5KY4
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![BU of 5ky4 by Molmil](/molmil-images/mine/5ky4) | mouse POFUT1 in complex with mouse Notch1 EGF26 and GDP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GDP-fucose protein O-fucosyltransferase 1, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Li, Z, Rini, J.M. | Deposit date: | 2016-07-21 | Release date: | 2017-05-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.472 Å) | Cite: | Recognition of EGF-like domains by the Notch-modifying O-fucosyltransferase POFUT1. Nat. Chem. Biol., 13, 2017
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1HTX
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![BU of 1htx by Molmil](/molmil-images/mine/1htx) | SOLUTION STRUCTURE OF THE MAIN ALPHA-AMYLASE INHIBITOR FROM AMARANTH SEEDS | Descriptor: | ALPHA-AMYLASE INHIBITOR AAI | Authors: | Martins, J.C, Enassar, M, Willem, R, Wieruzeski, J.M, Lippens, G, Wodak, S.J. | Deposit date: | 2001-01-02 | Release date: | 2001-07-18 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure of the main alpha-amylase inhibitor from amaranth seeds. Eur.J.Biochem., 268, 2001
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5L0T
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![BU of 5l0t by Molmil](/molmil-images/mine/5l0t) | human POGLUT1 in complex with EGF(+) and UDP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | Authors: | Li, Z, Rini, J.M. | Deposit date: | 2016-07-28 | Release date: | 2017-08-09 | Last modified: | 2021-03-24 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Structural basis of Notch O-glucosylation and O-xylosylation by mammalian protein-O-glucosyltransferase 1 (POGLUT1). Nat Commun, 8, 2017
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5KU0
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![BU of 5ku0 by Molmil](/molmil-images/mine/5ku0) | expanded poliovirus in complex with VHH 17B | Descriptor: | VHH 17B, VP1, VP2, ... | Authors: | Strauss, M, Schotte, L, Filman, D.J, Hogle, J.M. | Deposit date: | 2016-07-12 | Release date: | 2016-11-02 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-electron Microscopy Structures of Expanded Poliovirus with VHHs Sample the Conformational Repertoire of the Expanded State. J. Virol., 91, 2017
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5KVL
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![BU of 5kvl by Molmil](/molmil-images/mine/5kvl) | Humanized 10G4 anti-leukotriene C4 antibody Fab fragment in complex with leukotriene C4 | Descriptor: | (5~{S},6~{R},7~{E},9~{E},11~{Z},14~{Z})-6-[(2~{R})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-( 2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Huxford, T, King, A, Fleming, J.K, Wojciak, J.M. | Deposit date: | 2016-07-14 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Humanized 10G4 anti-leukotriene C4 antibody Fab fragment in complex with leukotriene C4 To Be Published
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5KY2
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![BU of 5ky2 by Molmil](/molmil-images/mine/5ky2) | |
6CY0
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![BU of 6cy0 by Molmil](/molmil-images/mine/6cy0) | RNA octamer containing 2'-F, 4'-Cbeta-OMe U. | Descriptor: | RNA (5'-R(*(CBV)P*GP*AP*AP*(UFB)P*UP*CP*G)-3') | Authors: | Harp, J.M, Egli, M. | Deposit date: | 2018-04-04 | Release date: | 2018-08-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.398 Å) | Cite: | Structural basis for the synergy of 4'- and 2'-modifications on siRNA nuclease resistance, thermal stability and RNAi activity. Nucleic Acids Res., 46, 2018
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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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5L0U
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![BU of 5l0u by Molmil](/molmil-images/mine/5l0u) | human POGLUT1 in complex with EGF(+) and UDP-phosphono-glucose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, EGF(+), ... | Authors: | Li, Z, Rini, J.M. | Deposit date: | 2016-07-28 | Release date: | 2017-08-09 | Last modified: | 2021-03-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of Notch O-glucosylation and O-xylosylation by mammalian protein-O-glucosyltransferase 1 (POGLUT1). Nat Commun, 8, 2017
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6CQH
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![BU of 6cqh by Molmil](/molmil-images/mine/6cqh) | Crystal Structure of the Human vaccinia-related kinase bound to a N-propynyl-N-ethyl-dihydropteridine inhibitor | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-ethyl-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, ACETATE ION, CHLORIDE ION, ... | Authors: | dos Reis, C.V, de Souza, G.P, Counago, R.M, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-15 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal Structure of the Human vaccinia-related kinase bound to a N-propynyl-N-ethyl-dihydropteridine inhibitor To Be Published
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5KXQ
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![BU of 5kxq by Molmil](/molmil-images/mine/5kxq) | mouse POFUT1 in complex with GDP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GDP-fucose protein O-fucosyltransferase 1, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Li, Z, Rini, J.M. | Deposit date: | 2016-07-20 | Release date: | 2017-05-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Recognition of EGF-like domains by the Notch-modifying O-fucosyltransferase POFUT1. Nat. Chem. Biol., 13, 2017
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5L0V
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![BU of 5l0v by Molmil](/molmil-images/mine/5l0v) | human POGLUT1 in complex with 2F-glucose modified EGF(+) and UDP | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-2-fluoro-beta-D-glucopyranose, ... | Authors: | Li, Z, Rini, J.M. | Deposit date: | 2016-07-28 | Release date: | 2017-08-09 | Last modified: | 2021-03-24 | Method: | X-RAY DIFFRACTION (1.305 Å) | Cite: | Structural basis of Notch O-glucosylation and O-xylosylation by mammalian protein-O-glucosyltransferase 1 (POGLUT1). Nat Commun, 8, 2017
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5L1E
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![BU of 5l1e by Molmil](/molmil-images/mine/5l1e) | AMPA subtype ionotropic glutamate receptor GluA2 in complex with noncompetitive inhibitor CP465022 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(2-chlorophenyl)-2-(2-{6-[(diethylamino)methyl]pyridin-2-yl}ethyl)-6-fluoroquinazolin-4(3H)-one, Glutamate receptor 2 | Authors: | Yelshanskaya, M.V, Singh, A.K, Sampson, J.M, Sobolevsky, A.I. | Deposit date: | 2016-07-29 | Release date: | 2016-10-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.37 Å) | Cite: | Structural Bases of Noncompetitive Inhibition of AMPA-Subtype Ionotropic Glutamate Receptors by Antiepileptic Drugs. Neuron, 91, 2016
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5L1F
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![BU of 5l1f by Molmil](/molmil-images/mine/5l1f) | AMPA subtype ionotropic glutamate receptor GluA2 in complex with noncompetitive inhibitor Perampanel | Descriptor: | 2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2 | Authors: | Yelshanskaya, M.V, Singh, A.K, Sampson, J.M, Sobolevsky, A.I. | Deposit date: | 2016-07-29 | Release date: | 2016-10-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Structural Bases of Noncompetitive Inhibition of AMPA-Subtype Ionotropic Glutamate Receptors by Antiepileptic Drugs. Neuron, 91, 2016
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6CI2
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![BU of 6ci2 by Molmil](/molmil-images/mine/6ci2) | Crystal structure of the formyltransferase PseJ from Anoxybacillus kamchatkensis | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SULFATE ION, formyltransferase PseJ | Authors: | Reimer, J.M, Jiang, J, Harb, I, Schmeing, T.M. | Deposit date: | 2018-02-23 | Release date: | 2018-10-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural Insight into a Novel Formyltransferase and Evolution to a Nonribosomal Peptide Synthetase Tailoring Domain. ACS Chem. Biol., 13, 2018
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6CPY
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![BU of 6cpy by Molmil](/molmil-images/mine/6cpy) | Structure of apo GRMZM2G135359 pseudokinase | Descriptor: | GRMZM2G135359 pseudokinase | Authors: | Aquino, B, Counago, R.M, Godoi, P.H.C, Massirer, K.B, Elkins, J.M, Arruda, P, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-14 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of apo GRMZM2G135359 pseudokinase To be Published
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6CSW
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![BU of 6csw by Molmil](/molmil-images/mine/6csw) | Crystal Structure of the Human vaccinia-related kinase bound to a N-methyl-N-propyl-dihydropteridine inhibitor | Descriptor: | (7R)-5-butyl-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-7,8-dihydropteridin-6(5H)-one, ACETATE ION, CHLORIDE ION, ... | Authors: | dos Reis, C.V, de Souza, G.P, Counago, R.M, Chiodi, C.G, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-21 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal Structure of the Human vaccinia-related kinase bound to a N-methyl-N-propyl-dihydropteridine inhibitor To Be Published
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6CMM
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![BU of 6cmm by Molmil](/molmil-images/mine/6cmm) | Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine inhibitor | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | dos Reis, C.V, de Souza, G.P, Counago, R.M, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-05 | Release date: | 2018-03-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine inhibitor To Be Published
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6CWU
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![BU of 6cwu by Molmil](/molmil-images/mine/6cwu) | Protein Tyrosine Phosphatase 1B F135Y mutant | Descriptor: | MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Hjortness, M, Zwart, P, Sankaran, B, Fox, J.M. | Deposit date: | 2018-03-31 | Release date: | 2018-10-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Evolutionarily Conserved Allosteric Communication in Protein Tyrosine Phosphatases. Biochemistry, 57, 2018
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6CY4
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![BU of 6cy4 by Molmil](/molmil-images/mine/6cy4) | RNA octamer containing 2'-OMe, 4'- Cbeta-OMe U. | Descriptor: | RNA (5'-R(*(CBV)P*GP*AP*AP*(UOB)P*UP*CP*G)-3') | Authors: | Harp, J.M, Egli, M. | Deposit date: | 2018-04-04 | Release date: | 2018-08-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | Structural basis for the synergy of 4'- and 2'-modifications on siRNA nuclease resistance, thermal stability and RNAi activity. Nucleic Acids Res., 46, 2018
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6CCX
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![BU of 6ccx by Molmil](/molmil-images/mine/6ccx) | NMR data-driven model of GTPase KRas-GMPPNP:Cmpd2 complex tethered to a nanodisc | Descriptor: | (2R,4S)-4-[(5-bromo-1H-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, ... | Authors: | Fang, Z, Marshall, C.B, Nishikawa, T, Gossert, A.D, Jansen, J.M, Jahnke, W, Ikura, M. | Deposit date: | 2018-02-07 | Release date: | 2018-09-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Inhibition of K-RAS4B by a Unique Mechanism of Action: Stabilizing Membrane-Dependent Occlusion of the Effector-Binding Site. Cell Chem Biol, 25, 2018
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6CCH
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![BU of 6cch by Molmil](/molmil-images/mine/6cch) | NMR data-driven model of GTPase KRas-GMPPNP tethered to a nanodisc (E3 state) | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ... | Authors: | Fang, Z, Marshall, C.B, Nishikawa, T, Gossert, A.D, Jansen, J.M, Jahnke, W, Ikura, M. | Deposit date: | 2018-02-07 | Release date: | 2018-08-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Inhibition of K-RAS4B by a Unique Mechanism of Action: Stabilizing Membrane-Dependent Occlusion of the Effector-Binding Site. Cell Chem Biol, 25, 2018
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6D91
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![BU of 6d91 by Molmil](/molmil-images/mine/6d91) | Crystal structure of the Deinococcus radiodurans Nramp/MntH divalent transition metal transporter in the outward-open, apo conformation | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Divalent metal cation transporter MntH | Authors: | Bozzi, A.T, Zimanyi, C.M, Nicoludis, J.M, Gaudet, R. | Deposit date: | 2018-04-27 | Release date: | 2019-02-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.356 Å) | Cite: | Structures in multiple conformations reveal distinct transition metal and proton pathways in an Nramp transporter. Elife, 8, 2019
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6DD4
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![BU of 6dd4 by Molmil](/molmil-images/mine/6dd4) | Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropyl-dihydropteridine inhibitor | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-dipropyl-7,8-dihydropteridin-6(5H)-one, ACETATE ION, CHLORIDE ION, ... | Authors: | dos Reis, C.V, Santiago, A.S, de Souza, G.P, Counago, R.M, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-05-09 | Release date: | 2018-05-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropyl-dihydropteridine inhibitor To Be Published
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3L25
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![BU of 3l25 by Molmil](/molmil-images/mine/3l25) | Crystal structure of Zaire Ebola VP35 interferon inhibitory domain bound to 8 bp dsRNA | Descriptor: | CHLORIDE ION, FORMIC ACID, GLYCEROL, ... | Authors: | Leung, D.W, Prins, K.C, Borek, D.M, Farahbakhsh, M, Tufariello, J.M, Ramanan, P, Nix, J.C, Helgeson, L.A, Otwinowski, Z, Honzatko, R.B, Basler, C.F, Amarasinghe, G.K. | Deposit date: | 2009-12-14 | Release date: | 2010-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for dsRNA recognition and interferon antagonism by Ebola VP35. Nat.Struct.Mol.Biol., 17, 2010
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