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8INA
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BU of 8ina by Molmil
Crystal structure of UGT74AN3-UDP
Descriptor: GLYCEROL, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Long, F, Huang, W.
Deposit date:2023-03-09
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Substrate Promiscuity, Crystal Structure, and Application of a Plant UDP-Glycosyltransferase UGT74AN3
Acs Catalysis, 14, 2024
8ONQ
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BU of 8onq by Molmil
Structure of the amyloid-forming peptide Ac-EFIAWL from human GLP-1
Descriptor: Peptide Ac-EFIAWL from hGLP-1
Authors:Durvanger, Z.
Deposit date:2023-04-03
Release date:2023-08-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Polymorphic amyloid nanostructures of hormone peptides involved in glucose homeostasis display reversible amyloid formation.
Nat Commun, 14, 2023
8OKR
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BU of 8okr by Molmil
virus enhancing amyloid fibril formed by CKFKFQF
Descriptor: PNF-18
Authors:Heerde, T, Schmidt, M, Faendrich, M.
Deposit date:2023-03-29
Release date:2023-08-02
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Cryo-EM structure and polymorphic maturation of a viral transduction enhancing amyloid fibril.
Nat Commun, 14, 2023
8I7W
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BU of 8i7w by Molmil
Cryo-EM structure of GSK256073 bound human hydroxy-carboxylic acid receptor 2 in complex with Gi heterotrimer
Descriptor: 8-chloranyl-3-pentyl-7H-purine-2,6-dione, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Park, J.H, Ishimoto, N, Park, S.Y.
Deposit date:2023-02-02
Release date:2024-02-07
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Structural basis for ligand recognition and signaling of hydroxy-carboxylic acid receptor 2.
Nat Commun, 14, 2023
8OFN
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BU of 8ofn by Molmil
Structure of the yellow fever virus (Asibi strain) dimeric envelope protein
Descriptor: Envelope glycoprotein, SULFATE ION
Authors:Covernton, E, Vaney, M.C, Barba-Spaeth, G, Rey, F.A.
Deposit date:2023-03-16
Release date:2023-08-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.48 Å)
Cite:New insight into flavivirus maturation from structure/function studies of the yellow fever virus envelope protein complex.
Mbio, 14, 2023
8I7V
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BU of 8i7v by Molmil
Cryo-EM structure of Acipimox bound human hydroxy-carboxylic acid receptor 2 in complex with Gi heterotrimer
Descriptor: 5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Park, J.H, Ishimoto, N, Park, S.Y.
Deposit date:2023-02-02
Release date:2024-02-07
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Structural basis for ligand recognition and signaling of hydroxy-carboxylic acid receptor 2.
Nat Commun, 14, 2023
6N47
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BU of 6n47 by Molmil
The structure of SB-2-204-tubulin complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:Arnst, K, Banerjee, S, Wang, Y, Li, W, Miller, D, Li, W.
Deposit date:2018-11-17
Release date:2019-11-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:X-ray Crystal Structure Guided Discovery and Antitumor Efficacy of Dihydroquinoxalinone as Potent Tubulin Polymerization Inhibitors.
Acs Chem.Biol., 14, 2019
6N9P
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BU of 6n9p by Molmil
Discovery of affinity-based probes for Btk occupancy assay
Descriptor: N-(3-{[2-amino-3-(4-phenoxyphenyl)pyridin-4-yl]oxy}phenyl)propanamide, Tyrosine-protein kinase BTK
Authors:Mochalkin, I.
Deposit date:2018-12-03
Release date:2019-02-06
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Discovery of Affinity-Based Probes for Btk Occupancy Assays.
ChemMedChem, 14, 2019
6MWM
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BU of 6mwm by Molmil
Bat coronavirus HKU4 SUD-C
Descriptor: Non-structural protein 3
Authors:Staup, A.J, De Silva, I.U, Catt, J.T, Tan, X, Hammond, R.G, Johnson, M.A.
Deposit date:2018-10-29
Release date:2019-09-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of the SARS-Unique Domain C From the Bat Coronavirus HKU4.
Nat Prod Commun, 14, 2019
6MK5
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BU of 6mk5 by Molmil
Solution NMR structure of spider toxin analogue [F5A,M6F,T26L,K28R]GpTx-1
Descriptor: Toxin GTx1-15
Authors:Schroeder, C.I.
Deposit date:2018-09-25
Release date:2018-12-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Peptide-Membrane Interactions Affect the Inhibitory Potency and Selectivity of Spider Toxins ProTx-II and GpTx-1.
ACS Chem. Biol., 14, 2019
2I4N
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BU of 2i4n by Molmil
Rhodopseudomonas palustris prolyl-tRNA synthetase in complex with CysAMS
Descriptor: 5'-O-(N-(L-CYSTEINYL)-SULFAMOYL)ADENOSINE, Proline-tRNA ligase
Authors:Crepin, T, Yaremchuk, A, Tukalo, M, Cusack, S.
Deposit date:2006-08-22
Release date:2006-10-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structures of Two Bacterial Prolyl-tRNA Synthetases with and without a cis-Editing Domain.
Structure, 14, 2006
6NEM
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BU of 6nem by Molmil
3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one bound to influenza 2009 pH1N1 endonuclease
Descriptor: 3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one, MANGANESE (II) ION, Polymerase acidic protein, ...
Authors:Bauman, J.D, Arnold, E.
Deposit date:2018-12-17
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Aryl and Arylalkyl Substituted 3-Hydroxypyridin-2(1H)-ones: Synthesis and Evaluation as Inhibitors of Influenza A Endonuclease.
Chemmedchem, 14, 2019
2I4M
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BU of 2i4m by Molmil
Rhodopseudomonas palustris prolyl-tRNA synthetase in complex with ProAMS
Descriptor: '5'-O-(N-(L-PROLYL)-SULFAMOYL)ADENOSINE, Proline-tRNA ligase
Authors:Crepin, T, Yaremchuk, A, Tukalo, M, Cusack, S.
Deposit date:2006-08-22
Release date:2006-10-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of Two Bacterial Prolyl-tRNA Synthetases with and without a cis-Editing Domain.
Structure, 14, 2006
8ID1
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BU of 8id1 by Molmil
Crystal structure of N-Methyl-cis-4-hydroxy-L-proline dehydratase in Intestinibacter bartlettii
Descriptor: (2S,4S)-1-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid, Formate C-acetyltransferase
Authors:Jiang, L, Zhang, Y.
Deposit date:2023-02-11
Release date:2024-03-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.115 Å)
Cite:Glycyl Radical Enzymes Catalyzing the Dehydration of Two Isomers of N-Methyl-4-hydroxyproline
Acs Catalysis, 14, 2024
6NSP
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BU of 6nsp by Molmil
TRK-A IN COMPLEX WITH LIGAND 9
Descriptor: High affinity nerve growth factor receptor, N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Authors:Subramanian, G, Brown, D.G.
Deposit date:2019-01-25
Release date:2019-05-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Deciphering the Allosteric Binding Mechanism of the Human Tropomyosin Receptor Kinase A ( hTrkA) Inhibitors.
Acs Chem.Biol., 14, 2019
8ORK
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BU of 8ork by Molmil
cyclic 2,3-diphosphoglycerate synthetase from the hyperthermophilic archaeon Methanothermus fervidus
Descriptor: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ...
Authors:De Rose, S.A, Isupov, M.
Deposit date:2023-04-14
Release date:2023-12-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural characterization of a novel cyclic 2,3-diphosphoglycerate synthetase involved in extremolyte production in the archaeon Methanothermus fervidus .
Front Microbiol, 14, 2023
8OIF
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BU of 8oif by Molmil
Structure of the UBE1L activating enzyme bound to ISG15 and UBE2L6
Descriptor: ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ...
Authors:Wallace, I, Kheewoong, B, Prabu, J.R, Vollrath, R, von Gronau, S, Schulman, B.A, Swatek, K.N.
Deposit date:2023-03-22
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Insights into the ISG15 transfer cascade by the UBE1L activating enzyme.
Nat Commun, 14, 2023
8ORU
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BU of 8oru by Molmil
cyclic 2,3-diphosphoglycerate synthetase from the hyperthermophilic archaeon Methanothermus fervidus bound to 2,3-diphosphoglycerate and ADP.
Descriptor: (2R)-2,3-diphosphoglyceric acid, 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:De Rose, S.A, Isupov, M.
Deposit date:2023-04-17
Release date:2023-12-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural characterization of a novel cyclic 2,3-diphosphoglycerate synthetase involved in extremolyte production in the archaeon Methanothermus fervidus .
Front Microbiol, 14, 2023
8OH7
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BU of 8oh7 by Molmil
Structure of A4M4C bound to (KR)4 Solution backbone structure refined by PCS
Descriptor: Designed Armadillo repeat protein with four internal modules
Authors:Cucuzza, S, Zerbe, O.
Deposit date:2023-03-20
Release date:2023-12-13
Method:SOLUTION NMR
Cite:Unexpected dynamics in femtomolar complexes of binding proteins with peptides.
Nat Commun, 14, 2023
6NEL
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BU of 6nel by Molmil
4-(2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzoic acid bound to influenza 2009 pH1N1 endonuclease
Descriptor: 4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Bauman, J.D, Arnold, E.
Deposit date:2018-12-17
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Aryl and Arylalkyl Substituted 3-Hydroxypyridin-2(1H)-ones: Synthesis and Evaluation as Inhibitors of Influenza A Endonuclease.
Chemmedchem, 14, 2019
6NSS
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BU of 6nss by Molmil
TRK-A IN COMPLEX WITH LIGAND 6
Descriptor: High affinity nerve growth factor receptor, N-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)-2-(10H-phenoxazin-10-yl)acetamide
Authors:Subramanian, G, Brown, D.G.
Deposit date:2019-01-25
Release date:2019-05-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Deciphering the Allosteric Binding Mechanism of the Human Tropomyosin Receptor Kinase A ( hTrkA) Inhibitors.
Acs Chem.Biol., 14, 2019
6O1Q
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BU of 6o1q by Molmil
The N-terminal domain of NPHP1 folds into an antiparallel three-stranded coiled coil
Descriptor: Nephrocystin-1
Authors:Musco, G, Mannella, V.
Deposit date:2019-02-21
Release date:2019-08-14
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The N-Terminal Domain of NPHP1 Folds into a Monomeric Left-Handed Antiparallel Three-Stranded Coiled Coil with Anti-apoptotic Function.
Acs Chem.Biol., 14, 2019
8IP4
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BU of 8ip4 by Molmil
Cryo-EM structure of hMRS-highEDTA
Descriptor: CHLORIDE ION, MAGNESIUM ION, Magnesium transporter MRS2 homolog, ...
Authors:Li, M, Li, Y, Yang, X, Shen, Y.Q.
Deposit date:2023-03-14
Release date:2023-06-14
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Molecular basis of Mg 2+ permeation through the human mitochondrial Mrs2 channel.
Nat Commun, 14, 2023
2I4L
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BU of 2i4l by Molmil
Rhodopseudomonas palustris prolyl-tRNA synthetase
Descriptor: Proline-tRNA ligase
Authors:Crepin, T, Yaremchuk, A, Tukalo, M, Cusack, S.
Deposit date:2006-08-22
Release date:2006-10-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Two Bacterial Prolyl-tRNA Synthetases with and without a cis-Editing Domain.
Structure, 14, 2006
8IXS
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BU of 8ixs by Molmil
Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for Treatment of Chronic Kidney Disease
Descriptor: (2R,3S)-3-[[(2S)-2-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid, Kelch-like ECH-associated protein 1, SULFATE ION
Authors:Nomura, A, Yamaguchi, K, Adachi, T.
Deposit date:2023-04-03
Release date:2023-06-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor.
Acs Med.Chem.Lett., 14, 2023

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