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PDB: 89111 results

7MVY
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BU of 7mvy by Molmil
Single particle cryo-EM structure of the Chaetomium thermophilum Nup188-Nic96 complex (Nup188 residues 1-1858; Nic96 residues 240-301)
Descriptor: Nucleoporin NIC96, Nucleoporin NUP188
Authors:Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A.
Deposit date:2021-05-15
Release date:2022-06-15
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite:Architecture of the linker-scaffold in the nuclear pore.
Science, 376, 2022
4Z54
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BU of 4z54 by Molmil
High Resolution Human Septin3 GTPase domain with alpha-zero helix in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Neuronal-specific septin-3
Authors:Valadares, N.F, Macedo, J.N, Pereira, H.M, Brandao-Neto, J, Matos, S.O, Leonardo, D.A, Araujo, A.P.U, Garratt, R.C.
Deposit date:2015-04-02
Release date:2016-04-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:A complete compendium of crystal structures for the human SEPT3 subgroup reveals functional plasticity at a specific septin interface
Iucrj, 2020
6FTU
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BU of 6ftu by Molmil
Structure of a Quadruplex forming sequence from D. discoideum
Descriptor: DNA (26-MER), POTASSIUM ION
Authors:Guedin, A, Linda, L, Armane, S, Lacroix, L, Mergny, J.L, Thore, S, Yatsunyk, L.A.
Deposit date:2018-02-23
Release date:2018-04-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Quadruplexes in 'Dicty': crystal structure of a four-quartet G-quadruplex formed by G-rich motif found in the Dictyostelium discoideum genome.
Nucleic Acids Res., 46, 2018
5JDW
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BU of 5jdw by Molmil
CRYSTAL STRUCTURE OF HUMAN L-ARGININE:GLYCINE AMIDINOTRANSFERASE IN COMPLEX WITH GLYCINE
Descriptor: GLYCINE, PROTEIN (L-ARGININE:GLYCINE AMIDINOTRANSFERASE)
Authors:Fritsche, E, Humm, A, Huber, R.
Deposit date:1998-10-07
Release date:1999-02-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The ligand-induced structural changes of human L-Arginine:Glycine amidinotransferase. A mutational and crystallographic study.
J.Biol.Chem., 274, 1999
6FU4
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BU of 6fu4 by Molmil
Ligand binding domain (LBD) of the p. aeruginosa histamine receptor TlpQ
Descriptor: ACETATE ION, GLYCEROL, HISTAMINE, ...
Authors:Gavira, J.A, Krell, T, Conejero-Muriel, M, Corral-Lugo, A, Matilla, M.A, Silva Jimenez, H, Mesa Torres, N, Martin-Mora, D.
Deposit date:2018-02-26
Release date:2018-05-16
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:High-Affinity Chemotaxis to Histamine Mediated by the TlpQ Chemoreceptor of the Human Pathogen Pseudomonas aeruginosa.
MBio, 9, 2018
6FUL
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BU of 6ful by Molmil
Crystal structure of UTX complexed with 5-hydroxy-4-keto-1-methyl-picolinate
Descriptor: 1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid, 2-(2-METHOXYETHOXY)ETHANOL, Lysine-specific demethylase 6A, ...
Authors:Esposito, C, Sledz, P, Caflisch, A.
Deposit date:2018-02-27
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:In Silico Identification of JMJD3 Demethylase Inhibitors.
J Chem Inf Model, 58, 2018
7UD8
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BU of 7ud8 by Molmil
Crystal structure of carbon monoxy Hemoglobin in complex with 5HMF at 1.8 Angstrom
Descriptor: (5-methylfuran-2-yl)methanol, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Donkor, A.K, Musayev, F.N, Safo, M.S.
Deposit date:2022-03-18
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, Synthesis, and Antisickling Investigation of a Nitric Oxide-Releasing Prodrug of 5HMF for the Treatment of Sickle Cell Disease.
Biomolecules, 12, 2022
5JEB
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BU of 5jeb by Molmil
Crystal structure of EGFR tyrosine kinase domain with novel inhibitor of active state of HER2
Descriptor: 3-(furan-2-yl)-N-[5-(furan-2-yl)-2-methoxyphenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Epidermal growth factor receptor, SULFATE ION
Authors:Park, J.H, Lemmon, M.A.
Deposit date:2016-04-18
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.298 Å)
Cite:Overcoming resistance to HER2 inhibitors through state-specific kinase binding.
Nat.Chem.Biol., 12, 2016
5YQ2
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BU of 5yq2 by Molmil
Crystal structure of E.coli aminopeptidase N in complex with Puromycin aminonucleoside
Descriptor: (2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)-9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO-3-FURANOL, Aminopeptidase N, GLYCEROL, ...
Authors:Marapaka, A.K, Ganji, R.J, Reddi, R, Addlagatta, A.
Deposit date:2017-11-04
Release date:2018-11-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of E.coli aminopeptidase N in complex with Puromycin aminonucleoside
To Be Published
6SS6
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BU of 6ss6 by Molmil
Structure of arginase-2 in complex with the inhibitory human antigen-binding fragment Fab C0020187
Descriptor: Arginase-2, mitochondrial, Fab C0020187 heavy chain (IgG1), ...
Authors:Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
Deposit date:2019-09-06
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Extensive sequence and structural evolution of Arginase 2 inhibitory antibodies enabled by an unbiased approach to affinity maturation.
Proc.Natl.Acad.Sci.USA, 117, 2020
5JEQ
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BU of 5jeq by Molmil
Fragment of nitrate/nitrite sensor histidine kinase NarQ (R50K) in symmetric apo state
Descriptor: Nitrate/nitrite sensor protein NarQ, PHOSPHATE ION
Authors:Gushchin, I, Melnikov, I, Polovinkin, V, Ishchenko, A, Popov, A, Gordeliy, V.
Deposit date:2016-04-18
Release date:2017-05-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of transmembrane signaling by sensor histidine kinases.
Science, 356, 2017
8JFS
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BU of 8jfs by Molmil
Phosphate bound acylphosphatase from Deinococcus radiodurans at 1 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, Acylphosphatase, CITRIC ACID, ...
Authors:Khakerwala, Z, Kumar, A, Makde, R.D.
Deposit date:2023-05-18
Release date:2023-06-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1 Å)
Cite:Crystal structure of phosphate bound Acyl phosphatase mini-enzyme from Deinococcus radiodurans at 1 angstrom resolution.
Biochem.Biophys.Res.Commun., 671, 2023
6SHQ
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BU of 6shq by Molmil
Escherichia coli AGPase in complex with AMP. Symmetry C2
Descriptor: ADENOSINE MONOPHOSPHATE, Glucose-1-phosphate adenylyltransferase
Authors:Cifuente, J.O, Comino, N, D'Angelo, C, Marina, A, Gil-Carton, D, Albesa-Jove, D, Guerin, M.E.
Deposit date:2019-08-07
Release date:2020-02-05
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The allosteric control mechanism of bacterial glycogen biosynthesis disclosed by cryoEM.
Curr Res Struct Biol, 2, 2020
6IBP
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BU of 6ibp by Molmil
Structure of a psychrophilic CCA-adding enzyme at room temperature in ChipX microfluidic device
Descriptor: CCA-adding enzyme
Authors:de Wijn, R, Hennig, O, Rollet, K, Bluhm, A, Betat, H, Moerl, M, Lorber, B, Sauter, C.
Deposit date:2018-11-30
Release date:2019-05-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.536 Å)
Cite:A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
8A4L
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BU of 8a4l by Molmil
Lipidic alpha-synuclein fibril - polymorph L2A
Descriptor: Alpha-synuclein
Authors:Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F.
Deposit date:2022-06-12
Release date:2022-08-17
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:The 3D structure of lipidic fibrils of alpha-synuclein.
Nat Commun, 13, 2022
6GB1
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BU of 6gb1 by Molmil
Crystal structure of the GLP1 receptor ECD with Peptide 11
Descriptor: Glucagon-like peptide 1 receptor, HEXANE-1,6-DIOL, Peptide 11, ...
Authors:Schreuder, H.A, Liesum, A.
Deposit date:2018-04-13
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Dual Glucagon-like Peptide 1 (GLP-1)/Glucagon Receptor Agonists Specifically Optimized for Multidose Formulations.
J. Med. Chem., 61, 2018
8RH1
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BU of 8rh1 by Molmil
Trimeric HSV-2F gB ectodomain in postfusion conformation with three bound HDIT101 Fab molecules.
Descriptor: Envelope glycoprotein B, HDIT101 Fab heavy chain, HDIT101 Fab light chain
Authors:Kalbermatter, D, Seyfizadeh, N, Imhof, T, Ries, M, Mueller, C, Jenner, L, Blumenschein, E, Yendrzheyevskiy, A, Moog, K, Eckert, D, Engel, R, Diebolder, P, Chami, M, Krauss, J, Schaller, T, Arndt, M.
Deposit date:2023-12-14
Release date:2024-06-19
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Development of a highly effective combination monoclonal antibody therapy against Herpes simplex virus.
J.Biomed.Sci., 31, 2024
6VUS
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BU of 6vus by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT379
Descriptor: 2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide, GLYCEROL, N-acetyltransferase Eis
Authors:Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2020-02-16
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
5HRW
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BU of 5hrw by Molmil
Crystal structure of the fifth bromodomain of human PB1 in complex with 1-propylisochromeno[3,4-c]pyrazol-5(2H)-one) compound
Descriptor: 1,2-ETHANEDIOL, 1-propylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1, ...
Authors:Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S.
Deposit date:2016-01-24
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
8BXG
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BU of 8bxg by Molmil
Structure of the K/H exchanger KefC.
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, ADENOSINE MONOPHOSPHATE, Glutathione-regulated potassium-efflux system protein KefC, ...
Authors:Gulati, A, Drew, D.
Deposit date:2022-12-08
Release date:2023-12-20
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structure and mechanism of the K + /H + exchanger KefC.
Nat Commun, 15, 2024
8RH0
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BU of 8rh0 by Molmil
Trimeric HSV-1F gB ectodomain in postfusion conformation with three bound HDIT102 Fab molecules.
Descriptor: Envelope glycoprotein B, HDIT102 Fab heavy chain
Authors:Kalbermatter, D, Seyfizadeh, N, Imhof, T, Ries, M, Mueller, C, Jenner, L, Blumenschein, E, Yendrzheyevskiy, A, Moog, K, Eckert, D, Engel, R, Diebolder, P, Chami, M, Krauss, J, Schaller, T, Arndt, M.
Deposit date:2023-12-14
Release date:2024-06-19
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Development of a highly effective combination monoclonal antibody therapy against Herpes simplex virus.
J.Biomed.Sci., 31, 2024
4ZE0
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BU of 4ze0 by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140F mutant complexed with Voriconazole
Descriptor: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole
Authors:Sagatova, A, Keniya, M.V, Wilson, R, Tyndall, J.D.A, Monk, B.C.
Deposit date:2015-04-20
Release date:2016-03-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase.
Sci Rep, 6, 2016
6C6N
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BU of 6c6n by Molmil
Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and Cmpd-4"
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Padyana, A.K, Jin, L.
Deposit date:2018-01-19
Release date:2019-01-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
6XB0
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BU of 6xb0 by Molmil
Room temperature X-ray crystallography reveals catalytic cysteine in the SARS-CoV-2 3CL Mpro is highly reactive: Insights for enzyme mechanism and drug design
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Kneller, D.W, Kovalevsky, A, Coates, L.
Deposit date:2020-06-05
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL M pro : insights into enzyme mechanism and drug design.
Iucrj, 7, 2020
4U9P
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BU of 4u9p by Molmil
Structure of the methanofuran/methanopterin biosynthetic enzyme MJ1099 from Methanocaldococcus jannaschii
Descriptor: GLYCEROL, UPF0264 protein MJ1099
Authors:Bobik, T.A, Morales, E, Shin, A, Cascio, D, Sawaya, M.R, Arbing, M, Rasche, M.E.
Deposit date:2014-08-06
Release date:2014-11-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the methanofuran/methanopterin-biosynthetic enzyme MJ1099 from Methanocaldococcus jannaschii.
Acta Crystallogr.,Sect.F, 70, 2014

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