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PDB: 53012 results

7NFI
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An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L7Y.
Descriptor: CC-Type2-(LaId)4-L7Y
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
1ABV
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BU of 1abv by Molmil
N-TERMINAL DOMAIN OF THE DELTA SUBUNIT OF THE F1F0-ATP SYNTHASE FROM ESCHERICHIA COLI, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: DELTA SUBUNIT OF THE F1F0-ATP SYNTHASE
Authors:Wilkens, S, Dunn, S.D, Chandler, J, Dahlquist, F.W, Capaldi, R.A.
Deposit date:1997-01-29
Release date:1997-07-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the N-terminal domain of the delta subunit of the E. coli ATPsynthase.
Nat.Struct.Biol., 4, 1997
7ZA3
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BU of 7za3 by Molmil
GPC3-Unc5D octamer structure and role in cell migration
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3, ...
Authors:Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E.
Deposit date:2022-03-21
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (4 Å)
Cite:GPC3-Unc5 receptor complex structure and role in cell migration.
Cell, 185, 2022
7ZAW
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BU of 7zaw by Molmil
GPC3-Unc5D octamer structure and role in cell migration
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3
Authors:Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E.
Deposit date:2022-03-22
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:GPC3-Unc5 receptor complex structure and role in cell migration.
Cell, 185, 2022
7NFK
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BU of 7nfk by Molmil
An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I24S.
Descriptor: CC-Type2-(LaId)4-I24S, ISOPROPYL ALCOHOL
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
8EQZ
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BU of 8eqz by Molmil
Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog T0-C6
Descriptor: N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-hexylbenzenesulfonamide, Nuclear receptor subfamily 1 group I member 2
Authors:Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Li, Y, Chen, T.
Deposit date:2022-10-11
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein.
Proc.Natl.Acad.Sci.USA, 120, 2023
7AV4
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BU of 7av4 by Molmil
Dark state structure of the C432S mutant of Fatty Acid Photodecarboxylase (FAP)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ...
Authors:Schlichting, I, Hartmann, E, Arnoux, P, Sorigue, D, Beisson, F.
Deposit date:2020-11-04
Release date:2021-04-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.936 Å)
Cite:Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
7ZA2
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BU of 7za2 by Molmil
GPC3-Unc5D octamer structure and role in cell migration
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3, ...
Authors:Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E.
Deposit date:2022-03-21
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (4.6 Å)
Cite:GPC3-Unc5 receptor complex structure and role in cell migration.
Cell, 185, 2022
7NE6
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BU of 7ne6 by Molmil
Human TET2 in complex with unfavourable DNA substrate.
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (5'-D(*AP*CP*AP*GP*GP*(5CM)P*GP*CP*CP*TP*G)-3'), ...
Authors:Rafalski, D, Bochtler, M.
Deposit date:2021-02-03
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Pronounced sequence specificity of the TET enzyme catalytic domain guides its cellular function.
Sci Adv, 8, 2022
8EKA
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BU of 8eka by Molmil
Cryo-EM structure of a potent anti-malarial antibody L9 in complex with Plasmodium falciparum circumsporozoite protein (PfCSP)(class 2)
Descriptor: Circumsporozoite protein, L9 Fab heavy chain, L9 Fab light chain
Authors:Tripathi, P, Kwong, P.D.
Deposit date:2022-09-20
Release date:2023-03-15
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structures of anti-malarial antibody L9 with circumsporozoite protein reveal trimeric L9 association and complete 27-residue epitope.
Structure, 31, 2023
7B2L
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BU of 7b2l by Molmil
Structure of the endocytic adaptor complex AENTH
Descriptor: ANTH domain of Sla2, ENTH domain of epsin Ent1, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
Authors:Klebl, D.P, Lizarrondo, J, Sobott, F, Garcia-Alai, M, Muench, S.P.
Deposit date:2020-11-27
Release date:2021-05-05
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure of the endocytic adaptor complex reveals the basis for efficient membrane anchoring during clathrin-mediated endocytosis.
Nat Commun, 12, 2021
8F5V
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BU of 8f5v by Molmil
Crystal structure of Mycobacterium tuberculosis Mycothiol S-transferase enzyme in complex with mycothiol and Zn2+
Descriptor: Conserved protein, Mycothiol, ZINC ION
Authors:Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2022-11-15
Release date:2023-04-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Mycobacterium tuberculosis mycothiol S -transferase is divalent metal-dependent for mycothiol binding and transfer.
Rsc Med Chem, 14, 2023
7SOD
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BU of 7sod by Molmil
SARS-CoV-2 S NTD B.1.617.1 kappa variant S2L20 Local Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 Fab heavy chain, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-10-29
Release date:2021-11-17
Last modified:2022-01-05
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular basis of immune evasion by the Delta and Kappa SARS-CoV-2 variants.
Science, 374, 2021
7SO9
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BU of 7so9 by Molmil
SARS-CoV-2 S B.1.617.2 delta variant + S2M11 + S2L20 Global Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 Fab heavy chain, S2L20 Fab light chain, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-10-29
Release date:2021-11-17
Last modified:2022-01-05
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Molecular basis of immune evasion by the Delta and Kappa SARS-CoV-2 variants.
Science, 374, 2021
6N0O
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BU of 6n0o by Molmil
Crystal structure of Tdp1 catalytic domain in complex with compound XZ523
Descriptor: 1,2-ETHANEDIOL, 4-nitrobenzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1
Authors:Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
Deposit date:2018-11-07
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.943 Å)
Cite:Crystal structure of Tdp1 catalytic domain
To Be Published
7SOE
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BU of 7soe by Molmil
SARS-CoV-2 S B.1.617.1 kappa variant + S2X303 Global Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2X303 Fab heavy chain, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-10-29
Release date:2021-11-17
Last modified:2022-06-08
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Molecular basis of immune evasion by the Delta and Kappa SARS-CoV-2 variants.
Science, 374, 2021
6PCS
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BU of 6pcs by Molmil
E. coli 50S ribosome bound to compound 40e
Descriptor: (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl [4-(trifluoromethyl)phenyl]carbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
Authors:Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
Deposit date:2019-06-18
Release date:2020-06-17
Last modified:2020-10-07
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
7SOA
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BU of 7soa by Molmil
SARS-CoV-2 S NTD B.1.617.2 delta variant + S2L20 Local Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 Fab heavy chain, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-10-29
Release date:2021-11-17
Last modified:2022-01-05
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular basis of immune evasion by the Delta and Kappa SARS-CoV-2 variants.
Science, 374, 2021
6N2E
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BU of 6n2e by Molmil
Crystal Structure of Human Protocadherin-15 EC1-3 G16D N369D Q370N and Mouse Cadherin-23 EC1-2 T15E
Descriptor: CALCIUM ION, Cadherin-23, Protocadherin-15
Authors:Choudhary, D, De-la-Torre, P, Sotomayor, M.
Deposit date:2018-11-12
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural determinants of protocadherin-15 mechanics and function in hearing and balance perception.
Proc.Natl.Acad.Sci.USA, 117, 2020
7NQB
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BU of 7nqb by Molmil
X.ray structure of the oxaliplatin/beta-lactoglobulin adduct
Descriptor: Beta-lactoglobulin, PLATINUM (II) ION
Authors:Merlino, A, Loreto, D, Ferraro, G.
Deposit date:2021-03-01
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Protein-Based Delivery Systems for Anticancer Metallodrugs: Structure and Biological Activity of the Oxaliplatin/ beta-Lactoglobulin Adduct.
Pharmaceuticals, 15, 2022
6P80
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BU of 6p80 by Molmil
Structure of E. coli MS115-1 CdnC + ATP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
Authors:Ye, Q, Azimi, C.S, Corbett, K.D.
Deposit date:2019-06-06
Release date:2019-12-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:HORMA Domain Proteins and a Trip13-like ATPase Regulate Bacterial cGAS-like Enzymes to Mediate Bacteriophage Immunity.
Mol.Cell, 77, 2020
6F7Q
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BU of 6f7q by Molmil
Human Butyrylcholinesterase complexed with N-Propargyliperidines
Descriptor: 1,2-ETHANEDIOL, 2-[[(3~{R})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-3-yl]methyl-(8-oxidanylquinolin-2-yl)carbonyl-amino]ethyl-dimethyl-azanium, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Coquelle, N, Knez, D, Colletier, J.P, Gobec, S.
Deposit date:2017-12-11
Release date:2018-09-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Multi-target-directed ligands for treating Alzheimer's disease: Butyrylcholinesterase inhibitors displaying antioxidant and neuroprotective activities.
Eur.J.Med.Chem., 156, 2018
7SY4
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BU of 7sy4 by Molmil
Cryo-EM structure of the SARS-CoV-2 D614G,N501Y,E484K mutant spike protein ectodomain bound to human ACE2 ectodomain (focused refinement of RBD and ACE2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S.
Deposit date:2021-11-24
Release date:2021-12-29
Last modified:2022-01-05
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding.
Cell Rep, 37, 2021
7SY6
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BU of 7sy6 by Molmil
Cryo-EM structure of the SARS-CoV-2 D614G,N501Y,E484K,K417N mutant spike protein ectodomain bound to human ACE2 ectodomain (focused refinement of RBD and ACE2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S.
Deposit date:2021-11-24
Release date:2021-12-29
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding.
Cell Rep, 37, 2021
6MYZ
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BU of 6myz by Molmil
Crystal structure of Tdp1 catalytic domain in complex with compound XZ520
Descriptor: 1,2-ETHANEDIOL, 4-oxo-8-phenyl-1,4-dihydroquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1
Authors:Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
Deposit date:2018-11-02
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.661 Å)
Cite:Structure of Tdp1 catalytic domain in complex with compound XZ520
To Be Published

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