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4ACH
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BU of 4ach by Molmil
GSK3b in complex with inhibitor
分子名称: 3-AMINO-N-(3-METHOXYPROPYL)-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}PYRAZINE-2-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA
著者Xue, Y, Ormo, M.
登録日2011-12-15
公開日2012-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
2JUP
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BU of 2jup by Molmil
FBP28WW2 domain in complex with the PPLIPPPP peptide
分子名称: Formin-1, Transcription elongation regulator 1
著者Ramirez-Espain, X, Ruiz, L, Martin-Malpartida, P, Oschkinat, H, Macias, M.J.
登録日2007-09-01
公開日2007-11-06
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural Characterization of a New Binding Motif and a Novel Binding Mode in Group 2 WW Domains
J.Mol.Biol., 373, 2007
8DSD
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BU of 8dsd by Molmil
Human NAMPT in complex with substrate NAM and small molecule activator NP-A1-S
分子名称: (3S)-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ...
著者Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R.
登録日2022-07-22
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.429 Å)
主引用文献Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
8DSH
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BU of 8dsh by Molmil
Human NAMPT in complex with quercitrin and AMPcP
分子名称: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, Nicotinamide phosphoribosyltransferase, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
著者Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R.
登録日2022-07-22
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
8DTJ
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BU of 8dtj by Molmil
Human NAMPT in complex with small molecule activator ZN-43-S
分子名称: (3S)-N-[(1-benzothiophen-5-yl)methyl]-1-{2-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-yl}piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ...
著者Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R.
登録日2022-07-25
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.118 Å)
主引用文献Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
8DSI
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BU of 8dsi by Molmil
Human NAMPT in complex with substrate NAM
分子名称: CHLORIDE ION, GLYCEROL, NICOTINAMIDE, ...
著者Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R.
登録日2022-07-22
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
8DSC
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BU of 8dsc by Molmil
Human NAMPT in complex with substrate NAM and small molecule activator NP-A1-R
分子名称: (3R)-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ...
著者Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R.
登録日2022-07-22
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.321 Å)
主引用文献Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
8DSE
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BU of 8dse by Molmil
Human NAMPT in complex with substrate NAM and activator quercitrin
分子名称: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, CHLORIDE ION, NICOTINAMIDE, ...
著者Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R.
登録日2022-07-22
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.428 Å)
主引用文献Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
4ABN
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BU of 4abn by Molmil
Crystal structure of full length mouse Strap (TTC5)
分子名称: 1,2-ETHANEDIOL, TETRATRICOPEPTIDE REPEAT PROTEIN 5
著者Pike, A.C.W, Bullock, A.N, Kleinekofort, W, Zimmermann, T, Burgess-Brown, N, Sharpe, T.D, Thangaratnarajah, C, Keates, T, Ugochukwu, E, Bunkoczi, G, Uppenberg, J, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, La Thangue, N.B, Knapp, S.
登録日2011-12-09
公開日2012-01-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The P53 Cofactor Strap Exhibits an Unexpected Tpr Motif and Oligonucleotide-Binding (Ob)-Fold Structure.
Proc.Natl.Acad.Sci.USA, 109, 2012
8DNH
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BU of 8dnh by Molmil
Cryo-EM structure of nonmuscle beta-actin
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ...
著者Arora, A.S, Huang, H.L, Heissler, S.M, Chinthalapudi, K.
登録日2022-07-11
公開日2023-04-12
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Structural insights into actin isoforms.
Elife, 12, 2023
7E29
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BU of 7e29 by Molmil
Crystal Structure of Saccharomyces cerevisiae Ioc4 PWWP domain fused with MBP
分子名称: Maltose/maltodextrin-binding periplasmic protein,ISWI one complex protein 4, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Li, J, Smolle, M, Liang, H, Liu, Y.
登録日2021-02-05
公開日2022-02-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献H3K36 methylation and DNA-binding both promote Ioc4 recruitment and Isw1b remodeler function.
Nucleic Acids Res., 50, 2022
1CKS
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BU of 1cks by Molmil
HUMAN CKSHS2 ATOMIC STRUCTURE: A ROLE FOR ITS HEXAMERIC ASSEMBLY IN CELL CYCLE CONTROL
分子名称: CYCLIN-DEPENDENT KINASE SUBUNIT, TYPE 2, SULFATE ION
著者Parge, H.E, Arvai, A.S, Tainer, J.A.
登録日1993-09-16
公開日1995-02-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human CksHs2 atomic structure: a role for its hexameric assembly in cell cycle control.
Science, 262, 1993
8E4H
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BU of 8e4h by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGAGGAAGTGGG)
分子名称: DNA (5'-D(*AP*AP*TP*AP*AP*GP*AP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*TP*CP*TP*TP*AP*T)-3'), Transcription factor PU.1
著者Terrell, J.R, Poon, G.M.K.
登録日2022-08-18
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8E3K
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BU of 8e3k by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAAGTGGG)
分子名称: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
著者Terrell, J.R, Poon, G.M.K.
登録日2022-08-17
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8E5Y
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BU of 8e5y by Molmil
Human PU.1 ETS-Domain Bound to d(AATAAGCGGAAGTGGG) Acetate Free at pH 5.4
分子名称: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
著者Terrell, J.R, Poon, G.M.K.
登録日2022-08-22
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EBH
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BU of 8ebh by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAATGGGG)
分子名称: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*TP*GP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*CP*AP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), Transcription factor PU.1
著者Terrell, J.R, Poon, G.M.K.
登録日2022-08-31
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
1CJT
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BU of 1cjt by Molmil
COMPLEX OF GS-ALPHA WITH THE CATALYTIC DOMAINS OF MAMMALIAN ADENYLYL CYCLASE: COMPLEX WITH BETA-L-2',3'-DIDEOXYATP, MN, AND MG
分子名称: 2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ...
著者Tesmer, J.J.G, Sprang, S.R.
登録日1999-04-16
公開日1999-08-31
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Two-metal-Ion catalysis in adenylyl cyclase.
Science, 285, 1999
4ACG
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BU of 4acg by Molmil
GSK3b in complex with inhibitor
分子名称: 2-AMINO-5-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-[4-(PYRROLIDIN-1-YLMETHYL)PYRIDIN-3-YL]PYRIDINE-3-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA
著者Xue, Y, Ormo, M.
登録日2011-12-15
公開日2012-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
8DSM
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BU of 8dsm by Molmil
Human NAMPT in complex with inhibitor ZN-4-3
分子名称: (3S)-N-[(1-benzothiophen-5-yl)methyl]-1-[6-(4-{2-[(2E)-3-(pyridin-3-yl)prop-2-enamido]ethyl}phenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ...
著者Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R.
登録日2022-07-22
公開日2023-08-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A structural mechanism for positive allosteric modulation of nicotinamide phosphoribosyltransferase to elevate cellular NAD+
To Be Published
8EDG
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BU of 8edg by Molmil
Cryo-EM structure of the Hermes transposase bound to two left-ends of its DNA transposon
分子名称: DNA (46-MER), DNA (5'-D(*GP*CP*GP*TP*GP*AP*A)-3'), DNA (55-MER), ...
著者Lannes, L, Dyda, F.
登録日2022-09-04
公開日2023-08-02
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (4.64 Å)
主引用文献Zinc-finger BED domains drive the formation of the active Hermes transpososome by asymmetric DNA binding.
Nat Commun, 14, 2023
8E67
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BU of 8e67 by Molmil
ETV6 H396Y variant bound to DNA containing the sequence GGAT
分子名称: Complementary 15 bp strand, GGAT-containing 15 bp DNA, Transcription factor ETV6
著者Scheu, K, Chan, A.C, Murphy, M.E, McIntosh, L.P.
登録日2022-08-22
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The functional role of histidine within the ETV6 ETS domain
to be published
1C20
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BU of 1c20 by Molmil
SOLUTION STRUCTURE OF THE DNA-BINDING DOMAIN FROM THE DEAD RINGER PROTEIN
分子名称: DEAD RINGER PROTEIN
著者Iwahara, J, Clubb, R.T.
登録日1999-07-22
公開日1999-11-10
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the DNA binding domain from Dead ringer, a sequence-specific AT-rich interaction domain (ARID).
EMBO J., 18, 1999
8E66
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BU of 8e66 by Molmil
ETV6 H396Y variant bound to DNA containing the sequence GGAA
分子名称: CACODYLATE ION, Complementary 15 bp strand, GGAA-containing 15 bp DNA, ...
著者Scheu, K, Chan, A.C, Murphy, M.E, McIntosh, L.P.
登録日2022-08-22
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The functional role of histidine within the ETV6 ETS domain
to be published
4ACC
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BU of 4acc by Molmil
GSK3b in complex with inhibitor
分子名称: 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, DIMETHYL SULFOXIDE, GLYCOGEN SYNTHASE KINASE-3 BETA
著者Xue, Y, Ormo, M.
登録日2011-12-14
公開日2012-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
8DPU
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BU of 8dpu by Molmil
The crystal structure of the IL-11 signalling complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-11, ...
著者Metcalfe, R.D, Aizel, K, Griffin, M.D.W.
登録日2022-07-17
公開日2023-11-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.78 Å)
主引用文献Structures of the interleukin 11 signalling complex reveal gp130 dynamics and the inhibitory mechanism of a cytokine variant.
Nat Commun, 14, 2023

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