3FSS
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![BU of 3fss by Molmil](/molmil-images/mine/3fss) | Structure of the tandem PH domains of Rtt106 | Descriptor: | GLYCEROL, Histone chaperone RTT106, MALONIC ACID | Authors: | Su, D, Thompson, J.R, Mer, G. | Deposit date: | 2009-01-11 | Release date: | 2009-12-22 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.432 Å) | Cite: | Structural basis for recognition of H3K56-acetylated histone H3-H4 by the chaperone Rtt106. Nature, 483, 2012
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8UVL
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![BU of 8uvl by Molmil](/molmil-images/mine/8uvl) | Crystal structure of selective IRE1a inhibitor 29 at the enzyme active site | Descriptor: | 1,2-ETHANEDIOL, 1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Kiefer, J.R, Wallweber, H.A, Braun, M.-G, Wei, W, Jiang, F, Wang, W, Rudolph, J, Ashkenazi, A. | Deposit date: | 2023-11-03 | Release date: | 2024-05-29 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Discovery of Potent, Selective, and Orally Available IRE1 alpha Inhibitors Demonstrating Comparable PD Modulation to IRE1 Knockdown in a Multiple Myeloma Model. J.Med.Chem., 67, 2024
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3E3H
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![BU of 3e3h by Molmil](/molmil-images/mine/3e3h) | Crystal structure of the OP hydrolase mutant from Brevundimonas diminuta | Descriptor: | COBALT (II) ION, DIETHYL 4-METHYLBENZYLPHOSPHONATE, Parathion hydrolase | Authors: | Li, P, Reeves, T.E, Grimsley, J.K, Wild, J.R. | Deposit date: | 2008-08-07 | Release date: | 2008-10-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Balancing the stability and the catalytic specificities of OP hydrolases with enhanced V-agent activities. Protein Eng.Des.Sel., 21, 2008
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5FJB
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![BU of 5fjb by Molmil](/molmil-images/mine/5fjb) | Cyclophilin A Stabilize HIV-1 Capsid through a Novel Non- canonical Binding Site | Descriptor: | GAG POLYPROTEIN, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Liu, C, Perilla, J.R, Ning, J, Lu, M, Hou, G, Ramalhu, R, Bedwell, G.J, Ahn, J, Shi, J, Gronenborn, A.M, Prevelige Jr, P.E, Rousso, I, Aiken, C, Polenova, T, Schulten, K, Zhang, P. | Deposit date: | 2015-10-07 | Release date: | 2016-03-16 | Last modified: | 2017-08-23 | Method: | ELECTRON MICROSCOPY (9 Å) | Cite: | Cyclophilin a Stabilizes the HIV-1 Capsid Through a Novel Non-Canonical Binding Site. Nat.Commun., 7, 2016
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8UTG
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![BU of 8utg by Molmil](/molmil-images/mine/8utg) | An RNA G-Quadruplex from the NS5 gene in the West Nile Virus Genome | Descriptor: | AMMONIUM ION, POTASSIUM ION, RNA (5'-R(*UP*AP*UP*GP*GP*AP*AP*GP*AP*GP*GP*CP*GP*GP*UP*UP*GP*GP*UP*AP*U)-3') | Authors: | Terrell, J.R, Le, T.T, Wilson, W.D, Siemer, J.L. | Deposit date: | 2023-10-31 | Release date: | 2024-06-19 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structure of an RNA G-quadruplex from the West Nile virus genome. Nat Commun, 15, 2024
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5FET
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![BU of 5fet by Molmil](/molmil-images/mine/5fet) | Crystal Structure of PVX_084705 in presence of Compound 2 | Descriptor: | 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine, cGMP-dependent protein kinase, putative | Authors: | Wernimont, A.K, Tempel, W, Walker, J.R, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-17 | Release date: | 2016-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Crystal Structure of PVX_084705 in presence of Compound 2 To be published
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8TYN
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3G1N
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![BU of 3g1n by Molmil](/molmil-images/mine/3g1n) | Catalytic domain of the human E3 ubiquitin-protein ligase HUWE1 | Descriptor: | E3 ubiquitin-protein ligase HUWE1, SODIUM ION | Authors: | Walker, J.R, Qiu, L, Li, Y, Davis, T, Tempel, W, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Botchkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-01-30 | Release date: | 2009-02-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Hect Domain of Human HUWE1/MULE To be Published
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5DVO
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![BU of 5dvo by Molmil](/molmil-images/mine/5dvo) | Fc K392D/K409D homodimer | Descriptor: | Ig gamma-1 chain C region, SULFATE ION | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | Deposit date: | 2015-09-21 | Release date: | 2016-03-30 | Last modified: | 2016-04-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
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3FY3
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![BU of 3fy3 by Molmil](/molmil-images/mine/3fy3) | Crystal structure of truncated hemolysin A from P. mirabilis | Descriptor: | Hemolysin | Authors: | Weaver, T.M, Thompson, J.R, Bailey, L.J, Wawrzyn, G.T, Hocking, J.M, Howard, D.R. | Deposit date: | 2009-01-21 | Release date: | 2009-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and functional studies of truncated hemolysin A from Proteus mirabilis. J.Biol.Chem., 284, 2009
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3GJ0
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![BU of 3gj0 by Molmil](/molmil-images/mine/3gj0) | Crystal structure of human RanGDP | Descriptor: | GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Partridge, J.R, Schwartz, T.U. | Deposit date: | 2009-03-07 | Release date: | 2009-08-04 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystallographic and Biochemical Analysis of the Ran-binding Zinc Finger Domain. J.Mol.Biol., 391, 2009
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3GJ6
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3FXX
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![BU of 3fxx by Molmil](/molmil-images/mine/3fxx) | Human EphA3 Kinase and Juxtamembrane Region Bound to Substrate KQWDNYE[pTyr]IW | Descriptor: | Ephrin type-A receptor 3, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Davis, T, Walker, J.R, Mackenzie, F, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-01-21 | Release date: | 2009-02-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural recognition of an optimized substrate for the ephrin family of receptor tyrosine kinases. Febs J., 276, 2009
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3GJ1
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![BU of 3gj1 by Molmil](/molmil-images/mine/3gj1) | Non photoactivated state of PA-GFP | Descriptor: | CHLORIDE ION, Green fluorescent protein, SULFATE ION | Authors: | Henderson, J.N, Gepshtein, R, Heenan, J.R, Kallio, K, Huppert, D, Remington, S.J. | Deposit date: | 2009-03-07 | Release date: | 2009-03-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and mechanism of the photoactivatable green fluorescent protein. J.Am.Chem.Soc., 131, 2009
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5EM4
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![BU of 5em4 by Molmil](/molmil-images/mine/5em4) | Structure of CYP2B4 F244W in a ligand free conformation | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Shah, M.B, Stout, C.D, Halpert, J.R. | Deposit date: | 2015-11-05 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations. Biochemistry, 55, 2016
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5EUN
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![BU of 5eun by Molmil](/molmil-images/mine/5eun) | The Crystal Structure of Human Kynurenine Aminotransferase II, PLP-bound form, at 1.83 A | Descriptor: | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | Authors: | Nematollahi, A, Sun, G, Kwan, A, Jeffries, C.M, Harrop, S.J, Hanrahan, J.R, Nadvi, N.A, Church, W.B. | Deposit date: | 2015-11-18 | Release date: | 2015-12-16 | Last modified: | 2016-08-10 | Method: | X-RAY DIFFRACTION (1.825 Å) | Cite: | Structure of the PLP-Form of the Human Kynurenine Aminotransferase II in a Novel Spacegroup at 1.83 angstrom Resolution. Int J Mol Sci, 17, 2016
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3DB3
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![BU of 3db3 by Molmil](/molmil-images/mine/3db3) | Crystal structure of the tandem tudor domains of the E3 ubiquitin-protein ligase UHRF1 in complex with trimethylated histone H3-K9 peptide | Descriptor: | E3 ubiquitin-protein ligase UHRF1, Trimethylated histone H3-K9 peptide | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Dong, A, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-05-30 | Release date: | 2008-09-16 | Last modified: | 2012-04-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Recognition of multivalent histone states associated with heterochromatin by UHRF1 protein. J.Biol.Chem., 286, 2011
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5EYT
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![BU of 5eyt by Molmil](/molmil-images/mine/5eyt) | Crystal Structure of Adenylosuccinate Lyase from Schistosoma mansoni in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase | Authors: | Romanello, L, Torini, J.R, Bird, L, Nettleship, J, Owens, R, Reddivari, Y, Brandao-Neto, J, Pereira, H.M. | Deposit date: | 2015-11-25 | Release date: | 2016-11-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3649 Å) | Cite: | Structural and kinetic analysis of Schistosoma mansoni Adenylosuccinate Lyase (SmADSL). Mol. Biochem. Parasitol., 214, 2017
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8XKL
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![BU of 8xkl by Molmil](/molmil-images/mine/8xkl) | Structure of ACPII-CCPII from cryptophyte algae | Descriptor: | (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, ... | Authors: | Li, X.Y, Mao, Z.Y, Shen, J.R, Han, G.Y. | Deposit date: | 2023-12-23 | Release date: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Structure and distinct supramolecular organization of a PSII-ACPII dimer from a cryptophyte alga Chroomonas placoidea. Nat Commun, 15, 2024
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3GCV
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![BU of 3gcv by Molmil](/molmil-images/mine/3gcv) | Human P38 MAP Kinase in Complex with RL62 | Descriptor: | 1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2009-02-22 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors. J.Am.Chem.Soc., 131, 2009
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3GCX
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![BU of 3gcx by Molmil](/molmil-images/mine/3gcx) | PCSK9:EGFA (pH 7.4) | Descriptor: | CALCIUM ION, Low-density lipoprotein receptor, Proprotein convertase subtilisin/kexin type 9 | Authors: | McNutt, M.C, Kwon, H.J, Chen, C, Chen, J.R, Horton, J.D, Lagace, T.A. | Deposit date: | 2009-02-22 | Release date: | 2009-03-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Antagonism of Secreted PCSK9 Increases Low Density Lipoprotein Receptor Expression in HepG2 Cells. J.Biol.Chem., 284, 2009
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3GJ3
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![BU of 3gj3 by Molmil](/molmil-images/mine/3gj3) | |
3GF5
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![BU of 3gf5 by Molmil](/molmil-images/mine/3gf5) | Crystal structure of the P21 R1-R7 N-terminal domain of murine MVP | Descriptor: | GLYCEROL, Major vault protein | Authors: | Querol-Audi, J, Casanas, A, Luque, D, Caston, J.R, Fita, I, Verdaguer, N. | Deposit date: | 2009-02-26 | Release date: | 2009-11-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The mechanism of vault opening from the high resolution structure of the N-terminal repeats of MVP Embo J., 28, 2009
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3FBM
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![BU of 3fbm by Molmil](/molmil-images/mine/3fbm) | D431N Mutant VP2 Protein of Infectious Bursal Disease Virus; Derived T=1 Particles | Descriptor: | CALCIUM ION, Polyprotein | Authors: | Irigoyen, N, Garriga, D, Navarro, A, Verdaguer, N, Rodriguez, J.F, Caston, J.R. | Deposit date: | 2008-11-19 | Release date: | 2009-01-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Autoproteolytic Activity Derived from the Infectious Bursal Disease Virus Capsid Protein J.Biol.Chem., 284, 2009
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3GJ8
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![BU of 3gj8 by Molmil](/molmil-images/mine/3gj8) | |