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8SVB
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BU of 8svb by Molmil
Antimicrobial lasso peptide achromonodin-1
Descriptor: Achromonodin-1
Authors:Carson, D.V, Cheung-Lee, W.L, So, L, Link, A.J.
Deposit date:2023-05-16
Release date:2023-10-11
Last modified:2023-12-06
Method:SOLUTION NMR
Cite:Discovery, Characterization, and Bioactivity of the Achromonodins: Lasso Peptides Encoded by Achromobacter .
J.Nat.Prod., 86, 2023
8SVA
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BU of 8sva by Molmil
Structure of the Rhodococcus sp. USK13 DarR-20 bp DNA complex
Descriptor: DNA (5'-D(*TP*AP*GP*AP*TP*AP*CP*TP*CP*CP*GP*GP*AP*GP*TP*AP*TP*CP*TP*A)-3'), PHOSPHATE ION, TetR/AcrR family transcriptional regulator
Authors:Schumacher, M.A.
Deposit date:2023-05-15
Release date:2023-11-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Structures of the DarR transcription regulator reveal unique modes of second messenger and DNA binding.
Nat Commun, 14, 2023
8SV9
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BU of 8sv9 by Molmil
Crystal structure of ULK1 kinase domain with inhibitor MR-2088
Descriptor: (4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide, 1,2-ETHANEDIOL, SULFATE ION, ...
Authors:Schonbrunn, E, Sun, L.
Deposit date:2023-05-15
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of potent and selective ULK1/2 inhibitors based on 7-azaindole scaffold with favorable in vivo properties.
Eur.J.Med.Chem., 266, 2024
8SV8
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BU of 8sv8 by Molmil
Cryo-EM structure of a double loaded human UBA7-UBE2L6-ISG15 thioester mimetic complex from a composite map
Descriptor: ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ...
Authors:Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K.
Deposit date:2023-05-15
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer.
Nat Commun, 14, 2023
8SV7
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BU of 8sv7 by Molmil
The 1.53 Angstrom structure of human Tango2
Descriptor: SULFATE ION, Transport and Golgi organization protein 2 homolog
Authors:Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
Deposit date:2023-05-15
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:The crystal structure of human Tango2, a heme transport protein determined to 1.53 Angstroms resolution
To be published
8SV6
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BU of 8sv6 by Molmil
Structure of the M. smegmatis DarR protein
Descriptor: Fatty acid metabolism regulator protein
Authors:Schumacher, M.A.
Deposit date:2023-05-15
Release date:2023-11-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.56 Å)
Cite:Structures of the DarR transcription regulator reveal unique modes of second messenger and DNA binding.
Nat Commun, 14, 2023
8SV5
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BU of 8sv5 by Molmil
Crystal structure of Bacillus anthracis dihydroneopterin aldolase in complex with 6-hydroxymethyl-7,8-dihydropterin
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 7,8-dihydroneopterin aldolase
Authors:Shaw, G.X, Li, Y, Yan, H, Ji, X.
Deposit date:2023-05-15
Release date:2023-06-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of Bacillus anthracis dihydroneopterin aldolase in complex with 6-hydroxymethyl-7,8-dihydropterin
To be published
8SV4
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BU of 8sv4 by Molmil
7-Deazapurines and 5-Halogenpyrimidine DNA duplex
Descriptor: 1,2-ETHANEDIOL, 2-[2-(2-ethoxyethoxy)ethoxy]ethanol, ACETATE ION, ...
Authors:Pallan, P.S, Egli, M.
Deposit date:2023-05-15
Release date:2023-10-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conformational Morphing by a DNA Analogue Featuring 7-Deazapurines and 5-Halogenpyrimidines and the Origins of Adenine-Tract Geometry.
Biochemistry, 62, 2023
8SV3
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BU of 8sv3 by Molmil
7-Deazapurines and 5-Halogenpyrimidine DNA duplex
Descriptor: GLYCEROL, MAGNESIUM ION, Modified DNA, ...
Authors:Pallan, P.S, Egli, M.
Deposit date:2023-05-15
Release date:2023-10-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Conformational Morphing by a DNA Analogue Featuring 7-Deazapurines and 5-Halogenpyrimidines and the Origins of Adenine-Tract Geometry.
Biochemistry, 62, 2023
8SV2
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BU of 8sv2 by Molmil
Pasteurella multocida alpha2,3/2,6 sialyltransferase D141N bound to CMP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-2,3/2,6-sialyltransferase/sialidase, CYTIDINE-5'-MONOPHOSPHATE, ...
Authors:Stubbs, H.E, Iverson, T.M.
Deposit date:2023-05-15
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Pasteurella multocida alpha2,3/2,6 sialyltransferase D141N bound to CMP
To Be Published
8SV1
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BU of 8sv1 by Molmil
Caspase-1 complex with interleukin-18
Descriptor: Caspase-1, Interleukin-18
Authors:Dong, Y, Pascal, D, Jon, K, Wu, H.
Deposit date:2023-05-15
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Caspase-1 complex with interleukin-18
To Be Published
8SV0
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BU of 8sv0 by Molmil
The crystal structure of the classical binding interface of Importin alpha 2 and nuclear localisation signal sequence in Psittacine siadenovirus core protein VII
Descriptor: Importin subunit alpha-1, SODIUM ION, protein VII
Authors:Athukorala, A, Sarker, S, Forwood, J.K, Donnelly, C.M.
Deposit date:2023-05-14
Release date:2023-05-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional characterization of nuclear localization signal of pVII protein of psittacine siadenovirus F demonstrates an independent transport of pVII protein into the nucleus
To Be Published
8SUZ
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BU of 8suz by Molmil
Open State of the SARS-CoV-2 Envelope Protein Transmembrane Domain, Determined by Solid-State NMR
Descriptor: Envelope small membrane protein
Authors:Medeiros-Silva, J, Dregni, A.J, Somberg, N.H, Hong, M.
Deposit date:2023-05-14
Release date:2023-10-25
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Atomic structure of the open SARS-CoV-2 E viroporin.
Sci Adv, 9, 2023
8SUX
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BU of 8sux by Molmil
Structure of E. coli PtuA hexamer
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, PtuA
Authors:Shen, Z.F, Yang, X.Y, Fu, T.M.
Deposit date:2023-05-13
Release date:2024-01-10
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:PtuA and PtuB assemble into an inflammasome-like oligomer for anti-phage defense.
Nat.Struct.Mol.Biol., 31, 2024
8SUW
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BU of 8suw by Molmil
E. coli SIR2-HerA complex (dodecamer SIR2 bound 4 protomers of HerA)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside triphosphate hydrolase, ...
Authors:Shen, Z.F, Lin, Q.P, Fu, T.M.
Deposit date:2023-05-13
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Assembly-mediated activation of the SIR2-HerA supramolecular complex for anti-phage defense.
Mol.Cell, 83, 2023
8SUV
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BU of 8suv by Molmil
CHIP-TPR in complex with the C-terminus of CHIC2
Descriptor: Cysteine-rich hydrophobic domain-containing protein 2, E3 ubiquitin-protein ligase CHIP, SULFATE ION
Authors:Cupo, A.R, McDermott, L.E, DeSilva, A.R, Callahan, M, Nix, J.C, Gestwicki, J.E, Page, R.C.
Deposit date:2023-05-13
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Interaction with the membrane-anchored protein CHIC2 constrains the ubiquitin ligase activity of CHIP
Biorxiv, 2023
8SUU
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BU of 8suu by Molmil
Crystal structure of YisK from Bacillus subtilis in apo form
Descriptor: Fumarylacetoacetate hydrolase family protein, MANGANESE (II) ION
Authors:Krieger, I.V, Chemelewski, V, Guo, T, Sperber, A, Herman, J, Sacchettini, J.C.
Deposit date:2023-05-13
Release date:2023-11-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Bacillus subtilis YisK possesses oxaloacetate decarboxylase activity and exhibits Mbl-dependent localization.
J.Bacteriol., 206, 2024
8SUT
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BU of 8sut by Molmil
Crystal structure of YisK from Bacillus subtilis in complex with reaction product 4-Hydroxy-2-oxoglutaric acid
Descriptor: (2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid, Fumarylacetoacetate hydrolase family protein, MANGANESE (II) ION
Authors:Krieger, I.V, Chemelewski, V, Guo, T, Sperber, A, Herman, J, Sacchettini, J.C.
Deposit date:2023-05-13
Release date:2023-11-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Bacillus subtilis YisK possesses oxaloacetate decarboxylase activity and exhibits Mbl-dependent localization.
J.Bacteriol., 206, 2024
8SUR
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BU of 8sur by Molmil
TMEM16F bound with Niclosamide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide, ...
Authors:Feng, S, Cheng, Y.
Deposit date:2023-05-13
Release date:2023-09-06
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase.
Nat Commun, 14, 2023
8SUO
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BU of 8suo by Molmil
BA.2/AZD1061/AZD3152 structure analysis
Descriptor: AZD1061 heavy chain, AZD1061 light chain, AZD3152 heavy chain, ...
Authors:Oganesyan, V, van Dyk, N, Dippel, A, Barnes, A, O'Connor, E.
Deposit date:2023-05-12
Release date:2024-05-15
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:X-ray crystal structure of BA.2 RBD bound by two neutralizing antibodies
To Be Published
8SUN
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BU of 8sun by Molmil
TMEM16F 1PBC
Descriptor: 1-Hydroxy-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, Anoctamin-6, ...
Authors:Wu, H, Feng, S, Cheng, Y.
Deposit date:2023-05-12
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase.
Nat Commun, 14, 2023
8SUK
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BU of 8suk by Molmil
Structure of Rhodococcus sp. USK13 DarR-c-di-AMP complex
Descriptor: DNA (5'-D(*AP*A)-3'), DarR, SULFATE ION
Authors:Schumacher, M.A.
Deposit date:2023-05-12
Release date:2023-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structures of the DarR transcription regulator reveal unique modes of second messenger and DNA binding.
Nat Commun, 14, 2023
8SUJ
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BU of 8suj by Molmil
Joint X-ray/neutron structure of Thermus thermophilus serine hydroxymethyltransferase (TthSHMT) in internal aldimine state
Descriptor: SULFATE ION, Serine hydroxymethyltransferase
Authors:Drago, V.N, Kovalevsky, A.
Deposit date:2023-05-12
Release date:2023-08-16
Last modified:2023-11-15
Method:NEUTRON DIFFRACTION (2.3 Å), X-RAY DIFFRACTION
Cite:Revealing protonation states and tracking substrate in serine hydroxymethyltransferase with room-temperature X-ray and neutron crystallography.
Commun Chem, 6, 2023
8SUI
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BU of 8sui by Molmil
Joint X-ray/neutron structure of Thermus thermophilus serine hydroxymethyltransferase (TthSHMT) in internal aldimine state with L-Ser bound in a pre-Michalis complex
Descriptor: SERINE, SULFATE ION, Serine hydroxymethyltransferase
Authors:Drago, V.N, Kovalevsky, A.
Deposit date:2023-05-12
Release date:2023-08-16
Last modified:2023-11-15
Method:NEUTRON DIFFRACTION (2.3 Å), X-RAY DIFFRACTION
Cite:Revealing protonation states and tracking substrate in serine hydroxymethyltransferase with room-temperature X-ray and neutron crystallography.
Commun Chem, 6, 2023
8SUG
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BU of 8sug by Molmil
Cryo-EM structure of the wild type P. aeruginosa flagellar filament
Descriptor: B-type flagellin
Authors:Kreutzberger, M.A, Nedeljkovic, M, Egelman, E.H, Sundberg, E.J.
Deposit date:2023-05-12
Release date:2023-06-14
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:An unbroken network of interactions connecting flagellin domains is required for motility in viscous environments.
Plos Pathog., 19, 2023

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