6YAZ
 
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5VFI
 | | Bruton's tyrosine kinase (BTK) with GDC-0853 | | 分子名称: | 1,2-ETHANEDIOL, 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, SULFATE ION, ... | | 著者 | Steinbacher, S, Eigenbrot, C. | | 登録日 | 2017-04-07 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Discovery of GDC-0853: A Potent, Selective, and Noncovalent Bruton's Tyrosine Kinase Inhibitor in Early Clinical Development.
J. Med. Chem., 61, 2018
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6XQQ
 | | Structure of human D462-E4 TCR | | 分子名称: | GLYCEROL, TRAV12-2 alpha chain, TRBV29-1 | | 著者 | Awad, W, Rossjohn, J. | | 登録日 | 2020-07-10 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Atypical TRAV1-2 - T cell receptor recognition of the antigen-presenting molecule MR1.
J.Biol.Chem., 295, 2020
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6XQP
 | | Structure of human D462-E4 TCR in complex with human MR1-5-OP-RU | | 分子名称: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, BROMIDE ION, Beta-2-microglobulin, ... | | 著者 | Awad, W, Rossjohn, J. | | 登録日 | 2020-07-10 | | 公開日 | 2020-08-26 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Atypical TRAV1-2 - T cell receptor recognition of the antigen-presenting molecule MR1.
J.Biol.Chem., 295, 2020
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5U1R
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6X5S
 | | Human Alpha-1,6-fucosyltransferase (FUT8) bound to GDP and A3'-Asn | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, A3'-Asn, Alpha-(1,6)-fucosyltransferase, ... | | 著者 | Kadirvelraj, R, Wood, Z.A. | | 登録日 | 2020-05-26 | | 公開日 | 2020-10-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Characterizing human alpha-1,6-fucosyltransferase (FUT8) substrate specificity and structural similarities with related fucosyltransferases.
J.Biol.Chem., 295, 2020
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4PJB
 | | Structure of human MR1-5-OP-RU in complex with human MAIT B-F3-C1 TCR | | 分子名称: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... | | 著者 | Birkinshaw, R.W, Rossjohn, J. | | 登録日 | 2014-05-12 | | 公開日 | 2014-07-02 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
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6XE4
 | | BTK Fluorocyclopropyl amide inhibitor, Compound 25 | | 分子名称: | (1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | | 著者 | Kiefer, J.R, Crawford, J.J, Lee, W, Eigenbrot, C, Yu, C. | | 登録日 | 2020-06-11 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Stereochemical Differences in Fluorocyclopropyl Amides Enable Tuning of Btk Inhibition and Off-Target Activity.
Acs Med.Chem.Lett., 11, 2020
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4PJ5
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4PJI
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6X5U
 | | Human Alpha-1,6-fucosyltransferase (FUT8) bound to GDP and NM5M2-Asn | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Kadirvelraj, R, Wood, Z.A. | | 登録日 | 2020-05-26 | | 公開日 | 2020-10-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Characterizing human alpha-1,6-fucosyltransferase (FUT8) substrate specificity and structural similarities with related fucosyltransferases.
J.Biol.Chem., 295, 2020
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4PJE
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4PJA
 | | Structure of human MR1-5-OP-RU in complex with human MAIT B-B10 TCR | | 分子名称: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... | | 著者 | Birkinshaw, R.W, Rossjohn, J. | | 登録日 | 2014-05-12 | | 公開日 | 2014-07-02 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
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4PJ8
 | | Structure of human MR1-5-OP-RU in complex with human MAIT TRBV20 TCR | | 分子名称: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ... | | 著者 | Birkinshaw, R.W, Rossjohn, J. | | 登録日 | 2014-05-12 | | 公開日 | 2014-07-02 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
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4PJF
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4PJ9
 | | Structure of human MR1-5-OP-RU in complex with human MAIT TRAJ20 TCR | | 分子名称: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... | | 著者 | Birkinshaw, R.W, Rossjohn, J. | | 登録日 | 2014-05-12 | | 公開日 | 2014-07-02 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
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4PJG
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4PJX
 | | Structure of human MR1-Ac-6-FP in complex with human MAIT C-A11 TCR | | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-2-microglobulin, CHLORIDE ION, ... | | 著者 | Birkinshaw, R.W, Rossjohn, J. | | 登録日 | 2014-05-12 | | 公開日 | 2014-07-02 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
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6E1A
 | | Menin bound to M-89 | | 分子名称: | (1S,2R)-2-[(4S)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate, Menin, praseodymium triacetate | | 著者 | Stuckey, J.A. | | 登録日 | 2018-07-09 | | 公開日 | 2019-07-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structure-Based Discovery of M-89 as a Highly Potent Inhibitor of the Menin-Mixed Lineage Leukemia (Menin-MLL) Protein-Protein Interaction.
J.Med.Chem., 62, 2019
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6NJS
 | | Stat3 Core in complex with compound SD36 | | 分子名称: | Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name) | | 著者 | Meagher, J.L, Stuckey, J.A. | | 登録日 | 2019-01-04 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo.
Cancer Cell, 36, 2019
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2DHO
 | | Crystal structure of human IPP isomerase I in space group P212121 | | 分子名称: | CHLORIDE ION, Isopentenyl-diphosphate delta-isomerase 1, MANGANESE (II) ION, ... | | 著者 | Zhang, C, Wei, Z, Gong, W. | | 登録日 | 2006-03-24 | | 公開日 | 2007-06-05 | | 最終更新日 | 2021-11-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal structures of human IPP isomerase: new insights into the catalytic mechanism
J.Mol.Biol., 366, 2007
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6JK8
 | | Cryo-EM structure of the full-length human IGF-1R in complex with insulin | | 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, Insulin, ... | | 著者 | Zhang, X, Yu, D, Wang, T. | | 登録日 | 2019-02-27 | | 公開日 | 2020-03-04 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | | 主引用文献 | Visualization of Ligand-Bound Ectodomain Assembly in the Full-Length Human IGF-1 Receptor by Cryo-EM Single-Particle Analysis.
Structure, 28, 2020
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3L0M
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8WRH
 | | SARS-CoV-2 XBB.1.5.70 in complex with ACE2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S2' | | 著者 | Feng, L.L, Feng, L.L. | | 登録日 | 2023-10-14 | | 公開日 | 2023-11-29 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.08 Å) | | 主引用文献 | Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
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8WRL
 | | XBB.1.5 RBD in complex with ACE2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1 | | 著者 | Feng, L.L, Feng, L.L. | | 登録日 | 2023-10-15 | | 公開日 | 2023-11-29 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3.36 Å) | | 主引用文献 | Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
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