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7VKH
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BU of 7vkh by Molmil
Crystal structure of AF9 YEATS domain in complex with hit 2
Descriptor: GLYCEROL, Protein AF-9, ~{N}-(3-azanyl-4-chloranyl-phenyl)-2-methoxy-ethanamide
Authors:Liu, Y, Ruan, K.
Deposit date:2021-09-30
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Fragment-Based Discovery of AF9 YEATS Domain Inhibitors.
Int J Mol Sci, 23, 2022
7VKG
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BU of 7vkg by Molmil
Crystal structure of AF9 YEATS domain in complex with Compound 10
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Protein AF-9, ...
Authors:Liu, Y, Ruan, K.
Deposit date:2021-09-29
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Fragment-Based Discovery of AF9 YEATS Domain Inhibitors.
Int J Mol Sci, 23, 2022
7W26
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BU of 7w26 by Molmil
monolignol ferulate transferase
Descriptor: Ferulate monolignol transferase
Authors:Xi, L, Shuliu, D, Yue, F, Yi, Z.
Deposit date:2021-11-22
Release date:2022-03-30
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Crystal structure of the plant feruloyl-coenzyme A monolignol transferase provides insights into the formation of monolignol ferulate conjugates.
Biochem.Biophys.Res.Commun., 594, 2022
3SRU
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BU of 3sru by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
Descriptor: Dihydrofolate reductase, N-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hilgers, M.
Deposit date:2011-07-07
Release date:2011-08-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
8TXH
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BU of 8txh by Molmil
Crystal structure of KRAS G12D in complex with GDP and compound 14
Descriptor: (4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Chen, P, Irimia, A, Yang, Z.
Deposit date:2023-08-23
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8TXG
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BU of 8txg by Molmil
Crystal structure of KRAS G12D in complex with GDP and compound 8
Descriptor: (4M)-4-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Chen, P, Irimia, A, Yang, Z.
Deposit date:2023-08-23
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8TXE
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BU of 8txe by Molmil
Crystal structure of KRAS G12D in complex with GDP and compound 5
Descriptor: (6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Chen, P, Irimia, A, Yang, Z.
Deposit date:2023-08-23
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8VAW
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BU of 8vaw by Molmil
Magnesium catalyzed primer extension product with 14mer primer and mixed phosphorothioate activated G monomer
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, Magnesium catalyzed nonenzymatic RNA primer extension product
Authors:Fang, Z, Szostak, J.W.
Deposit date:2023-12-11
Release date:2024-04-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Catalytic Metal Ion-Substrate Coordination during Nonenzymatic RNA Primer Extension.
J.Am.Chem.Soc., 146, 2024
8VAX
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BU of 8vax by Molmil
Cadmium catalyzed primer extension product with 14mer primer and mixed phosphorothioate activated G monomer
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, Cadmium catalyzed nonenzymatic RNA primer extension product, MAGNESIUM ION
Authors:Fang, Z, Szostak, J.W.
Deposit date:2023-12-11
Release date:2024-04-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.417 Å)
Cite:Catalytic Metal Ion-Substrate Coordination during Nonenzymatic RNA Primer Extension.
J.Am.Chem.Soc., 146, 2024
8UQP
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BU of 8uqp by Molmil
Escherichia coli transcription-translation coupled complex class B (TTC-B) containing RfaH bound to ops signal, mRNA with a 24 nt long spacer, and fMet-tRNAs in E-site and P-site of the ribosome
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
Authors:Molodtsov, V, Wang, C, Ebright, R.H.
Deposit date:2023-10-24
Release date:2024-05-29
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis of RfaH-mediated transcription-translation coupling.
Nat.Struct.Mol.Biol., 2024
8UQL
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BU of 8uql by Molmil
Escherichia coli transcription-translation coupled complex class B (TTC-B) containing RfaH in loaded state, mRNA with a 24 nt long spacer, and fMet-tRNAs in E-site and P-site of the ribosome
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
Authors:Molodtsov, V, Wang, C, Ebright, R.H.
Deposit date:2023-10-24
Release date:2024-05-29
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of RfaH-mediated transcription-translation coupling.
Nat.Struct.Mol.Biol., 2024
8UQM
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BU of 8uqm by Molmil
Escherichia coli transcription-translation coupled complex class B (TTC-B) containing RfaH in loaded state, NusA, mRNA with a 24 nt long spacer, and fMet-tRNAs in E-site and P-site of the ribosome
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
Authors:Molodtsov, V, Wang, C, Ebright, R.H.
Deposit date:2023-10-24
Release date:2024-05-29
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (5.3 Å)
Cite:Structural basis of RfaH-mediated transcription-translation coupling.
Nat.Struct.Mol.Biol., 2024
8URH
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BU of 8urh by Molmil
Escherichia coli transcription-translation coupled complex class B (TTC-B) containing RfaH bound to ops signal, mRNA with a 27 nt long spacer, and fMet-tRNAs in E-site and P-site of the ribosome
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
Authors:Molodtsov, V, Wang, C, Ebright, R.H.
Deposit date:2023-10-26
Release date:2024-05-29
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Structural basis of RfaH-mediated transcription-translation coupling.
Nat.Struct.Mol.Biol., 2024
8UPO
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BU of 8upo by Molmil
Escherichia coli transcription-translation coupled complex class A (TTC-A) containing RfaH bound to ops signal, mRNA with a 21 nt long spacer, and fMet-tRNAs in E-site and P-site of the ribosome
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
Authors:Molodtsov, V, Wang, C, Ebright, R.H.
Deposit date:2023-10-23
Release date:2024-05-29
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (5.5 Å)
Cite:Structural basis of RfaH-mediated transcription-translation coupling.
Nat.Struct.Mol.Biol., 2024
8URX
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BU of 8urx by Molmil
Escherichia coli transcription-translation coupled complex class B (TTC-B) containing RfaH bound to ops signal, mRNA with a 30 nt long spacer, and fMet-tRNAs in E-site and P-site of the ribosome
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
Authors:Molodtsov, V, Wang, C, Ebright, R.H.
Deposit date:2023-10-27
Release date:2024-05-29
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Structural basis of RfaH-mediated transcription-translation coupling.
Nat.Struct.Mol.Biol., 2024
8URI
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BU of 8uri by Molmil
Escherichia coli transcription-translation coupled complex class B (TTC-B) containing RfaH bound to ops signal, NusA, mRNA with a 27 nt long spacer, and fMet-tRNAs in E-site and P-site of the ribosome
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
Authors:Molodtsov, V, Wang, C, Ebright, R.H.
Deposit date:2023-10-26
Release date:2024-05-29
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (5.3 Å)
Cite:Structural basis of RfaH-mediated transcription-translation coupling.
Nat.Struct.Mol.Biol., 2024
8UPR
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BU of 8upr by Molmil
Escherichia coli transcription-translation coupled complex class A (TTC-A) containing RfaH bound to ops signal, mRNA with a 21 nt long spacer, and fMet-tRNAs in E-site and P-site of the ribosome
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
Authors:Molodtsov, V, Wang, C, Ebright, R.H.
Deposit date:2023-10-23
Release date:2024-05-29
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (5.3 Å)
Cite:Structural basis of RfaH-mediated transcription-translation coupling.
Nat.Struct.Mol.Biol., 2024
8UR0
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BU of 8ur0 by Molmil
Escherichia coli transcription-translation coupled complex class B (TTC-B) containing RfaH bound to ops signal, NusA, mRNA with a 24 nt long spacer, and fMet-tRNAs in E-site and P-site of the ribosome
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
Authors:Molodtsov, V, Wang, C, Ebright, R.H.
Deposit date:2023-10-25
Release date:2024-05-29
Last modified:2024-09-25
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of RfaH-mediated transcription-translation coupling.
Nat.Struct.Mol.Biol., 2024
8URY
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BU of 8ury by Molmil
Escherichia coli transcription-translation coupled complex class B (TTC-B) containing RfaH bound to ops signal, NusA, mRNA with a 30 nt long spacer, and fMet-tRNA in E-site and P-site of the ribosome
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S11, ...
Authors:Molodtsov, V, Wang, C, Ebright, R.H.
Deposit date:2023-10-27
Release date:2024-06-12
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of RfaH-mediated transcription-translation coupling.
Nat.Struct.Mol.Biol., 2024
3U9Q
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BU of 3u9q by Molmil
Ligand binding domain of PPARgamma complexed with Decanoic Acid and PGC-1a peptide
Descriptor: DECANOIC ACID, PGC-1a peptide, Peroxisome proliferator-activated receptor gamma
Authors:Malapaka, V.R, Xu, H.E.
Deposit date:2011-10-19
Release date:2011-11-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.522 Å)
Cite:Identification and Mechanism of 10-Carbon Fatty Acid as Modulating Ligand of Peroxisome Proliferator-activated Receptors.
J.Biol.Chem., 287, 2012
8SIJ
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BU of 8sij by Molmil
Crystal structure of F. varium tryptophanase
Descriptor: CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Tryptophanase 1, ...
Authors:Graboski, A.L, Redinbo, M.R.
Deposit date:2023-04-16
Release date:2023-08-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate.
Cell Chem Biol, 30, 2023
8SL7
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BU of 8sl7 by Molmil
Butyricicoccus sp. BIOML-A1 tryptophanase complex with (3S) ALG-05
Descriptor: (E)-3-[(3S)-3-chloro-2-oxo-2,3-dihydro-1H-indol-3-yl]-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine, Tryptophanase
Authors:Graboski, A.L, Redinbo, M.R.
Deposit date:2023-04-21
Release date:2023-08-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate.
Cell Chem Biol, 30, 2023
7YH8
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BU of 7yh8 by Molmil
Crystal structure of a heterochiral protein complex
Descriptor: D-Pep-1, L-19437
Authors:Liang, M, Li, S, Wang, T, Liu, L, Lu, P.
Deposit date:2022-07-13
Release date:2023-07-19
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Accurate de novo design of heterochiral protein-protein interactions
Cell Res., 2024
7KOV
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BU of 7kov by Molmil
Crystal structure of Azotobacter vinelandii 3-mercaptopropionic acid dioxygenase in complex with thiocyanate
Descriptor: CHLORIDE ION, Cysteine dioxygenase type I protein, FE (III) ION, ...
Authors:Kiser, P.D.
Deposit date:2020-11-10
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure of 3-mercaptopropionic acid dioxygenase with a substrate analog reveals bidentate substrate binding at the iron center.
J.Biol.Chem., 296, 2021
7LUR
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BU of 7lur by Molmil
Stable Effector Functionless 2 (SEFL2) IgG1 Fc Scaffold Bound to a Minimized Version of the B-domain (Mini-Z) from Protein A Called Z34C
Descriptor: Immunoglobulin heavy constant gamma 1, Mini Z domain
Authors:Sudom, A, Garces, F, Wang, Z.
Deposit date:2021-02-23
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Next generation Fc scaffold for multispecific antibodies.
Iscience, 24, 2021

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