5JUZ
 
 | | Crystal structure of human FPPS in complex with an allosteric inhibitor CL-06-057 | | Descriptor: | CHLORIDE ION, Farnesyl pyrophosphate synthase, [(R)-(2,3-dihydro-1-benzofuran-5-yl){[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl]phosphonic acid | | Authors: | Park, J, Magder, A, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2016-05-10 | | Release date: | 2017-03-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
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5JV2
 | | Crystal structure of human FPPS in complex with an allosteric inhibitor MIT-01-055 | | Descriptor: | CHLORIDE ION, Farnesyl pyrophosphate synthase, PHOSPHATE ION, ... | | Authors: | Park, J, Magder, A, Tsakos, M, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2016-05-10 | | Release date: | 2017-03-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
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7ZW4
 | | Crystal structure of Talin R7R8 domains with Caskin-2 LD-peptide | | Descriptor: | Caskin-2, Talin-1 | | Authors: | Celie, P.H.N, Joosten, R.P, Sonnenberg, A, Perrakis, A. | | Deposit date: | 2022-05-18 | | Release date: | 2023-05-31 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Caskin2 is a novel talin- and Abi1-binding protein that promotes cell motility.
J.Cell.Sci., 137, 2024
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5L88
 | | AFAMIN ANTIBODY FRAGMENT, N14 FAB, L1- GLYCOSILATED, CRYSTAL FORM I, non-parsimonious model | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Anti-afamin antibody N14, Fab fragment, ... | | Authors: | Rupp, B, Naschberger, A. | | Deposit date: | 2016-06-07 | | Release date: | 2016-08-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | The N14 anti-afamin antibody Fab: a rare VL1 CDR glycosylation, crystallographic re-sequencing, molecular plasticity and conservative versus enthusiastic modelling.
Acta Crystallogr D Struct Biol, 72, 2016
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5KSX
 | | Crystal structure of human FPPS in complex with an allosteric inhibitor AM-02-072 | | Descriptor: | Farnesyl pyrophosphate synthase, PHOSPHATE ION, [[(2~{S})-2-[[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoyl]amino]phosphonic acid | | Authors: | Park, J, Matralis, A, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2016-07-10 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
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8B8Y
 | | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7e) | | Descriptor: | 4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | | Authors: | Holton, S.J, Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | | Deposit date: | 2022-10-05 | | Release date: | 2022-12-28 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
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6OMU
 | | Structure of human Bruton's Tyrosine Kinase in complex with Evobrutinib | | Descriptor: | 1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, Tyrosine-protein kinase BTK | | Authors: | Mochalkin, I, Gardberg, A.S. | | Deposit date: | 2019-04-19 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Discovery of Evobrutinib: An Oral, Potent, and Highly Selective, Covalent Bruton's Tyrosine Kinase (BTK) Inhibitor for the Treatment of Immunological Diseases.
J.Med.Chem., 62, 2019
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6JT3
 | | Crystal Structure of BACE1 in complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide | | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Tadano, G, Komano, K, Yoshida, S, Suzuki, S, Nakahara, K, Fuchino, K, Fujimoto, K, Matsuoka, E, Yamamoto, T, Asada, N, Ito, H, Sakaguchi, G, Kanegawa, N, Kido, Y, Ando, S, Fukushima, T, Teisman, A, Urmaliya, V, Dhuyvetter, D, Borghys, H, Bergh, A.V.D, Austin, N, Gijsen, H.J.M, Yamano, Y, Iso, Y, Kusakabe, K.I. | | Deposit date: | 2019-04-08 | | Release date: | 2019-10-30 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of an Extremely Potent Thiazine-Based beta-Secretase Inhibitor with Reduced Cardiovascular and Liver Toxicity at a Low Projected Human Dose.
J.Med.Chem., 62, 2019
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6JT4
 | | Crystal Structure of BACE1 in complex with N-{3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide | | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | Authors: | Anan, K, Iso, Y, Oguma, T, Nakahara, K, Suzuki, S, Yamamoto, T, Matsuoka, E, Ito, H, Sakaguchi, G, Ando, S, Morimoto, K, Kanegawa, N, Kido, Y, Kawachi, T, Fukushima, T, Teisman, A, Urmaliya, V, Dhuyvetter, D, Borghys, H, Austin, N, Bergh, A.V.D, Verboven, P, Bischoff, F, Gijsen, H.J.M, Yamano, Y, Kusakabe, K.I. | | Deposit date: | 2019-04-08 | | Release date: | 2020-01-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Trifluoromethyl Dihydrothiazine-Based beta-Secretase (BACE1) Inhibitors with Robust Central beta-Amyloid Reduction and Minimal Covalent Binding Burden.
Chemmedchem, 14, 2019
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6YWS
 | | The structure of the large subunit of the mitoribosome from Neurospora crassa | | Descriptor: | 50S ribosomal protein L14, 50S ribosomal protein L17, 50S ribosomal protein L24, ... | | Authors: | Amunts, A, Itoh, Y, Naschberger, A. | | Deposit date: | 2020-04-30 | | Release date: | 2020-11-11 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.74 Å) | | Cite: | Analysis of translating mitoribosome reveals functional characteristics of translation in mitochondria of fungi.
Nat Commun, 11, 2020
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6YWY
 | | The structure of the mitoribosome from Neurospora crassa with bound tRNA at the P-site | | Descriptor: | 16S rRNA, 23S rRNA, 3-hydroxyisobutyryl-CoA hydrolase, ... | | Authors: | Amunts, A, Itoh, Y, Naschberger, A. | | Deposit date: | 2020-04-30 | | Release date: | 2020-11-11 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Analysis of translating mitoribosome reveals functional characteristics of translation in mitochondria of fungi.
Nat Commun, 11, 2020
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6YWX
 | | The structure of the mitoribosome from Neurospora crassa with tRNA bound to the E-site | | Descriptor: | 16S rRNA, 23S rRNA, 3-hydroxyisobutyryl-CoA hydrolase, ... | | Authors: | Amunts, A, Itoh, Y, Naschberger, A. | | Deposit date: | 2020-04-30 | | Release date: | 2020-11-11 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Analysis of translating mitoribosome reveals functional characteristics of translation in mitochondria of fungi.
Nat Commun, 11, 2020
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6EHR
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2N1B
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5CFT
 | | Crystal Structure of ANT(2")-Ia in complex with AMPCPP and gentamicin C1 | | Descriptor: | Aminoglycoside Nucleotidyltransferase (2")-Ia, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, HEXAETHYLENE GLYCOL, ... | | Authors: | Rodionov, D, Bassenden, A.V, Berghuis, A.M. | | Deposit date: | 2015-07-08 | | Release date: | 2016-03-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Analysis of the Tobramycin and Gentamicin Clinical Resistome Reveals Limitations for Next-generation Aminoglycoside Design.
Acs Chem.Biol., 11, 2016
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5K0U
 | | CryoEM structure of the full virion of a human rhinovirus C | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | Authors: | Liu, Y, Hill, M.G, Klose, T, Chen, Z, Watters, K.E, Jiang, W, Palmenberg, A.C, Rossmann, M.G. | | Deposit date: | 2016-05-17 | | Release date: | 2016-07-13 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | Atomic structure of a rhinovirus C, a virus species linked to severe childhood asthma.
Proc.Natl.Acad.Sci.USA, 113, 2016
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4RG4
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6CAV
 | | Aminoglycoside Phosphotransferase (2'')-Ia in complex with GMPPNP, Magnesium, and Dibekacin | | Descriptor: | Bifunctional AAC/APH, CHLORIDE ION, Dibekacin, ... | | Authors: | Caldwell, S.J, Berghuis, A.M. | | Deposit date: | 2018-02-01 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Plasticity of Aminoglycoside Binding to Antibiotic Kinase APH(2′′)-Ia.
Antimicrob. Agents Chemother., 62, 2018
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6CGD
 | | Aminoglycoside Phosphotransferase (2'')-Ia in complex with GMPPNP, Magnesium, and Amikacin | | Descriptor: | (2S)-N-[(1R,2S,3S,4R,5S)-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2S,3R,4S,5S ,6R)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-4-azanyl-2-oxidanyl-butanamide, Bifunctional AAC/APH, CHLORIDE ION, ... | | Authors: | Caldwell, S.J, Berghuis, A.M. | | Deposit date: | 2018-02-20 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Plasticity of Aminoglycoside Binding to Antibiotic Kinase APH(2′′)-Ia.
Antimicrob. Agents Chemother., 62, 2018
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5JZG
 | | CryoEM structure of the native empty particle of a human rhinovirus C | | Descriptor: | Capsid protein VP0, Capsid protein VP1, Capsid protein VP3 | | Authors: | Liu, Y, Hill, M.G, Klose, T, Chen, Z, Watters, K.E, Jiang, W, Palmenberg, A.C, Rossmann, M.G. | | Deposit date: | 2016-05-16 | | Release date: | 2016-07-13 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Atomic structure of a rhinovirus C, a virus species linked to severe childhood asthma.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5NIL
 | | Structure of the MacAB-TolC ABC-type tripartite multidrug efflux pump-MacB section | | Descriptor: | Macrolide export ATP-binding/permease protein MacB, Macrolide export protein MacA, Outer membrane protein TolC | | Authors: | Fitzpatrick, A.W.P, Llabres, S, Neuberger, A, Blaza, J.N, Bai, X.-C, Okada, U, Murakami, S, van Veen, H.W, Zachariae, U, Scheres, S.H.W, Luisi, B.F, Du, D. | | Deposit date: | 2017-03-24 | | Release date: | 2017-05-24 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (5.3 Å) | | Cite: | Structure of the MacAB-TolC ABC-type tripartite multidrug efflux pump.
Nat Microbiol, 2, 2017
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4QY5
 | | Crystal structures of chimeric beta-lactamase cTEM-19m showing different conformations | | Descriptor: | Beta-lactamase TEM,Beta-lactamase PSE-4, CHLORIDE ION, MAGNESIUM ION | | Authors: | Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M. | | Deposit date: | 2014-07-23 | | Release date: | 2015-08-12 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | Crystal structures of chimeric beta-lactamase cTEM-19m showing different conformations
To be Published
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7MIL
 | | Mouse TRPV3 in MSP2N2 nanodiscs, sensitized state at 42 degrees Celsius | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Transient receptor potential cation channel subfamily V member 3 | | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | Deposit date: | 2021-04-17 | | Release date: | 2021-07-21 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.86 Å) | | Cite: | Structural mechanism of heat-induced opening of a temperature-sensitive TRP channel.
Nat.Struct.Mol.Biol., 28, 2021
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7MIO
 | | Mouse TRPV3 in cNW11 nanodiscs, open state at 42 degrees Celsius | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Transient receptor potential cation channel subfamily V member 3 | | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | Deposit date: | 2021-04-17 | | Release date: | 2021-07-21 | | Last modified: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (3.48 Å) | | Cite: | Structural mechanism of heat-induced opening of a temperature-sensitive TRP channel.
Nat.Struct.Mol.Biol., 28, 2021
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7MIK
 | | Mouse TRPV3 in MSP2N2 nanodiscs, closed state at 42 degrees Celsius | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Transient receptor potential cation channel subfamily V member 3 | | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | Deposit date: | 2021-04-17 | | Release date: | 2021-07-21 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Structural mechanism of heat-induced opening of a temperature-sensitive TRP channel.
Nat.Struct.Mol.Biol., 28, 2021
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