6QRO
 
 | | Crystal structure of Tannerella forsythia glutaminyl cyclase | | Descriptor: | Glutamine cyclotransferase, SULFATE ION, ZINC ION | | Authors: | Linnert, M, Piechotta, A, Parthier, C, Taudte, N, Kolenko, P, Rahfeld, J, Potempa, J, Stubbs, M.T. | | Deposit date: | 2019-02-19 | | Release date: | 2019-03-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mammalian-like type II glutaminyl cyclases in Porphyromonas gingivalis and other oral pathogenic bacteria as targets for treatment of periodontitis.
J.Biol.Chem., 296, 2021
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7U9P
 | | SARS-CoV-2 spike trimer RBD in complex with Fab NA8 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NA8 Fab heavy chain, NA8 Fab light chain, ... | | Authors: | Tsybovsky, Y, Kwong, P.D, Farci, P. | | Deposit date: | 2022-03-11 | | Release date: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Potent monoclonal antibodies neutralize Omicron sublineages and other SARS-CoV-2 variants.
Cell Rep, 41, 2022
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8GBU
 | | Hepatitis B capsid Y132A mutant with compound AB-506 | | Descriptor: | (1-methyl-1H-1,2,4-triazol-3-yl)methyl {(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl}carbamate, 1,2-ETHANEDIOL, Capsid protein | | Authors: | Horanyi, P.S, Mayclin, S.J. | | Deposit date: | 2023-02-28 | | Release date: | 2023-09-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Design, synthesis, and structure-activity relationship of a bicyclic HBV capsid assembly modulator chemotype leading to the identification of clinical candidate AB-506.
Bioorg.Med.Chem.Lett., 94, 2023
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7MBX
 | | Human Cholecystokinin 1 receptor (CCK1R) Gs complex | | Descriptor: | CHOLESTEROL HEMISUCCINATE, Cholecystokinin receptor type A, Cholecystokinin-8, ... | | Authors: | Mobbs, J.I, Belousoff, M.J, Danev, R, Thal, D.M, Sexton, P.M. | | Deposit date: | 2021-04-01 | | Release date: | 2021-05-26 | | Last modified: | 2021-07-14 | | Method: | ELECTRON MICROSCOPY (1.95 Å) | | Cite: | Structures of the human cholecystokinin 1 (CCK1) receptor bound to Gs and Gq mimetic proteins provide insight into mechanisms of G protein selectivity.
Plos Biol., 19, 2021
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5KZ8
 | | Mark2 complex with 7-[(1S)-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(3-pyridylamino)pyrrolo[2,3-d]pyrimidin-6-one | | Descriptor: | 5,5-dimethyl-7-[(1~{S})-4-oxidanyl-1~{H}-inden-1-yl]-2-phenylazanyl-pyrrolo[2,3-d]pyrimidin-6-one, Serine/threonine-protein kinase MARK2 | | Authors: | Su, H.P, Munshi, S.K. | | Deposit date: | 2016-07-23 | | Release date: | 2017-05-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.21 Å) | | Cite: | Structure guided design of a series of selective pyrrolopyrimidinone MARK inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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7YI3
 | | Cryo-EM structure of Rpd3S in close-state Rpd3S-NCP complex | | Descriptor: | Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ... | | Authors: | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | | Deposit date: | 2022-07-14 | | Release date: | 2023-06-14 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S.
Nature, 620, 2023
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7MBY
 | | Human Cholecystokinin 1 receptor (CCK1R) Gq chimera (mGsqi) complex | | Descriptor: | CHOLESTEROL HEMISUCCINATE, Cholecystokinin receptor type A, Cholecystokinin-8, ... | | Authors: | Mobbs, J.I, Belousoff, M.J, Danev, R, Thal, D.M, Sexton, P.M. | | Deposit date: | 2021-04-01 | | Release date: | 2021-05-26 | | Last modified: | 2021-07-14 | | Method: | ELECTRON MICROSCOPY (2.44 Å) | | Cite: | Structures of the human cholecystokinin 1 (CCK1) receptor bound to Gs and Gq mimetic proteins provide insight into mechanisms of G protein selectivity.
Plos Biol., 19, 2021
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8T5I
 | | Crystal structure of human WDR5 in complex with MR4397 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[(1H-imidazol-1-yl)methyl]benzamide, ... | | Authors: | Kimani, S, Dong, A, Li, F, Loppnau, P, Ackloo, S, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-13 | | Release date: | 2023-08-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of human WDR5 in complex with MR4397
To be published
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5EA5
 | | Crystal Structure of Inhibitor TMC-353121 in Complex with Prefusion RSV F Glycoprotein | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(4-morpholinyl)propyl]amino]-1H-benzimidazol-1-yl]methyl]-6-methyl-3-pyridinol, D(-)-TARTARIC ACID, ... | | Authors: | Battles, M.B, McLellan, J.S, Arnoult, E, Roymans, D, Langedijk, J.P. | | Deposit date: | 2015-10-15 | | Release date: | 2015-12-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Molecular mechanism of respiratory syncytial virus fusion inhibitors.
Nat.Chem.Biol., 12, 2016
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5DT5
 | | Crystal structure of the GH1 beta-glucosidase from Exiguobacterium antarcticum B7 in space group P21 | | Descriptor: | Beta-glucosidase, SULFATE ION | | Authors: | Zanphorlin, L.M, Giuseppe, P.O, Tonoli, C.C.C, Murakami, M.T. | | Deposit date: | 2015-09-17 | | Release date: | 2016-04-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Oligomerization as a strategy for cold adaptation: Structure and dynamics of the GH1 beta-glucosidase from Exiguobacterium antarcticum B7.
Sci Rep, 6, 2016
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6QWX
 | | HEWL lysozyme, crystallized from NiCl2 solution | | Descriptor: | CHLORIDE ION, Lysozyme C, NICKEL (II) ION | | Authors: | Boikova, A.S, Dorovatovskii, P.V, Dyakova, Y.A, Ilina, K.B, Kuranova, I.P, Lazarenko, V.A, Marchenkova, M.A, Pisarevsky, Y.V, Timofeev, V.I, Kovalchuk, M.V. | | Deposit date: | 2019-03-06 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | HEWL lysozyme, crystallized from different chlorides
To Be Published
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5OT2
 | | RNA polymerase II elongation complex in the presence of 3d-Napht-A | | Descriptor: | 2-ethyl-7-methoxy-naphthalene, DNA non-template strand, DNA template strand, ... | | Authors: | Malvezzi, S, Farnung, L, Aloisi, C, Angelov, T, Cramer, P, Sturla, S.J. | | Deposit date: | 2017-08-19 | | Release date: | 2017-11-01 | | Last modified: | 2019-07-10 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Mechanism of RNA polymerase II stalling by DNA alkylation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8OFR
 | | Human adenovirus type 25 fiber-knob protein complexed with sialic acid | | Descriptor: | Fiber, N-acetyl-beta-neuraminic acid | | Authors: | Rizkallah, P.J, Parker, A.L, Mundy, R.M, Baker, A.T. | | Deposit date: | 2023-03-16 | | Release date: | 2023-09-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Broad sialic acid usage amongst species D human adenovirus.
Npj Viruses, 1, 2023
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8GS1
 | | Crystal structure of AziU2-U3 complex from Streptomyces sahachiroi NRRL2485 | | Descriptor: | Azi28, Azi29, FORMIC ACID, ... | | Authors: | Cheng, Y, Li, P, Liu, W, Fang, P. | | Deposit date: | 2022-09-04 | | Release date: | 2023-09-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Oxidase Heterotetramer Completes 1-Azabicyclo[3.1.0]hexane Formation with the Association of a Nonribosomal Peptide Synthetase.
J.Am.Chem.Soc., 145, 2023
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6QLZ
 | | IDOL F3ab subdomain | | Descriptor: | E3 ubiquitin-protein ligase MYLIP | | Authors: | Martinelli, L, Johansson, P, Wan, P.T, Gunnarsson, J, Guo, H, Boyd, H. | | Deposit date: | 2019-02-01 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.343 Å) | | Cite: | Structural analysis of the LDL receptor-interacting FERM domain in the E3 ubiquitin ligase IDOL reveals an obscured substrate-binding site.
J.Biol.Chem., 295, 2020
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7YI0
 | | Cryo-EM structure of Rpd3S complex | | Descriptor: | Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ... | | Authors: | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | | Deposit date: | 2022-07-14 | | Release date: | 2023-06-14 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S.
Nature, 620, 2023
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8TEY
 | | Avian Adeno-associated virus - empty capsid | | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Capsid protein | | Authors: | Hsi, J, Mietzsch, M, Chipman, P, Afione, S, Zeher, A, Huang, R, Chiorini, J, McKenna, R. | | Deposit date: | 2023-07-07 | | Release date: | 2023-08-30 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Structural and antigenic characterization of the avian adeno-associated virus capsid.
J.Virol., 97, 2023
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6HUE
 | | ParkinS65N | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase parkin, GLYCEROL, ... | | Authors: | McWilliams, T.G, Barini, E, Pohjolan-Pirhonen, R, Brooks, S.P, Singh, F, Burel, S, Balk, K, Kumar, A, Montava-Garriga, L, Prescott, A.R, Hassoun, S.M, Mouton-Liger, F, Ball, G, Hills, R, Knebel, A, Ulusoy, A, Di Monte, D.A, Tamjar, J, Antico, O, Fears, K, Smith, L, Brambilla, R, Palin, E, Valori, M, Eerola-Rautio, J, Tienari, P, Corti, O, Dunnett, S.B, Ganley, I.G, Suomalainen, A, Muqit, M.M.K. | | Deposit date: | 2018-10-07 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Phosphorylation of Parkin at serine 65 is essential for its activation in vivo .
Open Biology, 8, 2018
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8T9N
 | | Bacillus subtilis RsgI GGG mutant | | Descriptor: | Anti-sigma-I factor RsgI | | Authors: | Brogan, A.P, Habib, C, Hobbs, S.J, Kranzusch, P.J, Rudner, D.Z. | | Deposit date: | 2023-06-24 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Bacterial SEAL domains undergo autoproteolysis and function in regulated intramembrane proteolysis.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5XGY
 | | Crystal structure of peptidoglycan recognition protein (PGRP-S) at 2.45 A resolution | | Descriptor: | GLYCEROL, L(+)-TARTARIC ACID, Peptidoglycan recognition protein 1 | | Authors: | Shokeen, A, Sharma, P, Singh, P.K, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2017-04-18 | | Release date: | 2017-05-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of peptidoglycan recognition protein (PGRP-S) at 2.45 A resolution
To Be Published
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7MGD
 | | Concanavalin A bound to a DNA glycoconjugate, T(Man-T)TT | | Descriptor: | CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ... | | Authors: | Partridge, B.E, Winegar, P.H, Mirkin, C.A. | | Deposit date: | 2021-04-12 | | Release date: | 2021-06-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Redefining Protein Interfaces within Protein Single Crystals with DNA.
J.Am.Chem.Soc., 143, 2021
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6QWW
 | | HEWL lysozyme, crystallized from CuCl2 solution | | Descriptor: | CHLORIDE ION, COPPER (II) ION, Lysozyme C | | Authors: | Boikova, A.S, Dorovatovskii, P.V, Dyakova, Y.A, Ilina, K.B, Kuranova, I.P, Lazarenko, V.A, Marchenkova, M.A, Pisarevsky, Y.V, Timofeev, V.I, Kovalchuk, M.V. | | Deposit date: | 2019-03-06 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | HEWL lysozyme, crystallized from different chlorides
To Be Published
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6QWY
 | | HEWL lysozyme, crystallized from NaCl solution | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Boikova, A.S, Dorovatovskii, P.V, Dyakova, Y.A, Ilina, K.B, Kuranova, I.P, Lazarenko, V.A, Marchenkova, M.A, Pisarevsky, Y.V, Timofeev, V.I, Kovalchuk, M.V. | | Deposit date: | 2019-03-06 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | HEWL lysozyme, crystallized from different chlorides
To Be Published
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4UYI
 | | Crystal structure of the BTB domain of human SLX4 (BTBD12) | | Descriptor: | STRUCTURE-SPECIFIC ENDONUCLEASE SUBUNIT SLX4 | | Authors: | Pinkas, D.M, Sanvitale, C.E, Strain-Damerell, C, Fairhead, M, Wang, D, Tallant, C, Cooper, C.D.O, Sorrell, F.J, Kopec, J, Chaikuad, A, Fitzpatrick, F, Pike, A.C.W, Hozjan, V, Ying, Z, Roos, A.K, Savitsky, P, Bradley, A, Nowak, R, Filippakopoulos, P, Krojer, T, Burgess-Brown, N.A, Marsden, B.D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2014-09-01 | | Release date: | 2014-10-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Crystal Structure of the Btb Domain of Human Slx4 (Btbd12)
To be Published
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7MGB
 | | Concanavalin A bound to a DNA glycoconjugate, A(Man-T)AT | | Descriptor: | CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ... | | Authors: | Partridge, B.E, Winegar, P.H, Mirkin, C.A. | | Deposit date: | 2021-04-12 | | Release date: | 2021-06-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Redefining Protein Interfaces within Protein Single Crystals with DNA.
J.Am.Chem.Soc., 143, 2021
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