8E8Z
 
 | | 9H2 Fab-Sabin poliovirus 1 complex | | Descriptor: | 9H2 Fab heavy chain, 9H2 Fab light chain, Capsid protein VP1, ... | | Authors: | Charnesky, A.J. | | Deposit date: | 2022-08-26 | | Release date: | 2023-06-21 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | A human monoclonal antibody binds within the poliovirus receptor-binding site to neutralize all three serotypes.
Nat Commun, 14, 2023
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9BBA
 | | Structure of S1_8C, a lambda-carrageenan specific sulfatase | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Hettle, J.A, Vickers, C, Boraston, A.B. | | Deposit date: | 2024-04-05 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Structure of S1_8C, a lambda-carrageenan specific sulfatase
To Be Published
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8DPO
 | | Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with Acetazolamide | | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase, SULFATE ION, ... | | Authors: | Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R. | | Deposit date: | 2022-07-15 | | Release date: | 2023-07-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with Acetazolamide
To Be Published
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9BX7
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9BYF
 | | Fab 212-55 in complex with OspA | | Descriptor: | 1,2-ETHANEDIOL, 221-55 Fab Heavy Chain, 221-55 Fab Light Chain, ... | | Authors: | Rudolph, M.J, Mantis, N. | | Deposit date: | 2024-05-23 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Fab 212-55 in complex with OspA
To Be Published
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8T0M
 | | Proteasome 20S core particle from Pre1-1 Pre4-1 Double mutant | | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | | Authors: | Walsh Jr, R.M, Rawson, S, Schnell, H, Velez, B, Hanna, J. | | Deposit date: | 2023-06-01 | | Release date: | 2023-09-06 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Structure of the preholoproteasome reveals late steps in proteasome core particle biogenesis.
Nat.Struct.Mol.Biol., 30, 2023
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8T08
 | | Preholo-Proteasome from Pre1-1 Pre4-1 Double Mutant | | Descriptor: | Proteasome assembly chaperone 2, Proteasome chaperone 1, Proteasome maturation factor UMP1, ... | | Authors: | Walsh Jr, R.M, Rawson, S, Schnell, H, Velez, B, Hanna, J. | | Deposit date: | 2023-05-31 | | Release date: | 2023-09-06 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure of the preholoproteasome reveals late steps in proteasome core particle biogenesis.
Nat.Struct.Mol.Biol., 30, 2023
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5MSZ
 | | Lytic Polysaccharide Monooxygenase AA15 from Thermobia domestica in the Cu(I) State | | Descriptor: | 1,2-ETHANEDIOL, COPPER (I) ION, Thermobia domestica domestica AA15 | | Authors: | Hemsworth, G.R, Sabbadin, F, Ciano, L, Henrissat, B, Dupree, P, Tryfona, T, Besser, K, Elias, L, Pesante, G, Li, Y, Dowle, A, Bates, R, Gomez, L, Hallam, R, Davies, G.J, Walton, P.H, Bruce, N.C, McQueen-Mason, S. | | Deposit date: | 2017-01-06 | | Release date: | 2018-02-28 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | An ancient family of lytic polysaccharide monooxygenases with roles in arthropod development and biomass digestion.
Nat Commun, 9, 2018
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8BQ7
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5MXK
 | | Structure of Mycobacterium Tuberculosis Transcriptional Regulatory Repressor Protein (EthR) in complex with fragment 7G9. | | Descriptor: | 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR, ~{N}-(5-oxidanylidene-7,8-dihydro-6~{H}-naphthalen-2-yl)ethanamide | | Authors: | Mendes, V, Chan, D.S.-H, Thomas, S.E, McConnell, B, Matak-Vinkovic, D, Coyne, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2017-01-23 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.932 Å) | | Cite: | Fragment Screening against the EthR-DNA Interaction by Native Mass Spectrometry.
Angew. Chem. Int. Ed. Engl., 56, 2017
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1A78
 | | COMPLEX OF TOAD OVARY GALECTIN WITH THIO-DIGALACTOSE | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GALECTIN-1, beta-D-galactopyranose-(1-1)-1-thio-beta-D-galactopyranose | | Authors: | Amzel, L.M, Bianchet, M.A, Ahmed, H, Vasta, G.R. | | Deposit date: | 1998-03-20 | | Release date: | 1998-10-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Soluble beta-galactosyl-binding lectin (galectin) from toad ovary: crystallographic studies of two protein-sugar complexes
Proteins, 40, 2000
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8BL1
 | | Human Sirt6 in complex with the inhibitor S6039 and ADP-ribose | | Descriptor: | 2-azanyl-5-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonyl-benzenesulfonamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | You, W, Steegborn, C. | | Deposit date: | 2022-11-09 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
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6U59
 | | HIV-1 B41 SOSIP.664 in complex with rabbit antibody 13B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SOSIP.664 gp120,SOSIP.664 gp120, ... | | Authors: | Yang, Y.R, Ward, A.B. | | Deposit date: | 2019-08-27 | | Release date: | 2020-01-29 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.86 Å) | | Cite: | Autologous Antibody Responses to an HIV Envelope Glycan Hole Are Not Easily Broadened in Rabbits.
J.Virol., 94, 2020
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5MYT
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK921295A at 1.61A resolution | | Descriptor: | 4-methylsulfanyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide, HTH-type transcriptional regulator EthR | | Authors: | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | | Deposit date: | 2017-01-27 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
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6RAV
 | | Complement factor B protease domain in complex with the reversible inhibitor 4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid | | Descriptor: | 4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ... | | Authors: | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | | Deposit date: | 2019-04-08 | | Release date: | 2019-04-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
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8ISC
 | | Crystal structure of MV in complex with LLP | | Descriptor: | Branched chain amino acid: 2-keto-4-methylthiobutyrate aminotransferase | | Authors: | Li, Q, Zhu, Y.M, Gao, J, Wei, H.L, Han, X, Liu, W.D, Sun, Y.X. | | Deposit date: | 2023-03-20 | | Release date: | 2024-01-24 | | Last modified: | 2025-08-06 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Protein engineering of transaminase facilitating enzyme cascade reaction for the biosynthesis of azasugars.
Iscience, 27, 2024
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8ZTO
 | | Cryo-EM structure of the human XPR1 | | Descriptor: | PHOSPHATE ION, Solute carrier family 53 member 1, [(2~{R})-1-hexadecanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] octadec-9-enoate | | Authors: | She, J, Chen, L. | | Deposit date: | 2024-06-07 | | Release date: | 2025-04-09 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (3.55 Å) | | Cite: | Structure and function of human XPR1 in phosphate export.
Nat Commun, 16, 2025
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6I80
 | | Crystal Structure of the second bromodomain of BRD2 in complex with RT53 | | Descriptor: | 1,2-ETHANEDIOL, 2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone, Bromodomain-containing protein 2 | | Authors: | Picaud, S, Traquete, R, Bernardes, G.J.L, Newman, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-11-19 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Crystal Structure of the second bromodomain of BRD2 in complex with RT53
To Be Published
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8ZTY
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5IJ8
 | | Structure of the primary oncogenic mutant Y641N Hs/AcPRC2 in complex with a pyridone inhibitor | | Descriptor: | 5,8-dichloro-2-[(4-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-({1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl}oxy)-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of Zeste Homolog 2 (EZH2),Histone-lysine N-methyltransferase EZH2, Polycomb protein EED, ... | | Authors: | Gajiwala, K.S, Brooun, A, Deng, Y.-L, Liu, W. | | Deposit date: | 2016-03-01 | | Release date: | 2016-05-04 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Polycomb repressive complex 2 structure with inhibitor reveals a mechanism of activation and drug resistance.
Nat Commun, 7, 2016
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4Z7Q
 | | Integrin alphaIIbbeta3 in complex with AGDV-NH2 peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Lin, F.-Y, Zhu, J, Springer, T.A. | | Deposit date: | 2015-04-07 | | Release date: | 2015-12-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | beta-Subunit Binding Is Sufficient for Ligands to Open the Integrin alpha IIb beta 3 Headpiece.
J.Biol.Chem., 291, 2016
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5I73
 | | X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central and allosteric sites | | Descriptor: | (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINOHEXANOIC ACID, ... | | Authors: | Coleman, J.A, Green, E.M, Gouaux, E. | | Deposit date: | 2016-02-16 | | Release date: | 2016-04-13 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | X-ray structures and mechanism of the human serotonin transporter.
Nature, 532, 2016
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7SIF
 | | Crystal Structure of HLA B*3505 in complex with NPDIVIYQY, an 9-mer epitope from HIV-I | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-2-microglobulin, ... | | Authors: | Gras, S, Lobos, C.A, Chatzileontiadou, D.S.M. | | Deposit date: | 2021-10-14 | | Release date: | 2022-11-23 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Molecular insights into the HLA-B35 molecules' classification associated with HIV control.
Immunol.Cell.Biol., 102, 2024
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8T6D
 | | Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors | | Descriptor: | (3R)-1'-[3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3H-spiro[[1]benzofuran-2,4'-piperidin]-3-amine, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Tang, Y, Nguyen, V, Wilbur, J.D. | | Deposit date: | 2023-06-15 | | Release date: | 2023-10-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
J.Med.Chem., 66, 2023
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7U1Y
 | | Structure of SPAC806.04c protein from fission yeast bound to AlF4 and Co2+ | | Descriptor: | COBALT (II) ION, Damage-control phosphatase SPAC806.04c, POTASSIUM ION, ... | | Authors: | Jacewicz, A, Sanchez, A.M, Shuman, S. | | Deposit date: | 2022-02-22 | | Release date: | 2022-06-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate.
J.Biol.Chem., 298, 2022
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