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7AZS
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BU of 7azs by Molmil
70S thermus thermophilus ribosome with bound antibiotic lead SEQ-569
Descriptor: (2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-2-((S)-1-(((2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-10-(((2S,3R,6R,E)-3-hydroxy-4-(methoxyimino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-7-(((2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)carbamoyl)oxy)-6,14-dioxooxacyclotetradecan-4-yl 3-methylbutanoate, 16S rRNA, 23S rRNA, ...
Authors:Jenner, L.B, Yusupov, M, Yusupova, G, Rak, A.
Deposit date:2020-11-17
Release date:2022-06-08
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents.
Cell, 186, 2023
6RX8
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BU of 6rx8 by Molmil
EDDS lyase variant D290M/Y320M with bound fumarate
Descriptor: Argininosuccinate lyase, FUMARIC ACID, SODIUM ION
Authors:Grandi, E, Poelarends, G.J, Thunnissen, A.M.W.H.
Deposit date:2019-06-07
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Engineered C-N Lyase: Enantioselective Synthesis of Chiral Synthons for Artificial Dipeptide Sweeteners.
Angew.Chem.Int.Ed.Engl., 59, 2020
6RXA
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BU of 6rxa by Molmil
EDDS lyase variant D290M/Y320M with bound formate
Descriptor: Argininosuccinate lyase, FORMIC ACID, GLYCEROL, ...
Authors:Grandi, E, Poelarends, G.J, Thunnissen, A.M.W.H.
Deposit date:2019-06-07
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Engineered C-N Lyase: Enantioselective Synthesis of Chiral Synthons for Artificial Dipeptide Sweeteners.
Angew.Chem.Int.Ed.Engl., 59, 2020
7AMT
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BU of 7amt by Molmil
Structure of LuxR with DNA (activation)
Descriptor: DNA (5'-D(P*AP*TP*AP*AP*TP*GP*AP*CP*AP*TP*TP*AP*CP*TP*GP*TP*AP*TP*AP*TP*A)-3'), DNA (5'-D(P*TP*AP*TP*AP*TP*AP*CP*AP*GP*TP*AP*AP*TP*GP*TP*CP*AP*TP*TP*AP*T)-3'), HTH-type transcriptional regulator LuxR
Authors:Liu, B, Reverter, D.
Deposit date:2020-10-09
Release date:2021-03-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression.
Nucleic Acids Res., 49, 2021
7AMN
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BU of 7amn by Molmil
Structure of LuxR with DNA (repression)
Descriptor: DNA (5'-D(P*TP*AP*TP*TP*GP*AP*TP*AP*AP*AP*AP*TP*TP*AP*TP*CP*AP*AP*TP*AP*A)-3'), DNA (5'-D(P*TP*TP*AP*TP*TP*GP*AP*TP*AP*AP*TP*TP*TP*TP*AP*TP*CP*AP*AP*TP*A)-3'), HTH-type transcriptional regulator LuxR
Authors:Liu, B, Reverter, D.
Deposit date:2020-10-09
Release date:2021-03-31
Last modified:2021-04-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression.
Nucleic Acids Res., 49, 2021
5EJD
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BU of 5ejd by Molmil
The crystal structure of holo T3CT
Descriptor: 4'-PHOSPHOPANTETHEINE, GLYCEROL, TqaA
Authors:Zhang, J.R, Tang, Y, Zhou, J.H.
Deposit date:2015-11-01
Release date:2016-10-19
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural basis of nonribosomal peptide macrocyclization in fungi
Nat.Chem.Biol., 12, 2016
5EGF
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BU of 5egf by Molmil
The crystal structure of SeMet-CT
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, TqaA
Authors:Zhang, J.R, Tang, Y, Zhou, J.H.
Deposit date:2015-10-27
Release date:2016-10-19
Last modified:2020-02-19
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural basis of nonribosomal peptide macrocyclization in fungi
Nat.Chem.Biol., 12, 2016
7YK4
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BU of 7yk4 by Molmil
ox40-antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor receptor superfamily member 4, antibody-H, ...
Authors:Zhou, A.
Deposit date:2022-07-21
Release date:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis of a Novel Agonistic Anti-OX40 Antibody.
Biomolecules, 12, 2022
6LMR
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BU of 6lmr by Molmil
Solution structure of cold shock domain and ssDNA complex
Descriptor: DNA (5'-D(P*AP*AP*CP*AP*CP*CP*T)-3'), Y-box-binding protein 1
Authors:Fan, J, Yang, D.
Deposit date:2019-12-26
Release date:2020-07-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis of DNA binding to human YB-1 cold shock domain regulated by phosphorylation.
Nucleic Acids Res., 48, 2020
6Q9N
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BU of 6q9n by Molmil
Crystal structure of PBP2a from MRSA in complex with piperacillin and quinazolinone
Descriptor: 3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid, CADMIUM ION, CHLORIDE ION, ...
Authors:Martinez-Caballero, S, Batuecas, M.T, Hermoso, J.A.
Deposit date:2018-12-18
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Quinazolinone Allosteric Inhibitor of PBP 2a Synergizes with Piperacillin and Tazobactam against Methicillin-Resistant Staphylococcus aureus.
Antimicrob.Agents Chemother., 63, 2019
8AG1
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BU of 8ag1 by Molmil
Crystal structure of a novel OX40 antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Novel OX40 antibody heavy chain, Novel OX40 antibody light chain, ...
Authors:Gao, H, Zhou, A.
Deposit date:2022-07-19
Release date:2023-07-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.303 Å)
Cite:Structural Basis of a Novel Agonistic Anti-OX40 Antibody.
Biomolecules, 12, 2022
8HKQ
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BU of 8hkq by Molmil
ion channel
Descriptor: POTASSIUM ION, Potassium channel subfamily T member 1, SODIUM ION, ...
Authors:Jiang, D.H, Zhang, J.T.
Deposit date:2022-11-27
Release date:2023-08-16
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
8HKK
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BU of 8hkk by Molmil
ion channel
Descriptor: POTASSIUM ION, Potassium channel subfamily T member 1, SODIUM ION, ...
Authors:Jiang, D.H, Zhang, J.T.
Deposit date:2022-11-27
Release date:2023-08-16
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
8HIR
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BU of 8hir by Molmil
potassium channels
Descriptor: POTASSIUM ION, Potassium channel subfamily T member 1, SODIUM ION, ...
Authors:Jiang, D.H, Zhang, J.T.
Deposit date:2022-11-21
Release date:2023-08-16
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
8HKM
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BU of 8hkm by Molmil
ion channel
Descriptor: POTASSIUM ION, Potassium channel subfamily T member 1, ZINC ION, ...
Authors:Jiang, D.H, Zhang, J.T.
Deposit date:2022-11-27
Release date:2023-08-16
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
8HK6
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BU of 8hk6 by Molmil
potassium channel
Descriptor: POTASSIUM ION, Potassium channel subfamily T member 1, ZINC ION
Authors:Jiang, D.H, Zhang, J.T.
Deposit date:2022-11-25
Release date:2023-08-16
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
8HKF
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BU of 8hkf by Molmil
ion channel
Descriptor: POTASSIUM ION, Potassium channel subfamily T member 1, ZINC ION
Authors:Jiang, D.H, Zhang, Z.T.
Deposit date:2022-11-25
Release date:2023-08-16
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
6H5O
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BU of 6h5o by Molmil
Crystal structure of PBP2a from MRSA in complex with piperacillin at active site.
Descriptor: CADMIUM ION, Penicillin binding protein 2 prime, Piperacillin (Open Form)
Authors:Batuecas, M.T, Martinez-Caballero, S, Hermoso, J.A.
Deposit date:2018-07-25
Release date:2019-08-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:The Quinazolinone Allosteric Inhibitor of PBP 2a Synergizes with Piperacillin and Tazobactam against Methicillin-Resistant Staphylococcus aureus.
Antimicrob.Agents Chemother., 63, 2019
3K5V
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BU of 3k5v by Molmil
Structure of Abl kinase in complex with imatinib and GNF-2
Descriptor: 3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, ...
Authors:Cowan-Jacob, S.W, Fendrich, G, Rummel, G, Strauss, A.
Deposit date:2009-10-08
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Targeting Bcr-Abl by combining allosteric with ATP-binding-site inhibitors.
Nature, 463, 2010
2XVO
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BU of 2xvo by Molmil
SSO1725, a protein involved in the CRISPR/Cas pathway
Descriptor: BETA-MERCAPTOETHANOL, SSO1725, SULFATE ION
Authors:Reeks, J, Liu, H, Naismith, J, White, M, McMahon, S.
Deposit date:2010-10-26
Release date:2010-12-29
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure and Mechanism of the Cmr Complex for Crispr-Mediated Antiviral Immunity.
Mol.Cell, 45, 2012
4ZHK
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BU of 4zhk by Molmil
Crystal structure of RPE65 in complex with MB-002
Descriptor: (1R)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol, (1S)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol, FE (II) ION, ...
Authors:Kiser, P.D, Palczewski, K.
Deposit date:2015-04-25
Release date:2015-05-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Molecular pharmacodynamics of emixustat in protection against retinal degeneration.
J.Clin.Invest., 125, 2015
1N8R
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BU of 1n8r by Molmil
Structure of large ribosomal subunit in complex with virginiamycin M
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L10e, 50S ribosomal protein L13P, ...
Authors:Hansen, J.L, Moore, P.B, Steitz, T.A.
Deposit date:2002-11-21
Release date:2003-07-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of Five Antibiotics Bound at the Peptidyl Transferase Center of the Large Ribosomal Subunit
J.Mol.Biol., 330, 2003
1NJI
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BU of 1nji by Molmil
Structure of chloramphenicol bound to the 50S ribosomal subunit
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L10e, 50S ribosomal protein L13P, ...
Authors:Hansen, J.L, Moore, P.B, Steitz, T.A.
Deposit date:2002-12-31
Release date:2003-07-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of Five Antibiotics Bound at the Peptidyl Transferase Center of the Large Ribosomal Subunit
J.Mol.Biol., 330, 2003
5M62
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BU of 5m62 by Molmil
Structure of the Mus musclus Langerin carbohydrate recognition domain in complex with glucose
Descriptor: C-type lectin domain family 4 member K, CALCIUM ION, GLYCEROL, ...
Authors:Loll, B, Aretz, J, Rademacher, C, Wahl, M.C.
Deposit date:2016-10-24
Release date:2016-12-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Bacterial Polysaccharide Specificity of the Pattern Recognition Receptor Langerin Is Highly Species-dependent.
J. Biol. Chem., 292, 2017
7KGY
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BU of 7kgy by Molmil
Beta-glucuronidase from Faecalibacterium prausnitzii bound to the inhibitor UNC10201652-glucuronide
Descriptor: 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline, Beta-glucuronidase, GLYCEROL
Authors:Simpson, J.B, Redinbo, M.R.
Deposit date:2020-10-19
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Microbial enzymes induce colitis by reactivating triclosan in the mouse gastrointestinal tract.
Nat Commun, 13, 2022

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