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6AN9
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BU of 6an9 by Molmil
Crystal structure of PPk2 class III in complex with ADP from Cytophaga hutchinsonii ATCC 33406
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Polyphosphate:AMP phosphotransferase
Authors:Nocek, B, Joachimiak, A, Yakunin, A.
Deposit date:2017-08-12
Release date:2019-01-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.891 Å)
Cite:Structural Insights into Substrate Selectivity and Activity of Bacterial Polyphosphate Kinases
Acs Catalysis, 8, 2018
7ALY
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BU of 7aly by Molmil
The crystal structure of gene product PA4063 from Pseudomonas aeruginosa in complex with Au(I) for phasing
Descriptor: GOLD ION, PA4063 from Pseudomonas aeruginosa
Authors:Fiorillo, A, Ilari, A.
Deposit date:2020-10-07
Release date:2021-10-20
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and metal-binding properties of PA4063, a novel player in periplasmic zinc trafficking by Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
7AMX
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BU of 7amx by Molmil
The crystal structure of gene product PA4063 from Pseudomonas aeruginosa in complex with zinc
Descriptor: DUF2796 domain-containing protein, ZINC ION
Authors:Fiorillo, A, Ilari, A.
Deposit date:2020-10-09
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure and metal-binding properties of PA4063, a novel player in periplasmic zinc trafficking by Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
7ZU2
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BU of 7zu2 by Molmil
Crystal structure of mutant AR-LBD (Q799E) bound to dihydrotestosterone
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, IMIDAZOLE
Authors:Alegre-Marti, A, Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
Deposit date:2022-05-11
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance.
Sci Adv, 9, 2023
7ZU1
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BU of 7zu1 by Molmil
Crystal structure of mutant AR-LBD (V758A) bound to dihydrotestosterone
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, ...
Authors:Alegre-Marti, A, Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
Deposit date:2022-05-11
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance.
Sci Adv, 9, 2023
4XVH
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BU of 4xvh by Molmil
Crystal structure of a Corynascus thermopiles (Myceliophthora fergusii) carbohydrate esterase family 2 (CE2) enzyme plus carbohydrate binding domain (CBD)
Descriptor: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, Carbohydrate esterase family 2 (CE2), GLYCEROL
Authors:Stogios, P.J, Dong, A, Xu, X, Cui, H, Savchenko, A.
Deposit date:2015-01-27
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9449 Å)
Cite:Crystal structure of a Corynascus thermopiles carbohydrate esterase family 2 (CE2) enzyme plus carbohydrate binding domain (CBD)
To Be Published
6Y9N
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BU of 6y9n by Molmil
Crystal structure of Whirlin PDZ3_C-ter in complex with Myosin 15a C-terminal PDZ binding motif peptide
Descriptor: Unconventional myosin-XV, Whirlin
Authors:Zhu, Y, Delhommel, F, Haouz, A, Caillet-Saguy, C, Vaney, M, Mechaly, A.E, Wolff, N.
Deposit date:2020-03-10
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Deciphering the Unexpected Binding Capacity of the Third PDZ Domain of Whirlin to Various Cochlear Hair Cell Partners.
J.Mol.Biol., 432, 2020
6Y9O
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BU of 6y9o by Molmil
Crystal structure of Whirlin PDZ3_C-ter in complex with CASK internal PDZ binding motif peptide
Descriptor: Peripheral plasma membrane protein CASK, Whirlin
Authors:Zhu, Y, Delhommel, F, Haouz, A, Caillet-Saguy, C, Vaney, M, Mechaly, A.E, Wolff, N.
Deposit date:2020-03-10
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.632 Å)
Cite:Deciphering the Unexpected Binding Capacity of the Third PDZ Domain of Whirlin to Various Cochlear Hair Cell Partners.
J.Mol.Biol., 432, 2020
4Y23
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BU of 4y23 by Molmil
Crystal structure of T399A precursor mutant protein of gamma-glutamyl transpeptidase from Bacillus licheniformis
Descriptor: Gamma glutamyl transpeptidase,Gamma-glutamyltranspeptidase, SODIUM ION
Authors:Pica, A, Merlino, A.
Deposit date:2015-02-09
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:The maturation mechanism of gamma-glutamyl transpeptidases: Insights from the crystal structure of a precursor mimic of the enzyme from Bacillus licheniformis and from site-directed mutagenesis studies.
Biochim.Biophys.Acta, 1864, 2015
6PJ6
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BU of 6pj6 by Molmil
High resolution cryo-EM structure of E.coli 50S
Descriptor: 23S rRNA, 50S ribosomal protein L11, 50S ribosomal protein L13, ...
Authors:Stojkovic, V, Myasnikov, A, Frost, A, Fujimori, D.G.
Deposit date:2019-06-27
Release date:2020-01-22
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Assessment of the nucleotide modifications in the high-resolution cryo-electron microscopy structure of the Escherichia coli 50S subunit.
Nucleic Acids Res., 48, 2020
7O81
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BU of 7o81 by Molmil
Rabbit 80S ribosome colliding in another ribosome stalled by the SARS-CoV-2 pseudoknot
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ...
Authors:Bhatt, P.R, Scaiola, A, Leibundgut, M.A, Atkins, J.F, Ban, N.
Deposit date:2021-04-14
Release date:2021-06-02
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of ribosomal frameshifting during translation of the SARS-CoV-2 RNA genome.
Science, 372, 2021
7O7Y
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BU of 7o7y by Molmil
Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (high resolution)
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ...
Authors:Bhatt, P.R, Scaiola, A, Leibundgut, M.A, Atkins, J.F, Ban, N.
Deposit date:2021-04-14
Release date:2021-06-02
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Structural basis of ribosomal frameshifting during translation of the SARS-CoV-2 RNA genome.
Science, 372, 2021
7O80
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BU of 7o80 by Molmil
Rabbit 80S ribosome in complex with eRF1 and ABCE1 stalled at the STOP codon in the mutated SARS-CoV-2 slippery site
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ...
Authors:Bhatt, P.R, Scaiola, A, Leibundgut, M.A, Atkins, J.F, Ban, N.
Deposit date:2021-04-14
Release date:2021-06-02
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of ribosomal frameshifting during translation of the SARS-CoV-2 RNA genome.
Science, 372, 2021
6Y9Q
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BU of 6y9q by Molmil
Crystal structure of Whirlin PDZ3_C-ter in complex with Taperin internal PDZ binding motif peptide
Descriptor: Taperin, Whirlin
Authors:Zhu, Y, Delhommel, F, Haouz, A, Caillet-Saguy, C, Vaney, M, Mechaly, A.E, Wolff, N.
Deposit date:2020-03-10
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.315 Å)
Cite:Deciphering the Unexpected Binding Capacity of the Third PDZ Domain of Whirlin to Various Cochlear Hair Cell Partners.
J.Mol.Biol., 432, 2020
7ZS7
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BU of 7zs7 by Molmil
Crystal structure of human cathepsin L with covalently bound calpain inhibitor VI
Descriptor: (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]butanamide, ACETATE ION, Cathepsin L, ...
Authors:Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
Deposit date:2022-05-06
Release date:2023-05-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 2024
6HR2
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BU of 6hr2 by Molmil
Crystal structure of PROTAC 2 in complex with the bromodomain of human SMARCA4 and pVHL:ElonginC:ElonginB
Descriptor: (2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Roy, M, Bader, G, Diers, E, Trainor, N, Farnaby, W, Ciulli, A.
Deposit date:2018-09-26
Release date:2019-06-12
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design.
Nat.Chem.Biol., 15, 2019
5MI3
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BU of 5mi3 by Molmil
Structure of phosphorylated translation elongation factor EF-Tu from E. coli
Descriptor: Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Talavera, A, Hendrix, J, Versees, W, De Gieter, S, Castro-Roa, D, Jurenas, D, Van Nerom, K, Vandenberk, N, Barth, A, De Greve, H, Hofkens, J, Zenkin, N, Loris, R, Garcia-Pino, A.
Deposit date:2016-11-27
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Phosphorylation decelerates conformational dynamics in bacterial translation elongation factors.
Sci Adv, 4, 2018
3JBH
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BU of 3jbh by Molmil
TWO HEAVY MEROMYOSIN INTERACTING-HEADS MOTIFS FLEXIBLE DOCKED INTO TARANTULA THICK FILAMENT 3D-MAP ALLOWS IN DEPTH STUDY OF INTRA- AND INTERMOLECULAR INTERACTIONS
Descriptor: MYOSIN 2 ESSENTIAL LIGHT CHAIN STRIATED MUSCLE, MYOSIN 2 HEAVY CHAIN STRIATED MUSCLE, MYOSIN 2 REGULATORY LIGHT CHAIN STRIATED MUSCLE
Authors:Alamo, L, Qi, D, Wriggers, W, Pinto, A, Zhu, J, Bilbao, A, Gillilan, R.E, Hu, S, Padron, R.
Deposit date:2015-09-01
Release date:2016-03-09
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (20 Å)
Cite:Conserved Intramolecular Interactions Maintain Myosin Interacting-Heads Motifs Explaining Tarantula Muscle Super-Relaxed State Structural Basis.
J. Mol. Biol., 428, 2016
6HX5
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BU of 6hx5 by Molmil
Selenols: a new class of Carbonic Anhydrase inhibitors
Descriptor: Carbonic anhydrase 2, ZINC ION, benzeneselenol
Authors:Angeli, A, Ferraroni, M.
Deposit date:2018-10-16
Release date:2018-12-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Selenols: a new class of carbonic anhydrase inhibitors.
Chem. Commun. (Camb.), 55, 2019
7OFU
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BU of 7ofu by Molmil
Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 3, 4-Dihydroxybenzoic acid, methyl ester
Descriptor: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ...
Authors:Srinivasan, V, Ewert, W, Werner, N, Falke, S, Guenther, S, Reinke, P, Sprenger, J, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Wolf, M, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C.
Deposit date:2021-05-05
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
7OFS
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BU of 7ofs by Molmil
Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 4-(2-hydroxyethyl)phenol
Descriptor: 4-(2-hydroxyethyl)phenol, CHLORIDE ION, GLYCEROL, ...
Authors:Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Ewert, W, Sprenger, J, Koua, F, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Wolf, M, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C.
Deposit date:2021-05-05
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
7ZUC
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BU of 7zuc by Molmil
Human Major Histocompatibility Complex A2 allele presenting LLLGIGILV
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, LEU-LEU-LEU-GLY-ILE-GLY-ILE-LEU-VAL, ...
Authors:Rizkallah, P.J, Wall, A, Sewell, A.K, Fuller, A.
Deposit date:2022-05-12
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Targeting of multiple tumor-associated antigens by individual T cell receptors during successful cancer immunotherapy.
Cell, 186, 2023
7OFT
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BU of 7oft by Molmil
Structure of SARS-CoV-2 Papain-like protease PLpro in complex with p-hydroxybenzaldehyde
Descriptor: CHLORIDE ION, P-HYDROXYBENZALDEHYDE, POTASSIUM ION, ...
Authors:Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Ewert, W, Sprenger, J, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Wolf, M, Yefanov, O, Gelisio, L, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C.
Deposit date:2021-05-05
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
7ZVT
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BU of 7zvt by Molmil
CryoEM structure of Ku heterodimer bound to DNA
Descriptor: DNA (5'-D(P*CP*GP*AP*TP*AP*TP*CP*TP*AP*GP*AP*GP*GP*GP*AP*T)-3'), DNA (5'-D(P*TP*CP*CP*CP*TP*CP*TP*AP*GP*AP*TP*AP*TP*C)-3'), INOSITOL HEXAKISPHOSPHATE, ...
Authors:Hardwick, S.W, Kefala-Stavridi, A, Chirgadze, D.Y, Blundell, T.L, Chaplin, A.K.
Deposit date:2022-05-17
Release date:2023-05-24
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite:Structural and functional basis of inositol hexaphosphate stimulation of NHEJ through stabilization of Ku-XLF interaction.
Nucleic Acids Res., 51, 2023
3BCP
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BU of 3bcp by Molmil
Crystal Structure of The Swapped non covalent form of P19A/L28Q/N67D BS-RNase
Descriptor: Seminal ribonuclease
Authors:Merlino, A, Ercole, C, Picone, D, Pizzo, E, Mazzarella, L, Sica, F.
Deposit date:2007-11-13
Release date:2008-02-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:The buried diversity of bovine seminal ribonuclease: shape and cytotoxicity of the swapped non-covalent form of the enzyme
J.Mol.Biol., 376, 2008

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