9BBD
 
 | | Structure of S1_8B, a lambda-carrageenan specific sulfatase | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | 著者 | Hettle, J.A, Vickers, C, Boraston, A.B. | | 登録日 | 2024-04-05 | | 公開日 | 2025-08-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure of S1_8C, a lambda-carrageenan specific sulfatase
To Be Published
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9BBA
 | | Structure of S1_8C, a lambda-carrageenan specific sulfatase | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Hettle, J.A, Vickers, C, Boraston, A.B. | | 登録日 | 2024-04-05 | | 公開日 | 2025-08-27 | | 実験手法 | X-RAY DIFFRACTION (2.201 Å) | | 主引用文献 | 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 | | 分子名称: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase, SULFATE ION, ... | | 著者 | Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R. | | 登録日 | 2022-07-15 | | 公開日 | 2023-07-19 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with Acetazolamide
To Be Published
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9BX7
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9BYF
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8T0M
 | | Proteasome 20S core particle from Pre1-1 Pre4-1 Double mutant | | 分子名称: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | | 著者 | Walsh Jr, R.M, Rawson, S, Schnell, H, Velez, B, Hanna, J. | | 登録日 | 2023-06-01 | | 公開日 | 2023-09-06 | | 最終更新日 | 2024-11-20 | | 実験手法 | ELECTRON MICROSCOPY (2.4 Å) | | 主引用文献 | 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 | | 分子名称: | Proteasome assembly chaperone 2, Proteasome chaperone 1, Proteasome maturation factor UMP1, ... | | 著者 | Walsh Jr, R.M, Rawson, S, Schnell, H, Velez, B, Hanna, J. | | 登録日 | 2023-05-31 | | 公開日 | 2023-09-06 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | 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 | | 分子名称: | 1,2-ETHANEDIOL, COPPER (I) ION, Thermobia domestica domestica AA15 | | 著者 | 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. | | 登録日 | 2017-01-06 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | 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. | | 分子名称: | 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR, ~{N}-(5-oxidanylidene-7,8-dihydro-6~{H}-naphthalen-2-yl)ethanamide | | 著者 | Mendes, V, Chan, D.S.-H, Thomas, S.E, McConnell, B, Matak-Vinkovic, D, Coyne, A.G, Abell, C, Blundell, T.L. | | 登録日 | 2017-01-23 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.932 Å) | | 主引用文献 | 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 | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GALECTIN-1, beta-D-galactopyranose-(1-1)-1-thio-beta-D-galactopyranose | | 著者 | Amzel, L.M, Bianchet, M.A, Ahmed, H, Vasta, G.R. | | 登録日 | 1998-03-20 | | 公開日 | 1998-10-14 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 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 | | 分子名称: | 2-azanyl-5-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonyl-benzenesulfonamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | You, W, Steegborn, C. | | 登録日 | 2022-11-09 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | 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 | | 分子名称: | 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, ... | | 著者 | Yang, Y.R, Ward, A.B. | | 登録日 | 2019-08-27 | | 公開日 | 2020-01-29 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (3.86 Å) | | 主引用文献 | 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 | | 分子名称: | 4-methylsulfanyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide, HTH-type transcriptional regulator EthR | | 著者 | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | | 登録日 | 2017-01-27 | | 公開日 | 2017-10-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | 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 | | 分子名称: | 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, ... | | 著者 | 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. | | 登録日 | 2019-04-08 | | 公開日 | 2019-04-17 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | 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 | | 分子名称: | Branched chain amino acid: 2-keto-4-methylthiobutyrate aminotransferase | | 著者 | Li, Q, Zhu, Y.M, Gao, J, Wei, H.L, Han, X, Liu, W.D, Sun, Y.X. | | 登録日 | 2023-03-20 | | 公開日 | 2024-01-24 | | 最終更新日 | 2025-08-06 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | 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 | | 分子名称: | 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 | | 著者 | She, J, Chen, L. | | 登録日 | 2024-06-07 | | 公開日 | 2025-04-09 | | 最終更新日 | 2025-07-23 | | 実験手法 | ELECTRON MICROSCOPY (3.55 Å) | | 主引用文献 | 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 | | 分子名称: | 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 | | 著者 | Picaud, S, Traquete, R, Bernardes, G.J.L, Newman, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC) | | 登録日 | 2018-11-19 | | 公開日 | 2019-11-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | 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 | | 分子名称: | 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, ... | | 著者 | Gajiwala, K.S, Brooun, A, Deng, Y.-L, Liu, W. | | 登録日 | 2016-03-01 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | 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 | | 分子名称: | 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, ... | | 著者 | Lin, F.-Y, Zhu, J, Springer, T.A. | | 登録日 | 2015-04-07 | | 公開日 | 2015-12-16 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | 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 | | 分子名称: | (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, ... | | 著者 | Coleman, J.A, Green, E.M, Gouaux, E. | | 登録日 | 2016-02-16 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (3.24 Å) | | 主引用文献 | 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 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-2-microglobulin, ... | | 著者 | Gras, S, Lobos, C.A, Chatzileontiadou, D.S.M. | | 登録日 | 2021-10-14 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Molecular insights into the HLA-B35 molecules' classification associated with HIV control.
Immunol.Cell.Biol., 102, 2024
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7U1Y
 | | Structure of SPAC806.04c protein from fission yeast bound to AlF4 and Co2+ | | 分子名称: | COBALT (II) ION, Damage-control phosphatase SPAC806.04c, POTASSIUM ION, ... | | 著者 | Jacewicz, A, Sanchez, A.M, Shuman, S. | | 登録日 | 2022-02-22 | | 公開日 | 2022-06-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | 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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8T6D
 | | Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors | | 分子名称: | (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 | | 著者 | Tang, Y, Nguyen, V, Wilbur, J.D. | | 登録日 | 2023-06-15 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | 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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