4ACH
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![BU of 4ach by Molmil](/molmil-images/mine/4ach) | GSK3b in complex with inhibitor | Descriptor: | 3-AMINO-N-(3-METHOXYPROPYL)-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}PYRAZINE-2-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA | Authors: | Xue, Y, Ormo, M. | Deposit date: | 2011-12-15 | Release date: | 2012-05-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 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
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2JUP
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![BU of 2jup by Molmil](/molmil-images/mine/2jup) | FBP28WW2 domain in complex with the PPLIPPPP peptide | Descriptor: | Formin-1, Transcription elongation regulator 1 | Authors: | Ramirez-Espain, X, Ruiz, L, Martin-Malpartida, P, Oschkinat, H, Macias, M.J. | Deposit date: | 2007-09-01 | Release date: | 2007-11-06 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural Characterization of a New Binding Motif and a Novel Binding Mode in Group 2 WW Domains J.Mol.Biol., 373, 2007
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8DSD
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![BU of 8dsd by Molmil](/molmil-images/mine/8dsd) | Human NAMPT in complex with substrate NAM and small molecule activator NP-A1-S | Descriptor: | (3S)-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ... | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | Deposit date: | 2022-07-22 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.429 Å) | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD. Biochemistry, 62, 2023
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8DSH
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![BU of 8dsh by Molmil](/molmil-images/mine/8dsh) | Human NAMPT in complex with quercitrin and AMPcP | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, Nicotinamide phosphoribosyltransferase, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | Deposit date: | 2022-07-22 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD. Biochemistry, 62, 2023
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8DTJ
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![BU of 8dtj by Molmil](/molmil-images/mine/8dtj) | Human NAMPT in complex with small molecule activator ZN-43-S | Descriptor: | (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, ... | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | Deposit date: | 2022-07-25 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.118 Å) | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD. Biochemistry, 62, 2023
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8DSI
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![BU of 8dsi by Molmil](/molmil-images/mine/8dsi) | Human NAMPT in complex with substrate NAM | Descriptor: | CHLORIDE ION, GLYCEROL, NICOTINAMIDE, ... | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | Deposit date: | 2022-07-22 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD. Biochemistry, 62, 2023
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8DSC
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![BU of 8dsc by Molmil](/molmil-images/mine/8dsc) | Human NAMPT in complex with substrate NAM and small molecule activator NP-A1-R | Descriptor: | (3R)-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ... | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | Deposit date: | 2022-07-22 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.321 Å) | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD. Biochemistry, 62, 2023
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8DSE
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![BU of 8dse by Molmil](/molmil-images/mine/8dse) | Human NAMPT in complex with substrate NAM and activator quercitrin | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, CHLORIDE ION, NICOTINAMIDE, ... | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | Deposit date: | 2022-07-22 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.428 Å) | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD. Biochemistry, 62, 2023
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4ABN
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![BU of 4abn by Molmil](/molmil-images/mine/4abn) | Crystal structure of full length mouse Strap (TTC5) | Descriptor: | 1,2-ETHANEDIOL, TETRATRICOPEPTIDE REPEAT PROTEIN 5 | Authors: | 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. | Deposit date: | 2011-12-09 | Release date: | 2012-01-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The P53 Cofactor Strap Exhibits an Unexpected Tpr Motif and Oligonucleotide-Binding (Ob)-Fold Structure. Proc.Natl.Acad.Sci.USA, 109, 2012
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8DNH
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![BU of 8dnh by Molmil](/molmil-images/mine/8dnh) | Cryo-EM structure of nonmuscle beta-actin | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | Authors: | Arora, A.S, Huang, H.L, Heissler, S.M, Chinthalapudi, K. | Deposit date: | 2022-07-11 | Release date: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Structural insights into actin isoforms. Elife, 12, 2023
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7E29
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![BU of 7e29 by Molmil](/molmil-images/mine/7e29) | Crystal Structure of Saccharomyces cerevisiae Ioc4 PWWP domain fused with MBP | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,ISWI one complex protein 4, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Li, J, Smolle, M, Liang, H, Liu, Y. | Deposit date: | 2021-02-05 | Release date: | 2022-02-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | H3K36 methylation and DNA-binding both promote Ioc4 recruitment and Isw1b remodeler function. Nucleic Acids Res., 50, 2022
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1CKS
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![BU of 1cks by Molmil](/molmil-images/mine/1cks) | |
8E4H
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![BU of 8e4h by Molmil](/molmil-images/mine/8e4h) | Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGAGGAAGTGGG) | Descriptor: | 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 | Authors: | Terrell, J.R, Poon, G.M.K. | Deposit date: | 2022-08-18 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | DNA selection by the master transcription factor PU.1. Cell Rep, 42, 2023
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8E3K
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![BU of 8e3k by Molmil](/molmil-images/mine/8e3k) | Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAAGTGGG) | Descriptor: | 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, ... | Authors: | Terrell, J.R, Poon, G.M.K. | Deposit date: | 2022-08-17 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | DNA selection by the master transcription factor PU.1. Cell Rep, 42, 2023
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8E5Y
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![BU of 8e5y by Molmil](/molmil-images/mine/8e5y) | |
8EBH
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![BU of 8ebh by Molmil](/molmil-images/mine/8ebh) | Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAATGGGG) | Descriptor: | 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 | Authors: | Terrell, J.R, Poon, G.M.K. | Deposit date: | 2022-08-31 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | DNA selection by the master transcription factor PU.1. Cell Rep, 42, 2023
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1CJT
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![BU of 1cjt by Molmil](/molmil-images/mine/1cjt) | COMPLEX OF GS-ALPHA WITH THE CATALYTIC DOMAINS OF MAMMALIAN ADENYLYL CYCLASE: COMPLEX WITH BETA-L-2',3'-DIDEOXYATP, MN, AND MG | Descriptor: | 2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ... | Authors: | Tesmer, J.J.G, Sprang, S.R. | Deposit date: | 1999-04-16 | Release date: | 1999-08-31 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Two-metal-Ion catalysis in adenylyl cyclase. Science, 285, 1999
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4ACG
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![BU of 4acg by Molmil](/molmil-images/mine/4acg) | GSK3b in complex with inhibitor | Descriptor: | 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 | Authors: | Xue, Y, Ormo, M. | Deposit date: | 2011-12-15 | Release date: | 2012-05-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 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
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8DSM
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![BU of 8dsm by Molmil](/molmil-images/mine/8dsm) | Human NAMPT in complex with inhibitor ZN-4-3 | Descriptor: | (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, ... | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | Deposit date: | 2022-07-22 | Release date: | 2023-08-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | A structural mechanism for positive allosteric modulation of nicotinamide phosphoribosyltransferase to elevate cellular NAD+ To Be Published
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8EDG
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![BU of 8edg by Molmil](/molmil-images/mine/8edg) | |
8E67
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![BU of 8e67 by Molmil](/molmil-images/mine/8e67) | |
1C20
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![BU of 1c20 by Molmil](/molmil-images/mine/1c20) | |
8E66
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![BU of 8e66 by Molmil](/molmil-images/mine/8e66) | ETV6 H396Y variant bound to DNA containing the sequence GGAA | Descriptor: | CACODYLATE ION, Complementary 15 bp strand, GGAA-containing 15 bp DNA, ... | Authors: | Scheu, K, Chan, A.C, Murphy, M.E, McIntosh, L.P. | Deposit date: | 2022-08-22 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The functional role of histidine within the ETV6 ETS domain to be published
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4ACC
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![BU of 4acc by Molmil](/molmil-images/mine/4acc) | GSK3b in complex with inhibitor | Descriptor: | 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, DIMETHYL SULFOXIDE, GLYCOGEN SYNTHASE KINASE-3 BETA | Authors: | Xue, Y, Ormo, M. | Deposit date: | 2011-12-14 | Release date: | 2012-05-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | 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
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8DPU
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![BU of 8dpu by Molmil](/molmil-images/mine/8dpu) | The crystal structure of the IL-11 signalling complex | Descriptor: | 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, ... | Authors: | Metcalfe, R.D, Aizel, K, Griffin, M.D.W. | Deposit date: | 2022-07-17 | Release date: | 2023-11-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.78 Å) | Cite: | 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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