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5UCY
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BU of 5ucy by Molmil
Cryo-EM map of protofilament of microtubule doublet
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ichikawa, M, Liu, D, Kastritis, P.L, Basu, K, Bui, K.H.
Deposit date:2016-12-22
Release date:2017-05-10
Last modified:2020-01-15
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Subnanometre-resolution structure of the doublet microtubule reveals new classes of microtubule-associated proteins.
Nat Commun, 8, 2017
8U06
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BU of 8u06 by Molmil
Imine reductase RedE bound with NADP+ and arcyriaflavin A (primary site)
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Arcyriaflavin A, ...
Authors:Daniel-Ivad, P, Ryan, K.S.
Deposit date:2023-08-28
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:An imine reductase that captures reactive intermediates in the biosynthesis of the indolocarbazole reductasporine
To be published
7UPS
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BU of 7ups by Molmil
Structural study of Legionella pneumophila effector DotY (Lpg0294)
Descriptor: 1,2-ETHANEDIOL, DotY (Lpg0294)
Authors:Chung, I.Y.W, Cygler, M.
Deposit date:2022-04-16
Release date:2022-08-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural study of Legionella pneumophila effector DotY (Lpg0294), a component of the Dot/Icm type IV secretion system.
Acta Crystallogr.,Sect.F, 78, 2022
8U07
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BU of 8u07 by Molmil
Imine reductase RedE bound with NADP+ and arcyriaflavin A (secondary site)
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Arcyriaflavin A, ...
Authors:Daniel-Ivad, P, Ryan, K.S.
Deposit date:2023-08-28
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:An imine reductase that captures reactive intermediates in the biosynthesis of the indolocarbazole reductasporine
To be published
7UBX
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BU of 7ubx by Molmil
Structure of a pore forming fragment of Clostridium difficile toxin A in complex with VHH AA6
Descriptor: Nanobody VHH AA6, Toxin A
Authors:Chen, B, Rongsheng, J, Kay, P.
Deposit date:2022-03-15
Release date:2022-11-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Neutralizing epitopes on Clostridioides difficile toxin A revealed by the structures of two camelid VHH antibodies.
Front Immunol, 13, 2022
7UBY
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BU of 7uby by Molmil
Structure of the GTD domain of Clostridium difficile toxin A in complex with VHH AH3
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Glucosyltransferase TcdA, ...
Authors:Chen, B, Rongsheng, J, Kay, P.
Deposit date:2022-03-15
Release date:2022-11-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Neutralizing epitopes on Clostridioides difficile toxin A revealed by the structures of two camelid VHH antibodies.
Front Immunol, 13, 2022
8U0H
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BU of 8u0h by Molmil
Crystal structure of PTPN2 with a PROTAC
Descriptor: (5P)-3-(carboxymethoxy)-4-chloro-5-(3-{[(4S)-1-({3-[2-(4-{3-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl}piperidin-1-yl)acetamido]phenyl}methanesulfonyl)-2,2-dimethylpiperidin-4-yl]amino}phenyl)thiophene-2-carboxylic acid, ACETATE ION, PTPN2, ...
Authors:Jain, R, Longenecker, K, Qiu, W.
Deposit date:2023-08-29
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Mechanistic insights into a heterobifunctional degrader-induced PTPN2/N1 complex.
Commun Chem, 7, 2024
7XMA
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BU of 7xma by Molmil
Crystal structure of Bovine heart cytochrome c oxidase, apo structure with DMSO
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Nishida, Y, Shinzawa-Itoh, K, Mizuno, N, Kumasaka, T, Yoshikawa, S, Tsukihara, T, Takashima, S, Shintani, Y.
Deposit date:2022-04-25
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases.
Nat Commun, 13, 2022
7WZX
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BU of 7wzx by Molmil
The structure of a Twitch Radical SAM Dehydrogenase SpeY
Descriptor: (2~{S},4~{S},6~{R})-2-[(2~{S},3~{R},5~{S},6~{R})-3,5-bis(methylamino)-2,4,6-tris(oxidanyl)cyclohexyl]oxy-6-methyl-4-oxidanyl-oxan-3-one, 4Fe-4S cluster-binding domain-containing protein, GLYCEROL, ...
Authors:Hou, X.L, Zhou, J.H.
Deposit date:2022-02-19
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.980013 Å)
Cite:Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase.
J.Am.Chem.Soc., 144, 2022
7XMB
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BU of 7xmb by Molmil
Crystal structure of Bovine heart cytochrome c oxidase, the structure complexed with an allosteric inhibitor T113
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Nishida, Y, Shinzawa-Itoh, K, Mizuno, N, Kumasaka, T, Yoshikawa, S, Tsukihara, T, Shintani, Y, Takashima, S.
Deposit date:2022-04-25
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases.
Nat Commun, 13, 2022
7WZV
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BU of 7wzv by Molmil
The structure of a Twitch Radical SAM Dehydrogenase SpeY
Descriptor: (1~{S},2~{R},4~{S},5~{R})-2,4-bis(methylamino)-6-[(2~{S},3~{R},4~{S},6~{R})-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-cyclohexane-1,3,5-triol, 1,2-ETHANEDIOL, 4Fe-4S cluster-binding domain-containing protein, ...
Authors:Zhou, J.H, Hou, X.L.
Deposit date:2022-02-19
Release date:2022-12-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.899313 Å)
Cite:Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase.
J.Am.Chem.Soc., 144, 2022
7X0B
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BU of 7x0b by Molmil
The structure of a Twitch Radical SAM Dehydrogenase SpeY
Descriptor: 4Fe-4S cluster-binding domain-containing protein, CHLORIDE ION, GLYCEROL, ...
Authors:Hou, X.L, Zhou, J.H.
Deposit date:2022-02-21
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.02027535 Å)
Cite:Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase.
J.Am.Chem.Soc., 144, 2022
8DPY
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BU of 8dpy by Molmil
Synthetic Beta Sheet Macrocycle Stabilized by Hydrogen Bond Surrogates
Descriptor: beta sheet-forming peptide with flexible linker
Authors:Lu, B, Vecchioni, S, Nazzaro, A, Arora, P.S.
Deposit date:2022-07-18
Release date:2023-05-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1 Å)
Cite:Macrocyclic beta-Sheets Stabilized by Hydrogen Bond Surrogates.
Angew.Chem.Int.Ed.Engl., 62, 2023
7UFJ
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BU of 7ufj by Molmil
Structure of human MR1-ethylvanillin in complex with human MAIT A-F7 TCR
Descriptor: 3-ethoxy-4-hydroxybenzaldehyde, ACETATE ION, Beta-2-microglobulin, ...
Authors:Wang, C.J, Rossjohn, J, Le Nours, J.
Deposit date:2022-03-22
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Quantitative affinity measurement of small molecule ligand binding to Major Histocompatibility Complex class-I related protein 1 MR1.
J.Biol.Chem., 298, 2022
7UYG
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BU of 7uyg by Molmil
Structure of the first OTU domain from Legionella pneumophila effector protein LotA
Descriptor: GLYCEROL, IODIDE ION, LotA
Authors:Pruneda, J.N.
Deposit date:2022-05-06
Release date:2022-12-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mechanism of Lys6 poly-ubiquitin specificity by the L. pneumophila deubiquitinase LotA.
Mol.Cell, 83, 2023
7UYH
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BU of 7uyh by Molmil
Structure of the first OTU domain from Legionella pneumophila effector protein LotA bound to K6-linked diUb
Descriptor: LotA, Ubiquitin
Authors:Warren, G.D, Pruneda, J.N.
Deposit date:2022-05-06
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanism of Lys6 poly-ubiquitin specificity by the L. pneumophila deubiquitinase LotA.
Mol.Cell, 83, 2023
5TGA
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BU of 5tga by Molmil
Crystal structure of the S.cerevisiae 80S ribosome in complex with the A-site bound aminoacyl-tRNA analog ACCA-Pro
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate), ...
Authors:Melnikov, S, Mailliot, J.
Deposit date:2016-09-27
Release date:2016-11-23
Last modified:2016-12-14
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Molecular insights into protein synthesis with proline residues.
EMBO Rep., 17, 2016
7UXA
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BU of 7uxa by Molmil
Human tRNA Splicing Endonuclease Complex bound to pre-tRNA-ARG
Descriptor: MAGNESIUM ION, RNA (78-MER), tRNA-splicing endonuclease subunit Sen15, ...
Authors:Stanley, R.E, Hayne, C.K.
Deposit date:2022-05-05
Release date:2023-02-08
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Structural basis for pre-tRNA recognition and processing by the human tRNA splicing endonuclease complex.
Nat.Struct.Mol.Biol., 30, 2023
7N12
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BU of 7n12 by Molmil
Crystal structure of the M. abscessus LeuRS editing domain in complex with epetraborole-AMP adduct
Descriptor: Leucine--tRNA ligase, SULFATE ION, [(1S,5R,6R,7'S,8R)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate
Authors:Kalthoff, E, Schmeing, M.
Deposit date:2021-05-26
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Efficacy of epetraborole against Mycobacterium abscessus is increased with norvaline.
Plos Pathog., 17, 2021
7N11
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BU of 7n11 by Molmil
Crystal structure of the M. abscessus LeuRS editing domain in complex with epetraborole-AMP adduct
Descriptor: Leucine--tRNA ligase, SULFATE ION
Authors:Kalthoff, E, Schmeing, M.
Deposit date:2021-05-26
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Efficacy of epetraborole against Mycobacterium abscessus is increased with norvaline.
Plos Pathog., 17, 2021
5TGM
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BU of 5tgm by Molmil
Crystal structure of the S.cerevisiae 80S ribosome in complex with the A-site bound aminoacyl-tRNA analog ACCA-Pro
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate), ...
Authors:Melnikov, S, Mailliot, J, Yusupov, M.
Deposit date:2016-09-28
Release date:2017-01-18
Last modified:2022-12-07
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Molecular insights into protein synthesis with proline residues.
EMBO Rep., 17, 2016
7N3K
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BU of 7n3k by Molmil
Oridonin-bound SARS-CoV-2 Nsp9
Descriptor: (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, Non-structural protein 9, SULFATE ION
Authors:Littler, D.R, Gully, B.S, Rossjohn, J.
Deposit date:2021-06-01
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:A natural product compound inhibits coronaviral replication in vitro by binding to the conserved Nsp9 SARS-CoV-2 protein.
J.Biol.Chem., 297, 2021
8VVB
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BU of 8vvb by Molmil
Influenza antibody L5A7 Fab
Descriptor: L5A7 Heavy Chain, L5A7 Light Chain
Authors:Harris, D.R, Olia, A.S, Kwong, P.D.
Deposit date:2024-01-30
Release date:2024-05-22
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Anti-idiotype isolation of a broad and potent influenza A virus-neutralizing human antibody.
Front Immunol, 15, 2024
7UR9
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BU of 7ur9 by Molmil
SARS-Cov2 Main protease in complex with inhibitor CDD-1845
Descriptor: (2P)-2-(isoquinolin-4-yl)-1-[4-(methylamino)-4-oxobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide, 3C-like proteinase nsp5
Authors:Lu, S, Palzkill, T.
Deposit date:2022-04-21
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors.
Commun Chem, 6, 2023
7URB
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BU of 7urb by Molmil
Sars-Cov2 Main Protease in complex with CDD-1733
Descriptor: (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-{(1S)-1-[4-(trifluoromethyl)phenyl]butyl}-1H-benzimidazole-7-carboxamide, 3C-like proteinase
Authors:Lu, S, Palzkill, T, Matzuk, M.M, Judge, A.
Deposit date:2022-04-21
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors.
Commun Chem, 6, 2023

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PDB entries from 2024-09-11

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