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5UF3
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Structure Effects of the Four-Adenine Loop of the Coliphage GA Replicase RNA Operator
Descriptor: phage GA operator RNA hairpin
Authors:Chang, A.T, Tran, M, DeJong, E, Nikonowicz, E.P.
Deposit date:2017-01-03
Release date:2017-05-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure and Dynamics of the Tetra-A Loop and (A-A)-U Sequence Motif within the Coliphage GA Replicase RNA Operator.
Biochemistry, 56, 2017
8AKX
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BU of 8akx by Molmil
305 A SynPspA rod after incubation with ATP
Descriptor: Chloroplast membrane-associated 30 kD protein
Authors:Junglas, B, Hudina, E, Schoennenbeck, P, Ritter, I, Santiago-Schuebel, B, Huesgen, P, Sachse, C.
Deposit date:2022-07-31
Release date:2024-02-14
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Structural plasticity of bacterial ESCRT-III protein PspA in higher-order assemblies.
Nat.Struct.Mol.Biol., 2024
7TXT
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BU of 7txt by Molmil
Structure of human serotonin transporter bound to small molecule '8090 in lipid nanodisc and NaCl
Descriptor: 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine, 15B8 Fab heavy chain, 15B8 Fab light chain, ...
Authors:Singh, I, Seth, A, Billesboelle, C.B, Braz, J, Rodriguiz, R.M, Roy, K, Bekele, B, Craik, V, Huang, X.P, Boytsov, D, Lak, P, O'Donnell, H, Sandtner, W, Roth, B.L, Basbaum, A.I, Wetsel, W.C, Manglik, A, Shoichet, B.K, Rudnick, G.
Deposit date:2022-02-09
Release date:2023-03-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure-based discovery of conformationally selective inhibitors of the serotonin transporter.
Cell, 186, 2023
8AKV
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BU of 8akv by Molmil
270 A SynPspA rod after incubation with ATP
Descriptor: Chloroplast membrane-associated 30 kD protein
Authors:Junglas, B, Hudina, E, Schoennenbeck, P, Ritter, I, Santiago-Schuebel, B, Huesgen, P, Sachse, C.
Deposit date:2022-07-31
Release date:2024-02-14
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural plasticity of bacterial ESCRT-III protein PspA in higher-order assemblies.
Nat.Struct.Mol.Biol., 2024
8AM6
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BU of 8am6 by Molmil
Cyclohexanone dehydrogenase (CDH) from Alicycliphilus denitrificans K601 complexed with dehydrogenated substrate cyclohex-2-en-1-one - inactive mutant (Y195F)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Fumarate reductase/succinate dehydrogenase flavoprotein domain protein, GLYCEROL, ...
Authors:Prior, S.H, Taylor, E.J.
Deposit date:2022-08-02
Release date:2024-02-14
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Rational design of a cyclohexanone dehydrogenase for enhanced alpha , beta-desaturation and substrate specificity.
Chem Sci, 15, 2024
8AKW
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280 A SynPspA rod after incubation with ATP
Descriptor: Chloroplast membrane-associated 30 kD protein
Authors:Junglas, B, Hudina, E, Schoennenbeck, P, Ritter, I, Santiago-Schuebel, B, Huesgen, P, Sachse, C.
Deposit date:2022-07-31
Release date:2024-02-14
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (5.4 Å)
Cite:Structural plasticity of bacterial ESCRT-III protein PspA in higher-order assemblies.
Nat.Struct.Mol.Biol., 2024
5TT3
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BU of 5tt3 by Molmil
Crystal structure of the complex of Helicobacter pylori alpha-carbonic anhydrase with ethoxzolamide
Descriptor: 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Alpha-carbonic anhydrase, CHLORIDE ION, ...
Authors:Modak, J.K, Roujeinikova, A.
Deposit date:2016-11-01
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Activity Relationship for Sulfonamide Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase.
J. Med. Chem., 59, 2016
4YHA
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BU of 4yha by Molmil
Crystal structure of the complex of Helicobacter pylori alpha-Carbonic Anhydrase with methazolamide
Descriptor: Alpha-carbonic anhydrase, CHLORIDE ION, GLYCEROL, ...
Authors:Roujeinikova, A, Modak, J.K.
Deposit date:2015-02-27
Release date:2015-07-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for the Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase by Sulfonamides.
Plos One, 10, 2015
8AAV
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BU of 8aav by Molmil
Human heavy chain ferritin with introduced Cys residues modified with C10 ligand
Descriptor: 2-bromanyl-N-decyl-ethanamide, FE (III) ION, Ferritin heavy chain, ...
Authors:Boehler, H, Beck, T.
Deposit date:2022-07-03
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Assembly of chemically modified protein nanocages into 3D materials for the adsorption of uremic toxins.
J Mater Chem B, 11, 2022
7TXD
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BU of 7txd by Molmil
Cryo-EM structure of BG505 SOSIP HIV-1 Env trimer in complex with CD4 receptor (D1D2) and broadly neutralizing darpin bnD.9
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Broadly neutralizing darpin bnd.9, ...
Authors:Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L.
Deposit date:2022-02-08
Release date:2023-04-12
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:Trapping the HIV-1 V3 loop in a helical conformation enables broad neutralization.
Nat.Struct.Mol.Biol., 30, 2023
8BON
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BU of 8bon by Molmil
Structure of the SARS-CoV-2 spike glycoprotein in complex with the macrocyclic peptide S1B3inL1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Macrocyclic peptide S1B3inL1, ...
Authors:Hurdiss, D.L.
Deposit date:2022-11-15
Release date:2023-06-28
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A broad-spectrum macrocyclic peptide inhibitor of the SARS-CoV-2 spike protein.
Proc.Natl.Acad.Sci.USA, 120, 2023
4YLI
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BU of 4yli by Molmil
CL-K1 trimer
Descriptor: CALCIUM ION, CHLORIDE ION, Collectin-11, ...
Authors:Wallis, R, Girija, U.V, Gingras, A.R, Moody, P.C.E, Marshall, J.E.
Deposit date:2015-03-05
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Molecular basis of sugar recognition by collectin-K1 and the effects of mutations associated with 3MC syndrome.
Bmc Biol., 13, 2015
7H6V
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BU of 7h6v by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1262633486 (CHIKV_MacB-x0394)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
5TR6
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BU of 5tr6 by Molmil
Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine Kinase (SYK)
Descriptor: 1,2-ETHANEDIOL, 6-{[(1R,2S)-2-aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one, Tyrosine-protein kinase SYK
Authors:Yano, J, Jennings, A, Lam, B, Hoffman, I.D.
Deposit date:2016-10-25
Release date:2016-11-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Discovery of TAK-659 an orally available investigational inhibitor of Spleen Tyrosine Kinase (SYK).
Bioorg. Med. Chem. Lett., 26, 2016
7TPI
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BU of 7tpi by Molmil
SARS-CoV-2 E406W mutant Spike ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Addetia, A, Veesler, D.
Deposit date:2022-01-25
Release date:2023-11-15
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:SARS-CoV-2 E406W mutant Spike ectodomain
To Be Published
7H88
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BU of 7h88 by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741972444 (CHIKV_MacB-x1134)
Descriptor: (1Z)-N-hydroxy-2-methylpropanimidamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H8I
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BU of 7h8i by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z362772344 (CHIKV_MacB-x1194)
Descriptor: 1,4,6-trimethyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H8W
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BU of 7h8w by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z19674820 (CHIKV_MacB-x1316)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-HYDROXY-BENZOIC ACID METHYL ESTER, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7UKM
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BU of 7ukm by Molmil
Cryo-EM structure of Antibody 12-19 in complex with prefusion SARS-CoV-2 Spike glycoprotein
Descriptor: 12-19 Fab Heavy Chain, 12-19 Fab Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Casner, R.G, Shapiro, L.
Deposit date:2022-04-01
Release date:2023-10-04
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Structure and Neutralization of two quaternary SARS-CoV-2 omicron antibodies
To Be Published
7UKL
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BU of 7ukl by Molmil
Cryo-EM structure of Antibody 12-16 in complex with prefusion SARS-CoV-2 Spike glycoprotein
Descriptor: 12-16 Fab Heavy Chain, 12-16 Fab Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Casner, R.G, Shapiro, L.
Deposit date:2022-04-01
Release date:2023-10-04
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Antibodies targeting a quaternary site on SARS-CoV-2 spike glycoprotein prevent viral receptor engagement by conformational locking.
Immunity, 56, 2023
4Z3W
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BU of 4z3w by Molmil
Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with 1,5 Dienoyl-CoA
Descriptor: 1,5 Dienoyl-CoA, Benzoyl-CoA reductase, putative, ...
Authors:Weinert, T, Kung, J, Weidenweber, S, Huwiler, S, Boll, M, Ermler, U.
Deposit date:2015-04-01
Release date:2015-06-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.208 Å)
Cite:Structural basis of enzymatic benzene ring reduction.
Nat.Chem.Biol., 11, 2015
8BFL
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BU of 8bfl by Molmil
Jumbo Phage phi-kp24 empty capsid hexamers
Descriptor: Major head protein
Authors:Ouyang, R.
Deposit date:2022-10-26
Release date:2022-12-07
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:High-resolution reconstruction of a Jumbo-bacteriophage infecting capsulated bacteria using hyperbranched tail fibers.
Nat Commun, 13, 2022
5U84
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BU of 5u84 by Molmil
Acid ceramidase (ASAH1, aCDase) from common minke whale, Cys143Ala, uncleaved
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, ...
Authors:Gebai, A, Gorelik, A, Illes, K, Nagar, B.
Deposit date:2016-12-13
Release date:2018-03-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structural basis for the activation of acid ceramidase.
Nat Commun, 9, 2018
5U8U
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BU of 5u8u by Molmil
Dihydrolipoamide dehydrogenase (LpdG) from Pseudomonas aeruginosa
Descriptor: DIMETHYL SULFOXIDE, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Glasser, N.R, Wang, B.X, Hoy, J.A, Newman, D.K.
Deposit date:2016-12-15
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The Pyruvate and alpha-Ketoglutarate Dehydrogenase Complexes of Pseudomonas aeruginosa Catalyze Pyocyanin and Phenazine-1-carboxylic Acid Reduction via the Subunit Dihydrolipoamide Dehydrogenase.
J. Biol. Chem., 292, 2017
5UGF
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BU of 5ugf by Molmil
Crystal structure of human purine nucleoside phosphorylase (F159Y) mutant complexed with DADMe-ImmG and phosphate
Descriptor: 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, Purine nucleoside phosphorylase
Authors:Harijan, R.K, Cameron, S.A, Bonanno, J.B, Almo, S.C, Schramm, V.L.
Deposit date:2017-01-08
Release date:2017-06-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Catalytic-site design for inverse heavy-enzyme isotope effects in human purine nucleoside phosphorylase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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PDB entries from 2024-10-02

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