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4BWL
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BU of 4bwl by Molmil
Structure of the Y137A mutant of E. coli N-acetylneuraminic acid lyase in complex with pyruvate, N-acetyl-D-mannosamine and N- acetylneuraminic acid
Descriptor: 2-(ACETYLAMINO)-2-DEOXY-D-MANNOSE, 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid, N-ACETYLNEURAMINATE LYASE, ...
Authors:Campeotto, I, Phillips, S.E.V, Pearson, A.R, Nelson, A, Berry, A.
Deposit date:2013-07-03
Release date:2014-02-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Reaction Mechanism of N-Acetylneuraminic Acid Lyase Revealed by a Combination of Crystallography, Qm/Mm Simulation and Mutagenesis.
Acs Chem.Biol., 9, 2014
6OF1
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BU of 6of1 by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with dirithromycin and bound to mRNA and A-, P-, and E-site tRNAs at 2.80A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Khabibullina, N.F, Tereshchenkov, A.G, Komarova, E.S, Syroegin, E.A, Shiriaev, D.I, Paleskava, A, Kartsev, V.G, Bogdanov, A.A, Konevega, A.L, Dontsova, O.A, Sergiev, P.V, Osterman, I.A, Polikanov, Y.S.
Deposit date:2019-03-28
Release date:2019-04-17
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of Dirithromycin Bound to the Bacterial Ribosome Suggests New Ways for Rational Improvement of Macrolides.
Antimicrob.Agents Chemother., 63, 2019
9B0T
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BU of 9b0t by Molmil
Cryo-EM structure of E227Q variant of uMtCK1 in complex with transition state analog
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Creatine kinase U-type, mitochondrial, ...
Authors:Demir, M, Koepping, L, Zhao, J, Sergienko, E.
Deposit date:2024-03-12
Release date:2025-02-12
Last modified:2025-04-16
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structural basis for substrate binding, catalysis, and inhibition of cancer target mitochondrial creatine kinase by a covalent inhibitor.
Structure, 33, 2025
9B14
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BU of 9b14 by Molmil
Cryo-EM structure of human uMtCK1 in complex with transition state analog
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Creatine kinase U-type, mitochondrial, ...
Authors:Demir, M, Koepping, L, Zhao, J, Sergienko, E.
Deposit date:2024-03-13
Release date:2025-02-12
Last modified:2025-04-16
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Structural basis for substrate binding, catalysis, and inhibition of cancer target mitochondrial creatine kinase by a covalent inhibitor.
Structure, 33, 2025
9B0U
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BU of 9b0u by Molmil
Cryo-EM structure of E227Q variant of uMtCK1 incubated with ADP and phosphocreatine at pH 8.0
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Creatine kinase U-type, mitochondrial, ...
Authors:Demir, M, Koepping, L, Zhao, J, Sergienko, E.
Deposit date:2024-03-12
Release date:2025-02-12
Last modified:2025-04-16
Method:ELECTRON MICROSCOPY (2.44 Å)
Cite:Structural basis for substrate binding, catalysis, and inhibition of cancer target mitochondrial creatine kinase by a covalent inhibitor.
Structure, 33, 2025
6O5S
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BU of 6o5s by Molmil
Room temperature structure of VX-phosphonylated hAChE in complex with oxime reactivator RS-170B
Descriptor: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, O-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUP
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-04
Release date:2019-05-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.
J.Biol.Chem., 294, 2019
5KPX
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BU of 5kpx by Molmil
Structure of RelA bound to ribosome in presence of A/R tRNA (Structure IV)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Loveland, A.B, Bah, E, Madireddy, R, Zhang, Y, Brilot, A.F, Grigorieff, N, Korostelev, A.A.
Deposit date:2016-07-05
Release date:2016-09-28
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Ribosome•RelA structures reveal the mechanism of stringent response activation.
Elife, 5, 2016
7NHN
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BU of 7nhn by Molmil
VgaL, an antibiotic resistance ABCF, in complex with 70S ribosome from Listeria monocytogenes
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Crowe-McAuliffe, C, Turnbull, K.J, Hauryliuk, V, Wilson, D.N.
Deposit date:2021-02-10
Release date:2021-05-05
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of ABCF-mediated resistance to pleuromutilin, lincosamide, and streptogramin A antibiotics in Gram-positive pathogens.
Nat Commun, 12, 2021
2C0B
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BU of 2c0b by Molmil
Catalytic domain of E. coli RNase E in complex with 13-mer RNA
Descriptor: 5'-R(*UP*UP*UP*AP*CP*AP*GP*UP*AP*UP*UP*UP*G)-3', MAGNESIUM ION, RIBONUCLEASE E, ...
Authors:Marcaida, M.J, Callaghan, A.J, Scott, W.G, Luisi, B.F.
Deposit date:2005-08-30
Release date:2005-10-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Structure of E. Coli Rnase E Catalytic Domain and Implications for RNA Processing and Turnover
Nature, 437, 2005
2C4R
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BU of 2c4r by Molmil
Catalytic domain of E. coli RNase E
Descriptor: MAGNESIUM ION, RIBONUCLEASE E, SSRNA MOLECULE: 5'-R(*AP*CP*AP*GP*UP*AP*UP*UP*UP*GP)-3', ...
Authors:Marcaida, M.J, Callaghan, A.J, Luisi, B.F.
Deposit date:2005-10-21
Release date:2005-10-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structure of E. Coli Rnase E Catalytic Domain and Implications for RNA Processing and Turnover
Nature, 437, 2005
2BX2
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BU of 2bx2 by Molmil
Catalytic domain of E. coli RNase E
Descriptor: MAGNESIUM ION, RIBONUCLEASE E, RNA (5'-R(*UP*UP*UP*AP*CP*AP*GP*UP*AP*UP*UP* UP*GP*UP*U)-3'), ...
Authors:Marcaida, M.J, Callaghan, A.J, Scott, W.G, Luisi, B.F.
Deposit date:2005-07-21
Release date:2005-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure of E. Coli Rnase E Catalytic Domain and Implications for RNA Processing and Turnover
Nature, 437, 2005
3J2P
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BU of 3j2p by Molmil
CryoEM structure of Dengue virus envelope protein heterotetramer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, ...
Authors:Zhang, X, Ge, P, Yu, X, Brannan, J.M, Bi, G, Zhang, Q, Schein, S, Zhou, Z.H.
Deposit date:2012-11-30
Release date:2012-12-19
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structure of the mature dengue virus at 3.5-A resolution.
Nat.Struct.Mol.Biol., 20, 2012
7OVW
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BU of 7ovw by Molmil
Binding domain of botulinum neurotoxin E in complex with GD1a
Descriptor: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Neurotoxin type E
Authors:Masuyer, G, Stenmark, P.
Deposit date:2021-06-15
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanism of Ganglioside Receptor Recognition by Botulinum Neurotoxin Serotype E.
Int J Mol Sci, 22, 2021
7NPK
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BU of 7npk by Molmil
ALPHA-1 ANTITRYPSIN C232S COMPLEXED WITH CMPD3
Descriptor: Alpha-1-antitrypsin, GLYCEROL, N-((1S,2R)-1-hydroxy-1-(o-tolyl)pentan-2-yl)-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxamide
Authors:Chung, C.
Deposit date:2021-02-27
Release date:2021-04-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:The development of highly potent and selective small molecule correctors of Z alpha 1 -antitrypsin misfolding.
Bioorg.Med.Chem.Lett., 41, 2021
7RQ8
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BU of 7rq8 by Molmil
Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with iboxamycin, mRNA, deacylated A- and E-site tRNAs, and aminoacylated P-site tRNA at 2.50A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Mitcheltree, M.J, Pisipati, A, Syroegin, E.A, Silvestre, K.J, Klepacki, D, Mason, J.D, Terwilliger, D.W, Testolin, G, Pote, A.R, Wu, K.J.Y, Ladley, R.P, Chatman, K, Mankin, A.S, Polikanov, Y.S, Myers, A.G.
Deposit date:2021-08-06
Release date:2021-10-13
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A synthetic antibiotic class overcoming bacterial multidrug resistance.
Nature, 599, 2021
9BIB
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BU of 9bib by Molmil
Rat GluN1-GluN2B NMDA receptor channel in complex with glycine, glutamate, and EU-1622-A, in open-channel conformation, C1 symmetry
Descriptor: GLUTAMIC ACID, GLYCINE, Glutamate receptor, ...
Authors:Chou, T.-H, Furukawa, H.
Deposit date:2024-04-23
Release date:2024-07-31
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.81 Å)
Cite:Molecular mechanism of ligand gating and opening of NMDA receptor.
Nature, 632, 2024
7RQ9
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BU of 7rq9 by Molmil
Crystal structure of the A2058-dimethylated Thermus thermophilus 70S ribosome in complex with iboxamycin, mRNA, deacylated A- and E-site tRNAs, and aminoacylated P-site tRNA at 2.60A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Mitcheltree, M.J, Pisipati, A, Syroegin, E.A, Silvestre, K.J, Klepacki, D, Mason, J.D, Terwilliger, D.W, Testolin, G, Pote, A.R, Wu, K.J.Y, Ladley, R.P, Chatman, K, Mankin, A.S, Polikanov, Y.S, Myers, A.G.
Deposit date:2021-08-06
Release date:2021-10-13
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A synthetic antibiotic class overcoming bacterial multidrug resistance.
Nature, 599, 2021
6ZKY
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BU of 6zky by Molmil
Crystal structure of InhA:01 TCR in complex with HLA-E (S147C) bound to InhA (53-61 H3C)
Descriptor: Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], HLA class I histocompatibility antigen, ...
Authors:Srikannathasan, V, Karuppiah, V, Robinson, R.A.
Deposit date:2020-06-30
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition.
Eur.J.Immunol., 52, 2022
6ZKW
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BU of 6zkw by Molmil
Crystal structure of InhA:01 TCR in complex with HLA-E bound to InhA (53-61)
Descriptor: Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], HLA class I histocompatibility antigen, ...
Authors:Srikannathasan, V, Karuppiah, V, Robinson, R.A.
Deposit date:2020-06-30
Release date:2022-01-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition.
Eur.J.Immunol., 52, 2022
6ZKX
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BU of 6zkx by Molmil
Crystal structure of InhA:01 TCR in complex with HLA-E (Y84C) bound to InhA (53-61 GCG)
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
Authors:Srikannathasan, V, Karuppiah, V, Robinson, R.A.
Deposit date:2020-06-30
Release date:2022-01-26
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition.
Eur.J.Immunol., 52, 2022
6ZKZ
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BU of 6zkz by Molmil
Crystal structure of InhA:01 TCR in complex with HLA-E (F116C) bound to InhA (53-61 H4C)
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
Authors:Srikannathasan, V, Karuppiah, V, Robinson, R.A.
Deposit date:2020-06-30
Release date:2022-01-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition.
Eur.J.Immunol., 52, 2022
8BVD
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BU of 8bvd by Molmil
FimH lectin domain in complex with mannose C-linked to quinoline
Descriptor: (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-3-quinolin-6-ylprop-2-enyl]oxane-3,4,5-triol, Type 1 fimbrin D-mannose specific adhesin
Authors:Bouckaert, J, Bridot, C.
Deposit date:2022-12-03
Release date:2023-02-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.995 Å)
Cite:Insightful Improvement in the Design of Potent Uropathogenic E. coli FimH Antagonists.
Pharmaceutics, 15, 2023
4VUB
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BU of 4vub by Molmil
CCDB, A TOPOISOMERASE POISON FROM ESCHERICHIA COLI
Descriptor: CCDB, CHLORIDE ION
Authors:Loris, R, Dao-Thi, M.-H, Bahasi, E.M, Van Melderen, L, Poortmans, F, Liddington, R, Couturier, M, Wyns, L.
Deposit date:1998-04-17
Release date:1998-10-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of CcdB, a topoisomerase poison from E. coli.
J.Mol.Biol., 285, 1999
6ZIQ
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BU of 6ziq by Molmil
bovine ATP synthase stator domain, state 1
Descriptor: ATP synthase F(0) complex subunit B1, mitochondrial, ATP synthase F(0) complex subunit C1, ...
Authors:Spikes, T.E, Montgomery, M.G, Walker, J.E.
Deposit date:2020-06-26
Release date:2020-09-09
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (4.33 Å)
Cite:Structure of the dimeric ATP synthase from bovine mitochondria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ZIT
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BU of 6zit by Molmil
bovine ATP synthase Stator domain, state 2
Descriptor: ATP synthase F(0) complex subunit B1, mitochondrial, ATP synthase F(0) complex subunit C2, ...
Authors:Spikes, T.E, Montgomery, M.G, Walker, J.E.
Deposit date:2020-06-26
Release date:2020-09-09
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structure of the dimeric ATP synthase from bovine mitochondria.
Proc.Natl.Acad.Sci.USA, 117, 2020

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