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6EXP
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BU of 6exp by Molmil
Crystal structure of the SIRV3 AcrID1 (gp02) anti-CRISPR protein
Descriptor: SIRV3 AcrID1 (gp02) anti-CRISPR protein
Authors:He, F, Bhoobalan-Chitty, Y, Van, L.B, Kjeldsen, A.L, Dedola, M, Makarova, K.S, Koonin, E.V, Brodersen, D.E, Peng, X.
Deposit date:2017-11-08
Release date:2018-01-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Anti-CRISPR proteins encoded by archaeal lytic viruses inhibit subtype I-D immunity.
Nat Microbiol, 3, 2018
8IUG
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BU of 8iug by Molmil
Cryo-EM structure of the RC-LH core complex from roseiflexus castenholzii
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2-O-octyl-beta-D-glucopyranose, ...
Authors:Wang, G.-L, Qi, C.-H, Yu, L.-J.
Deposit date:2023-03-24
Release date:2023-11-22
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:New insights on the photocomplex of Roseiflexus castenholzii revealed from comparisons of native and carotenoid-depleted complexes.
J.Biol.Chem., 299, 2023
6P58
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BU of 6p58 by Molmil
Dark and Steady State-Illuminated Crystal Structure of Cyanobacteriochrome Receptor PixJ at 150K
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Methyl-accepting chemotaxis protein, ...
Authors:Clinger, J.A, Miller, M.D, Buirgie, E.S, Vierstra, R.D, Phillips Jr, G.N.
Deposit date:2019-05-29
Release date:2019-12-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Photoreversible interconversion of a phytochrome photosensory module in the crystalline state.
Proc.Natl.Acad.Sci.USA, 117, 2020
4XBO
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BU of 4xbo by Molmil
Crystal structure of full length E.coli TrmJ in complex with SAH
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, tRNA (cytidine/uridine-2'-O-)-methyltransferase TrmJ
Authors:Liu, R.J, Long, T, Zhou, M, Wang, E.D.
Deposit date:2014-12-17
Release date:2015-12-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:tRNA recognition by a bacterial tRNA Xm32 modification enzyme from the SPOUT methyltransferase superfamily
Nucleic Acids Res., 43, 2015
8U52
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BU of 8u52 by Molmil
Co-crystal structure of human transthyretin conjugated to the stilbene substructure derived from reaction with the fluorogenic covalent kinetic stabilizer A2
Descriptor: S-(4-fluorophenyl) 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzenecarbothioate, Transthyretin
Authors:Yan, N.L, Nugroho, K, Kline, G.M, Basanta, B, Lander, G.C, Wilson, I.A, Kelly, J.W.
Deposit date:2023-09-11
Release date:2025-03-05
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The conformational landscape of human transthyretin revealed by cryo-EM.
Nat.Struct.Mol.Biol., 32, 2025
9BOT
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BU of 9bot by Molmil
Human mesotrypsin (PRSS3) unliganded and in autoinhibited (E*) conformation
Descriptor: ACETATE ION, CALCIUM ION, GLYCEROL, ...
Authors:Coban, M, Sankaran, B, Radisky, E.S.
Deposit date:2024-05-06
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of an autoinhibited conformation in mesotrypsin reveals a new strategy for selective serine protease inhibition.
Sci Adv, 2025
9BOS
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BU of 9bos by Molmil
Human mesotrypsin (PRSS3) unliganded and in an active (E) conformation
Descriptor: CALCIUM ION, CHLORIDE ION, Trypsin-3, ...
Authors:Coban, M, Vargas, L.M.F, Sankaran, B, Radisky, E.S.
Deposit date:2024-05-06
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of an autoinhibited conformation in mesotrypsin reveals a new strategy for selective serine protease inhibition.
Sci Adv, 2025
6X7F
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BU of 6x7f by Molmil
Cryo-EM structure of an Escherichia coli coupled transcription-translation complex B2 (TTC-B2) containing an mRNA with a 24 nt long spacer, transcription factors NusA and NusG, and fMet-tRNAs at P-site and E-site
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
Authors:Molodtsov, V, Ebright, R.H, Wang, C, Su, M.
Deposit date:2020-05-29
Release date:2020-09-02
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of transcription-translation coupling.
Science, 369, 2020
6U0J
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BU of 6u0j by Molmil
Crosslinked Crystal Structure of Malonyl-CoA Acyl Carrier Protein Transacylase, FabD, and Acyl Carrier Protein, AcpP
Descriptor: 1,2-ETHANEDIOL, Acyl carrier protein, Malonyl CoA-acyl carrier protein transacylase, ...
Authors:Mindrebo, J.T, Misson, L, Davis, T.D, Burkart, M.D, Noel, J.P.
Deposit date:2019-08-14
Release date:2020-07-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Interfacial plasticity facilitates high reaction rate of E. coli FAS malonyl-CoA:ACP transacylase, FabD.
Proc.Natl.Acad.Sci.USA, 117, 2020
6X9Q
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BU of 6x9q by Molmil
Cryo-EM structure of an Escherichia coli coupled transcription-translation complex B3 (TTC-B3) containing an mRNA with a 27 nt long spacer, transcription factors NusA and NusG, and fMet-tRNAs at P-site and E-site
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
Authors:Molodtsov, V, Ebright, R.H, Wang, C, Su, M.
Deposit date:2020-06-03
Release date:2020-09-02
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structural basis of transcription-translation coupling.
Science, 369, 2020
6XII
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BU of 6xii by Molmil
Escherichia coli transcription-translation complex B (TTC-B) containing an 24 nt long mRNA spacer, NusG, and fMet-tRNAs at E-site and P-site
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
Authors:Molodtsov, V, Wang, C, Su, M, Ebright, R.H.
Deposit date:2020-06-20
Release date:2020-09-02
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Structural basis of transcription-translation coupling.
Science, 369, 2020
6X6T
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BU of 6x6t by Molmil
Cryo-EM structure of an Escherichia coli coupled transcription-translation complex B1 (TTC-B1) containing an mRNA with a 24 nt long spacer, transcription factors NusA and NusG, and fMet-tRNAs at P-site and E-site
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
Authors:Molodtsov, V, Ebright, R.H, Wang, C, Su, M.
Deposit date:2020-05-29
Release date:2020-09-02
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of transcription-translation coupling.
Science, 369, 2020
9GL8
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BU of 9gl8 by Molmil
EGFR Exon20 insertion mutant NPG bound with STX-721
Descriptor: (2R,3S)-3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[2-[(2R)-1-[(E)-4-(dimethylamino)but-2-enoyl]-2-methyl-pyrrolidin-2-yl]ethynyl]pyridin-4-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-c]pyridin-4-one, 1,2-ETHANEDIOL, Epidermal growth factor receptor, ...
Authors:Hilbert, B.J, Brooijmans, N, Milgram, B.C, Pagliarini, R.A.
Deposit date:2024-08-27
Release date:2025-05-14
Last modified:2025-06-11
Method:X-RAY DIFFRACTION (1.632 Å)
Cite:STX-721, a Covalent EGFR/HER2 Exon 20 Inhibitor, Utilizes Exon 20-Mutant Dynamic Protein States and Achieves Unique Mutant Selectivity Across Human Cancer Models.
Clin.Cancer Res., 2025
6ZPL
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BU of 6zpl by Molmil
Inward-open structure of human glycine transporter 1 in complex with a benzoylisoindoline inhibitor, sybody Sb_GlyT1#7 and bound Na and Cl ions.
Descriptor: CHLORIDE ION, Endoglucanase H, SODIUM ION, ...
Authors:Shahsavar, A, Stohler, P, Bourenkov, G, Zimmermann, I, Siegrist, M, Guba, W, Pinard, E, Sinning, S, Seeger, M.A, Schneider, T.R, Dawson, R.J.P, Nissen, P.
Deposit date:2020-07-08
Release date:2021-03-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.945 Å)
Cite:Structural insights into the inhibition of glycine reuptake.
Nature, 591, 2021
8GEW
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BU of 8gew by Molmil
H-FABP crystal soaked in a bromo palmitic acid solution
Descriptor: 2-Bromopalmitic acid, Fatty acid-binding protein, heart, ...
Authors:Howard, E, Cousido-Siah, A, Alvarez, A, Espinosa, Y, Podjarny, A, Mitschler, A, Carlevaro, M.
Deposit date:2023-03-07
Release date:2023-08-30
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Lipid exchange in crystal-confined fatty acid binding proteins: X-ray evidence and molecular dynamics explanation.
Proteins, 91, 2023
7AC8
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BU of 7ac8 by Molmil
Molecular basis for the unique allosteric activation mechanism of the heterodimeric imidazole glycerol phosphate synthase complex.
Descriptor: GLUTAMINE, Imidazole glycerol phosphate synthase subunit HisF, Imidazole glycerol phosphate synthase subunit HisH, ...
Authors:Sung, S, Wilmanns, M.
Deposit date:2020-09-10
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Molecular basis for the allosteric activation mechanism of the heterodimeric imidazole glycerol phosphate synthase complex.
Nat Commun, 12, 2021
6ZOG
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BU of 6zog by Molmil
Minocycline binding to the deep binding pocket of AcrB-I38F_I671T
Descriptor: (2S)-3-hydroxypropane-1,2-diyl didecanoate, (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, 1,2-ETHANEDIOL, ...
Authors:Tam, H.K, Foong, W.E, Pos, K.M.
Deposit date:2020-07-07
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
6ZOC
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BU of 6zoc by Molmil
Erythromycin binding to the access pocket of AcrB-G616P L protomer and 3-formylrifamycin SV binding to the access pocket of AcrB-G616P T protomer
Descriptor: (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate, 1,2-ETHANEDIOL, DARPIN, ...
Authors:Tam, H.K, Foong, W.E, Pos, K.M.
Deposit date:2020-07-07
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
6ZO7
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BU of 6zo7 by Molmil
3-Formylrifamycin SV binding to the access pocket of AcrB-G619P L and T protomer
Descriptor: (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Tam, H.K, Foong, W.E, Pos, K.M.
Deposit date:2020-07-07
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
7QGM
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BU of 7qgm by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4598 (a 3-methyl-CMPCP derivative, compound 16 in paper) in the closed state (crystal form III)
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Strater, N.
Deposit date:2021-12-08
Release date:2022-02-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
7QGL
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BU of 7qgl by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the open state
Descriptor: 5'-nucleotidase, CALCIUM ION, PENTAETHYLENE GLYCOL, ...
Authors:Strater, N.
Deposit date:2021-12-08
Release date:2022-02-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
7QGA
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BU of 7qga by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4598 (a 3-methyl-CMPCP derivative, compound 16 in paper) in the open state
Descriptor: 5'-nucleotidase, CALCIUM ION, TETRAETHYLENE GLYCOL, ...
Authors:Strater, N.
Deposit date:2021-12-07
Release date:2022-02-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
8UXJ
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BU of 8uxj by Molmil
Caulobacter crescentus FljK flagellar filament (asymmetrical)
Descriptor: Flagellin FljK
Authors:Sanchez, J.C, Montemayor, E.J, Ploscariu, N.T, Parrell, D, Baumgardt, J.K, Yang, J.E, Sibert, B, Cai, K, Wright, E.R.
Deposit date:2023-11-09
Release date:2024-06-26
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Atomic-level architecture of Caulobacter crescentus flagellar filaments provide evidence for multi-flagellin filament stabilization
To Be Published
6PRY
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BU of 6pry by Molmil
X-ray crystal structure of the blue-light absorbing state of PixJ from Thermosynechococcus elongatus by serial femtosecond crystallographic analysis
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Burgie, E.S, Clinger, J.A, Miller, M.D, Phillips Jr, G.N, Vierstra, R.D, Orville, A.M, Kern, J.F.
Deposit date:2019-07-12
Release date:2019-12-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Photoreversible interconversion of a phytochrome photosensory module in the crystalline state.
Proc.Natl.Acad.Sci.USA, 117, 2020
5HL4
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BU of 5hl4 by Molmil
Acoustic injectors for drop-on-demand serial femtosecond crystallography
Descriptor: COBALT HEXAMMINE(III), FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Roessler, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A.
Deposit date:2016-01-14
Release date:2016-01-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016

238582

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