6WUZ
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![BU of 6wuz by Molmil](/molmil-images/mine/6wuz) | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by GB | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | McGuire, J.R, Bester, S.M, Pegan, S.D, Height, J.J. | Deposit date: | 2020-05-05 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.253 Å) | Cite: | Structural and Biochemical Insights into the Inhibition of Human Acetylcholinesterase by G-Series Nerve Agents and Subsequent Reactivation by HI-6. Chem.Res.Toxicol., 34, 2021
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2B9E
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![BU of 2b9e by Molmil](/molmil-images/mine/2b9e) | Human NSUN5 protein | Descriptor: | NOL1/NOP2/Sun domain family, member 5 isoform 2, S-ADENOSYLMETHIONINE | Authors: | Min, J.R, Wu, H, Zeng, H, Loppnau, P, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2005-10-11 | Release date: | 2005-10-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The Crystal Structure of Human NSUN5 protein in complex with
S-adenosyl-L-methionine To be Published
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6WVO
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![BU of 6wvo by Molmil](/molmil-images/mine/6wvo) | Crystal Structure of Recombinant Human Acetylcholinesterase In Complex with GD and HI-6 | Descriptor: | (1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | McGuire, J.R, Bester, S.M, Pegan, S.D, Height, J.J. | Deposit date: | 2020-05-06 | Release date: | 2021-03-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structural and Biochemical Insights into the Inhibition of Human Acetylcholinesterase by G-Series Nerve Agents and Subsequent Reactivation by HI-6. Chem.Res.Toxicol., 34, 2021
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5L03
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![BU of 5l03 by Molmil](/molmil-images/mine/5l03) | Crystal structure of 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE Synthase from BURKHOLDERIA PSEUDOMALLEI bound to L-tryptophan hydroxamate | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, N-hydroxy-L-tryptophanamide, ZINC ION | Authors: | Blain, J.M, Ghose, D, Gorman, J.L, Goshu, G.M, Ranieri, G, Zhao, L, Bode, B, Meganathan, R, Walter, R.L, Hagen, T.J, Horn, J.R. | Deposit date: | 2016-07-26 | Release date: | 2017-11-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.469 Å) | Cite: | Synthesis and Characterization of the Burkholderia pseudomallei IspF Inhibitor L-tryptophan hydroxamate To Be Published
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1K5R
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![BU of 1k5r by Molmil](/molmil-images/mine/1k5r) | YAP65 WW domain S24-Amino-Ethylsulfanyl-Acetic Acid mutant | Descriptor: | 65 KDA YES-ASSOCIATED PROTEIN, Fragment of WBP-1 | Authors: | Ferguson, N, Pires, J.R, Toepert, F, Johnson, C.M, Pan, Y.P, Volkmer-Engert, R, Schneider-Mergener, J, Daggett, V, Oschkinat, H, Fersht, A.R. | Deposit date: | 2001-10-12 | Release date: | 2001-11-02 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Using flexible loop mimetics to extend phi-value analysis to secondary structure interactions. Proc.Natl.Acad.Sci.USA, 98, 2001
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8EQL
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![BU of 8eql by Molmil](/molmil-images/mine/8eql) | |
2B3W
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![BU of 2b3w by Molmil](/molmil-images/mine/2b3w) | NMR structure of the E.coli protein YbiA, Northeast Structural Genomics target ET24. | Descriptor: | Hypothetical protein ybiA | Authors: | Ramelot, T.A, Cort, J.R, Xiao, R, Shih, L.Y, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-09-21 | Release date: | 2005-11-01 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR structure of the E.coli protein YbiA, Northeast Structural Genomics target ET24. To be Published
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8EO1
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![BU of 8eo1 by Molmil](/molmil-images/mine/8eo1) | |
8EJ6
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![BU of 8ej6 by Molmil](/molmil-images/mine/8ej6) | Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGAGGAATGGGG) | Descriptor: | DNA (5'-D(*AP*AP*TP*AP*AP*GP*AP*GP*GP*AP*AP*TP*GP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*CP*AP*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: | 2022-09-16 | 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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8EKJ
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![BU of 8ekj by Molmil](/molmil-images/mine/8ekj) | Human PU.1 ETS-Domain (165-270) Bound to d(AATAAATGGAAGTGGG) | Descriptor: | DNA (5'-D(*AP*AP*TP*AP*AP*AP*TP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*AP*TP*TP*TP*AP*T)-3'), Transcription factor PU.1 | Authors: | Terrell, J.R, Poon, G.M.K. | Deposit date: | 2022-09-21 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | DNA selection by the master transcription factor PU.1. Cell Rep, 42, 2023
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8EKU
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![BU of 8eku by Molmil](/molmil-images/mine/8eku) | Human PU.1 ETS-Domain (165-270) Bound to d(AATAAATGGAATGGGG) | Descriptor: | DNA (5'-D(*AP*AP*TP*AP*AP*AP*TP*GP*GP*AP*AP*TP*GP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*CP*AP*TP*TP*CP*CP*AP*TP*TP*TP*AP*T)-3'), Transcription factor PU.1 | Authors: | Terrell, J.R, Poon, G.M.K. | Deposit date: | 2022-09-22 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | DNA selection by the master transcription factor PU.1. Cell Rep, 42, 2023
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5KUF
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![BU of 5kuf by Molmil](/molmil-images/mine/5kuf) | GluK2EM with 2S,4R-4-methylglutamate | Descriptor: | 2S,4R-4-METHYLGLUTAMATE, Glutamate receptor ionotropic, kainate 2 | Authors: | Meyerson, J.R, Chittori, S, Merk, A, Rao, P, Han, T.H, Serpe, M, Mayer, M.L, Subramaniam, S. | Deposit date: | 2016-07-13 | Release date: | 2016-09-07 | Last modified: | 2019-11-27 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis of kainate subtype glutamate receptor desensitization. Nature, 537, 2016
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1LFM
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![BU of 1lfm by Molmil](/molmil-images/mine/1lfm) | CRYSTAL STRUCTURE OF COBALT(III)-SUBSTITUTED CYTOCHROME C (TUNA) | Descriptor: | CYTOCHROME C, PROTOPORPHYRIN IX CONTAINING CO | Authors: | Tezcan, F.A, Findley, W.M, Crane, B.R, Ross, S.A, Lyubovitsky, J.G, Gray, H.B, Winkler, J.R. | Deposit date: | 2002-04-11 | Release date: | 2002-07-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Using deeply trapped intermediates to map the cytochrome c folding landscape. Proc.Natl.Acad.Sci.USA, 99, 2002
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8EW3
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![BU of 8ew3 by Molmil](/molmil-images/mine/8ew3) | Cryo EM structure of Vibrio cholerae NQR | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, Na(+)-translocating NADH-quinone reductase subunit A, ... | Authors: | Fuller, J.R, Juarez, O. | Deposit date: | 2022-10-21 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (2.65159 Å) | Cite: | Novel cofactor binding motifs, electron transfer and ion pumping mechanisms of the respiratory complex NQR To Be Published
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6VWT
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![BU of 6vwt by Molmil](/molmil-images/mine/6vwt) | |
5I4U
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![BU of 5i4u by Molmil](/molmil-images/mine/5i4u) | The crystal structure of PI3Kdelta with compound 34 | Descriptor: | 2,4-diamino-6-{[(1S)-1-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethyl]amino}pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Somoza, J.R, Villasenor, A.G. | Deposit date: | 2016-02-12 | Release date: | 2017-02-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.372 Å) | Cite: | The Design and Synthesis of Potent, Selective and Metabolically Stable PI3K[delta] Inhibitors To be published
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8EVU
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![BU of 8evu by Molmil](/molmil-images/mine/8evu) | Cryo EM structure of Vibrio cholerae NQR | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, Na(+)-translocating NADH-quinone reductase subunit A, ... | Authors: | Fuller, J.R, Juarez, O. | Deposit date: | 2022-10-20 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (2.5804 Å) | Cite: | Novel cofactor binding motifs, electron transfer and ion pumping mechanisms of the respiratory complex NQR To Be Published
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5IDD
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![BU of 5idd by Molmil](/molmil-images/mine/5idd) | Comment on S. W. M. Tanley and J. R. Helliwell Structural dynamics of cisplatin binding to histidine in a protein Struct. Dyn. 1, 034701 (2014) regarding the refinement of 4mwk, 4mwm, 4mwn and 4oxe and the method we have adopted. | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | Authors: | Tanley, S.W.M, Helliwell, J.R. | Deposit date: | 2016-02-24 | Release date: | 2016-05-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Comment on "Structural dynamics of cisplatin binding to histidine in a protein" [Struct. Dyn. 1, 034701 (2014)]. Struct Dyn., 3, 2016
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8EW6
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![BU of 8ew6 by Molmil](/molmil-images/mine/8ew6) | Anti-human CD8 VHH complex with CD8 alpha | Descriptor: | Anti-CD8 alpha VHH, T-cell surface glycoprotein CD8 alpha chain | Authors: | Kiefer, J.R, Williams, S, Davies, C.W, Koerber, J.T, Sriraman, S.K, Yin, Y.P. | Deposit date: | 2022-10-21 | Release date: | 2022-11-23 | Last modified: | 2023-02-01 | Method: | X-RAY DIFFRACTION (1.904 Å) | Cite: | Development of an 18 F-labeled anti-human CD8 VHH for same-day immunoPET imaging. Eur J Nucl Med Mol Imaging, 50, 2023
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8EXL
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![BU of 8exl by Molmil](/molmil-images/mine/8exl) | Crystal structure of PI3K-alpha in complex with taselisib | Descriptor: | 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | Deposit date: | 2022-10-25 | Release date: | 2022-11-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.989 Å) | Cite: | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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8EXO
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![BU of 8exo by Molmil](/molmil-images/mine/8exo) | Crystal structure of PI3K-alpha in complex with compound 19 | Descriptor: | 1-{(4S,11aM)-2-[(4R)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-prolinamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | Deposit date: | 2022-10-25 | Release date: | 2022-11-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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8EXU
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![BU of 8exu by Molmil](/molmil-images/mine/8exu) | Crystal structure of PI3K-alpha in complex with compound 30 | Descriptor: | (2S)-2-cyclopropyl-2-({(4S,11aM)-2-[(4S)-2-oxo-4-(trifluoromethyl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}amino)acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | Deposit date: | 2022-10-25 | Release date: | 2022-11-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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1L5J
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![BU of 1l5j by Molmil](/molmil-images/mine/1l5j) | CRYSTAL STRUCTURE OF E. COLI ACONITASE B. | Descriptor: | ACONITATE ION, Aconitate hydratase 2, FE3-S4 CLUSTER | Authors: | Williams, C.H, Stillman, T.J, Barynin, V.V, Sedelnikova, S.E, Tang, Y, Green, J, Guest, J.R, Artymiuk, P.J. | Deposit date: | 2002-03-07 | Release date: | 2002-06-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | E. coli aconitase B structure reveals a HEAT-like domain with implications for protein-protein recognition. Nat.Struct.Biol., 9, 2002
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8EXV
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![BU of 8exv by Molmil](/molmil-images/mine/8exv) | Crystal structure of PI3K-alpha in complex with compound 32 | Descriptor: | N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | Deposit date: | 2022-10-25 | Release date: | 2022-11-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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8EHX
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![BU of 8ehx by Molmil](/molmil-images/mine/8ehx) | cryo-EM structure of TMEM63B in LMNG | Descriptor: | CSC1-like protein 2 | Authors: | Zheng, W, Fu, T.M, Holt, J.R. | Deposit date: | 2022-09-14 | Release date: | 2023-08-23 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | TMEM63 proteins function as monomeric high-threshold mechanosensitive ion channels. Neuron, 111, 2023
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