU of 8sqg by Molmil
OXA-48 bound to inhibitor CDD-2801
分子名称: (1M)-3'-(benzyloxy)-5-[2-(methylamino)-2-oxoethoxy][1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase
著者Park, S, Judge, A, Fan, J, Sankaran, B, Palzkill, T.
登録日2023-05-04
公開日2024-01-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library.
J.Med.Chem., 67, 2024
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
5OLT
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BU of 5olt by Molmil
Crystal structure of the extramembrane domain of the cellulose biosynthetic protein BcsG from Salmonella typhimurium
分子名称: CITRIC ACID, Cellulose biosynthesis protein BcsG, ZINC ION
著者Vella, P, Polyakova, A, Lindqvist, Y, Schnell, R, Bourenkov, G, Schneider, T, Schneider, G.
登録日2017-07-28
公開日2018-08-08
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural and Functional Characterization of the BcsG Subunit of the Cellulose Synthase in Salmonella typhimurium.
J. Mol. Biol., 430, 2018
8U10
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BU of 8u10 by Molmil
In situ cryo-EM structure of bacteriophage P22 gp1:gp4:gp5:gp10:gp9 N-term complex in conformation 1 at 3.2A resolution
分子名称: Major capsid protein, Packaged DNA stabilization protein gp10, Peptidoglycan hydrolase gp4, ...
著者Iglesias, S, Feng-Hou, C, Cingolani, G.
登録日2023-08-30
公開日2023-11-22
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular Architecture of Salmonella Typhimurium Virus P22 Genome Ejection Machinery.
J.Mol.Biol., 435, 2023
8U11
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BU of 8u11 by Molmil
In situ cryo-EM structure of bacteriophage P22 gp1:gp5:gp4: gp10: gp9 N-term complex in conformation 2 at 3.1A resolution
分子名称: Major capsid protein, Packaged DNA stabilization protein gp10, Peptidoglycan hydrolase gp4, ...
著者Iglesias, S, Feng-Hou, C, Cingolani, G.
登録日2023-08-30
公開日2023-11-22
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Molecular Architecture of Salmonella Typhimurium Virus P22 Genome Ejection Machinery.
J.Mol.Biol., 435, 2023
8TVU
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BU of 8tvu by Molmil
In situ cryo-EM structure of bacteriophage P22 portal protein: head-to-tail protein complex at 3.0A resolution
分子名称: Peptidoglycan hydrolase gp4, Portal protein
著者Iglesias, S.M, Cingolani, G, Feng-Hou, C.
登録日2023-08-18
公開日2023-11-29
最終更新日2023-12-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Molecular Architecture of Salmonella Typhimurium Virus P22 Genome Ejection Machinery.
J.Mol.Biol., 435, 2023
8TVR
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BU of 8tvr by Molmil
In situ cryo-EM structure of bacteriophage P22 tail hub protein: tailspike protein complex at 2.8A resolution
分子名称: Packaged DNA stabilization protein gp10, Tail spike protein
著者Iglesias, S, Cingolani, G, Feng-Hou, C.
登録日2023-08-18
公開日2023-11-29
最終更新日2023-12-06
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Molecular Architecture of Salmonella Typhimurium Virus P22 Genome Ejection Machinery.
J.Mol.Biol., 435, 2023
8U1O
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BU of 8u1o by Molmil
In situ cryo-EM structure of bacteriophage P22 tailspike protein complex at 3.4A resolution
分子名称: Tail spike protein
著者Iglesias, S.M, Feng-Hou, C, Cingolani, G.
登録日2023-09-01
公開日2023-11-29
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Molecular Architecture of Salmonella Typhimurium Virus P22 Genome Ejection Machinery.
J.Mol.Biol., 435, 2023

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