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7NGY
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BU of 7ngy by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
Descriptor: 4-methyl-~{N}-[(~{E})-oct-5-enyl]piperidine-1-carboxamide, HTH-type transcriptional regulator EthR
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
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
6ZZY
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BU of 6zzy by Molmil
Structure of high-light grown Chlorella ohadii photosystem I
Descriptor: (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ...
Authors:Caspy, I, Nelson, N, Nechushtai, R, Shkolnisky, Y, Neumann, E.
Deposit date:2020-08-05
Release date:2021-07-28
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Cryo-EM photosystem I structure reveals adaptation mechanisms to extreme high light in Chlorella ohadii.
Nat.Plants, 7, 2021
7A4P
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BU of 7a4p by Molmil
Structure of small high-light grown Chlorella ohadii photosystem I
Descriptor: (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (3R)-beta,beta-caroten-3-ol, ...
Authors:Caspy, I, Nelson, N, Nechushtai, R, Shkolnisky, Y, Neumann, E.
Deposit date:2020-08-20
Release date:2021-07-28
Last modified:2025-01-29
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM photosystem I structure reveals adaptation mechanisms to extreme high light in Chlorella ohadii.
Nat.Plants, 7, 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
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
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
7NHE
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BU of 7nhe by Molmil
Crystal structure of Arabidopsis thaliana Pdx1K166R-I333 complex
Descriptor: PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3, [(~{E},4~{S})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen phosphate
Authors:Rodrigues, M.J, Zhang, Y, Bolton, R, Evans, G, Giri, N, Royant, A, Begley, T, Ealick, S.E, Tews, I.
Deposit date:2021-02-10
Release date:2021-12-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Trapping and structural characterisation of a covalent intermediate in vitamin B 6 biosynthesis catalysed by the Pdx1 PLP synthase.
Rsc Chem Biol, 3, 2022
8CVJ
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BU of 8cvj by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with mRNA, aminoacylated A-site Phe-NH-tRNAphe, peptidyl P-site fMSEAC-NH-tRNAmet, and deacylated E-site tRNAphe at 2.40A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Syroegin, E.A, Aleksandrova, E.V, Polikanov, Y.S.
Deposit date:2022-05-18
Release date:2022-10-19
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Insights into the ribosome function from the structures of non-arrested ribosome-nascent chain complexes.
Nat.Chem., 15, 2023
8CVK
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BU of 8cvk by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with mRNA, aminoacylated A-site Phe-NH-tRNAphe, peptidyl P-site fMRC-NH-tRNAmet, and deacylated E-site tRNAphe at 2.50A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Syroegin, E.A, Aleksandrova, E.V, Polikanov, Y.S.
Deposit date:2022-05-18
Release date:2022-10-19
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insights into the ribosome function from the structures of non-arrested ribosome-nascent chain complexes.
Nat.Chem., 15, 2023
8CVL
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BU of 8cvl by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with mRNA, aminoacylated A-site Phe-NH-tRNAphe, peptidyl P-site fMTHSMRC-NH-tRNAmet, and deacylated E-site tRNAphe at 2.30A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Syroegin, E.A, Aleksandrova, E.V, Polikanov, Y.S.
Deposit date:2022-05-18
Release date:2022-10-19
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insights into the ribosome function from the structures of non-arrested ribosome-nascent chain complexes.
Nat.Chem., 15, 2023
8B7B
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BU of 8b7b by Molmil
Tubulin - maytansinoid - 6 complex
Descriptor: (~{Z})-11-[[(1~{R},2~{R},3~{S},5~{S},6~{S},16~{E},18~{E},20~{R},21~{S})-11-chloranyl-12,20-dimethoxy-2,5,9,16-tetramethyl-21-oxidanyl-8,23-bis(oxidanylidene)-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10(26),11,13,16,18-pentaen-6-yl]oxy]-11-oxidanylidene-undec-2-enoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Boiarska, Z, Perez-Pena, H, Abel, A.-C, Marzullo, P, Alvarez-Bernad, B, Bonato, F, Santini, B, Horvath, D, Lucena-Agell, D, Vasile, F, Sironi, M, Diaz, J.F, Steinmetz, M.O, Prota, A.E, Pieraccini, S, Passarella, D.
Deposit date:2022-09-29
Release date:2023-08-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Maytansinol Functionalization: Towards Useful Probes for Studying Microtubule Dynamics.
Chemistry, 29, 2023
8B7A
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BU of 8b7a by Molmil
Tubulin - maytansinoid - 4 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Boiarska, Z, Perez-Pena, H, Abel, A.-C, Marzullo, P, Alvarez-Bernad, B, Bonato, F, Santini, B, Horvath, D, Lucena-Agell, D, Vasile, F, Sironi, M, Diaz, F.J, Steinmetz, M.O, Prota, A.E, Piaraccini, S, Passarella, D.
Deposit date:2022-09-29
Release date:2023-08-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Maytansinol Functionalization: Towards Useful Probes for Studying Microtubule Dynamics.
Chemistry, 29, 2023
8B7C
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BU of 8b7c by Molmil
Tubulin-maytansinoid-12 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Boiarska, Z, Perez-Pena, H, Abel, A.-C, Marzullo, P, Alvarez-Bernad, B, Bonato, F, Santini, B, Horvath, D, Lucena-Agell, D, Vasile, F, Sironi, M, Diaz, J.F, Steinmetz, M.O, Prota, A.E, Pieraccini, S, Passarella, D.
Deposit date:2022-09-29
Release date:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Maytansinol Functionalization: Towards Useful Probes for Studying Microtubule Dynamics.
Chemistry, 29, 2023
8ATY
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BU of 8aty by Molmil
Crystal structure of PPAR gamma (PPARG) in complex with JP85 (compound 1).
Descriptor: 2-[4-chloranyl-6-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidin-2-yl]sulfanylethanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma
Authors:Chaikuad, A, Pollinger, J, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-08-24
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation.
J.Am.Chem.Soc., 145, 2023
6P8V
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BU of 6p8v by Molmil
Structure of E. coli MS115-1 HORMA:CdnC:Trip13 complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATPase, AAA family, ...
Authors:Ye, Q, Corbett, K.D.
Deposit date:2019-06-08
Release date:2019-12-25
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:HORMA Domain Proteins and a Trip13-like ATPase Regulate Bacterial cGAS-like Enzymes to Mediate Bacteriophage Immunity.
Mol.Cell, 77, 2020
8HFH
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BU of 8hfh by Molmil
CENP-E motor domain in complex with AMPPNP and Mg2+
Descriptor: Centromere-associated protein E, IMIDAZOLE, MAGNESIUM ION, ...
Authors:Shibuya, A, Yokoyama, H.
Deposit date:2022-11-10
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the motor domain of centromere-associated protein E in complex with a non-hydrolysable ATP analogue.
Febs Lett., 597, 2023
6G63
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BU of 6g63 by Molmil
RNase E in complex with sRNA RrpA
Descriptor: RNA (5'-R(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3'), Ribonuclease E, URIDINE-5'-MONOPHOSPHATE, ...
Authors:Bandyra, K.B, Luisi, B.F.
Deposit date:2018-03-31
Release date:2018-10-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.95 Å)
Cite:Substrate Recognition and Autoinhibition in the Central Ribonuclease RNase E.
Mol. Cell, 72, 2018
8G29
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BU of 8g29 by Molmil
Crystal structure of the A2503-C2,C8-dimethylated Thermus thermophilus 70S ribosome in complex with mRNA, aminoacylated A-site Phe-tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.55A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Aleksandrova, E.V, Wu, K.J.Y, Tresco, B.I.C, Syroegin, E.A, Killeavy, E.E, Balasanyants, S.M, Svetlov, M.S, Gregory, S.T, Atkinson, G.C, Myers, A.G, Polikanov, Y.S.
Deposit date:2023-02-03
Release date:2023-12-27
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis of Cfr-mediated antimicrobial resistance and mechanisms to evade it.
Nat.Chem.Biol., 20, 2024
8G2C
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BU of 8g2c by Molmil
Crystal structure of the A2503-C2,C8-dimethylated Thermus thermophilus 70S ribosome in complex with tylosin, mRNA, aminoacylated A-site Phe-tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.65A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Aleksandrova, E.V, Wu, K.J.Y, Tresco, B.I.C, Syroegin, E.A, Killeavy, E.E, Balasanyants, S.M, Svetlov, M.S, Gregory, S.T, Atkinson, G.C, Myers, A.G, Polikanov, Y.S.
Deposit date:2023-02-03
Release date:2023-12-27
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis of Cfr-mediated antimicrobial resistance and mechanisms to evade it.
Nat.Chem.Biol., 20, 2024
6ZPO
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BU of 6zpo by Molmil
bovine ATP synthase monomer state 1 (combined)
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Spikes, T.E, Montgomery, M.G, Walker, J.E.
Deposit date:2020-07-09
Release date:2020-09-09
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of the dimeric ATP synthase from bovine mitochondria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ZQN
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BU of 6zqn by Molmil
bovine ATP synthase monomer state 3 (combined)
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Spikes, T.E, Montgomery, M.G, Walker, J.E.
Deposit date:2020-07-10
Release date:2020-09-09
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of the dimeric ATP synthase from bovine mitochondria.
Proc.Natl.Acad.Sci.USA, 117, 2020
8G2B
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BU of 8g2b by Molmil
Crystal structure of the A2503-C2,C8-dimethylated Thermus thermophilus 70S ribosome in complex with iboxamycin, mRNA, deacylated A- and E-site tRNAphe, and aminoacylated P-site fMet-tRNAmet at 2.55A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Aleksandrova, E.V, Wu, K.J.Y, Tresco, B.I.C, Syroegin, E.A, Killeavy, E.E, Balasanyants, S.M, Svetlov, M.S, Gregory, S.T, Atkinson, G.C, Myers, A.G, Polikanov, Y.S.
Deposit date:2023-02-03
Release date:2023-12-27
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis of Cfr-mediated antimicrobial resistance and mechanisms to evade it.
Nat.Chem.Biol., 20, 2024
8G2D
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BU of 8g2d by Molmil
Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with tylosin, mRNA, deacylated A- and E-site tRNAphe, and deacylated P-site tRNAmet at 2.70A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Aleksandrova, E.V, Wu, K.J.Y, Tresco, B.I.C, Syroegin, E.A, Killeavy, E.E, Balasanyants, S.M, Svetlov, M.S, Gregory, S.T, Atkinson, G.C, Myers, A.G, Polikanov, Y.S.
Deposit date:2023-02-03
Release date:2023-12-27
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of Cfr-mediated antimicrobial resistance and mechanisms to evade it.
Nat.Chem.Biol., 20, 2024

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