6AZV
 
 | | IDO1/BMS-978587 crystal structure | | 分子名称: | (1R,2S)-2-(4-[bis(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid, Indoleamine 2,3-dioxygenase 1 | | 著者 | Lewis, H.A. | | 登録日 | 2017-09-13 | | 公開日 | 2018-03-21 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.755 Å) | | 主引用文献 | Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6B2O
 | | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, C176A variant | | 分子名称: | ATP-utilizing enzyme of the PP-loopsuperfamily, PHOSPHATE ION, SULFATE ION | | 著者 | Fellner, M, Hausinger, R.P, Hu, J. | | 登録日 | 2017-09-20 | | 公開日 | 2018-09-05 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Analysis of the Active Site Cysteine Residue of the Sacrificial Sulfur Insertase LarE from Lactobacillus plantarum.
Biochemistry, 57, 2018
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6GLD
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6BLM
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6C1W
 | | A tethered niacin-derived pincer complex with a nickel-carbon or sulfite-carbon bond in lactate racemase | | 分子名称: | (4S)-5-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic S-acid, 3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium, Lactate racemase, ... | | 著者 | Fellner, M, Desguin, B, Hausinger, R.P, Hu, J. | | 登録日 | 2018-01-05 | | 公開日 | 2018-03-14 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.398 Å) | | 主引用文献 | Lactate Racemase Nickel-Pincer Cofactor Operates by a Proton-Coupled Hydride Transfer Mechanism.
Biochemistry, 57, 2018
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6BIH
 | | The Structure of the Actin-Smooth Muscle Myosin Motor Domain Complex in the Rigor State | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | 著者 | Taylor, K.A, Banerjee, C, Hu, Z. | | 登録日 | 2017-11-02 | | 公開日 | 2018-09-19 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (6 Å) | | 主引用文献 | The structure of the actin-smooth muscle myosin motor domain complex in the rigor state.
J. Struct. Biol., 200, 2017
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6BJK
 | | Human ABO(H) blood group glycosyltransferase GTB D302C mutant | | 分子名称: | ABO blood group (Transferase A, alpha 1-3-N-acetylgalactosaminyltransferase transferase B, alpha 1-3-galactosyltransferase), ... | | 著者 | Gagnon, S.M.L, Legg, M.S.G, Evans, S.V. | | 登録日 | 2017-11-06 | | 公開日 | 2018-09-19 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Conserved residues Arg188 and Asp302 are critical for active site organization and catalysis in human ABO(H) blood group A and B glycosyltransferases.
Glycobiology, 28, 2018
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6GX6
 | | Crystal structure of IMP3 RRM12 in complex with RNA (ACAC) | | 分子名称: | 1,2-ETHANEDIOL, Insulin-like growth factor 2 mRNA-binding protein 3, PHOSPHATE ION, ... | | 著者 | Jia, M, Gut, H, Chao, A.J. | | 登録日 | 2018-06-26 | | 公開日 | 2018-09-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural basis of IMP3 RRM12 recognition of RNA.
RNA, 24, 2018
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7RKP
 | | The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with cyclic compound SJ001034733 | | 分子名称: | (5R)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2,6(28),11(27),12,14,22,24-octaene-4,7-dione, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | | 著者 | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | | 登録日 | 2021-07-22 | | 公開日 | 2022-07-27 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
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5N8C
 | | Crystal structure of Pseudomonas aeruginosa LpxC complexed with inhibitor | | 分子名称: | (2~{S})-3-azanyl-2-[[(1~{R})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{H}-inden-1-yl]amino]-3-methyl-~{N}-oxidanyl-butanamide, CHLORIDE ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | 著者 | Cross, J.B, Ryan, M.D, Zhang, J, Cheng, R.K, Wood, M, Andersen, O.A, Brooks, M, Kwong, J, Barker, J. | | 登録日 | 2017-02-23 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-based discovery of LpxC inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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6BT2
 | | Structure of the human Nocturnin catalytic domain with bound sulfate anion | | 分子名称: | MAGNESIUM ION, Nocturnin, SULFATE ION | | 著者 | Abshire, E.T, Chasseur, J, Del Rizzo, P, Trievel, R. | | 登録日 | 2017-12-04 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.411 Å) | | 主引用文献 | The structure of human Nocturnin reveals a conserved ribonuclease domain that represses target transcript translation and abundance in cells.
Nucleic Acids Res., 46, 2018
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6BUU
 | | Crystal structure of AKT1 (aa 144-480) with a bisubstrate | | 分子名称: | GLY-ARG-PRO-ARG-THR-THR-ZXW-PHE-ALA-GLU, MANGANESE (II) ION, RAC-alpha serine/threonine-protein kinase, ... | | 著者 | Chu, N, Gabelli, S.B, Cole, P.A. | | 登録日 | 2017-12-11 | | 公開日 | 2018-08-22 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Akt Kinase Activation Mechanisms Revealed Using Protein Semisynthesis.
Cell, 174, 2018
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5NI9
 | | Crystal structure of HLA-DRB1*04:01 with the alpha-enolase peptide 326-340 | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha-enolase, ... | | 著者 | Gerstner, C, Dubnovitsky, A. | | 登録日 | 2017-03-23 | | 公開日 | 2018-06-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Memory T cells specific to citrullinated alpha-enolase are enriched in the rheumatic joint.
J. Autoimmun., 92, 2018
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6C15
 | | CD1c in complex with phosphatidylcholine | | 分子名称: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | 著者 | Wun, K.S, Rossjohn, J. | | 登録日 | 2018-01-03 | | 公開日 | 2018-03-21 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.21 Å) | | 主引用文献 | T cell autoreactivity directed toward CD1c itself rather than toward carried self lipids.
Nat. Immunol., 19, 2018
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6BJL
 | | Human ABO(H) blood group glycosyltransferase GTB D302L mutant | | 分子名称: | ABO blood group (Transferase A, alpha 1-3-N-acetylgalactosaminyltransferase transferase B, alpha 1-3-galactosyltransferase), ... | | 著者 | Gagnon, S.M.L, Legg, M.S.G, Evans, S.V. | | 登録日 | 2017-11-06 | | 公開日 | 2018-09-19 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Conserved residues Arg188 and Asp302 are critical for active site organization and catalysis in human ABO(H) blood group A and B glycosyltransferases.
Glycobiology, 28, 2018
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6BNK
 | | Crystal structure of TCR-MHC-like molecule | | 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, Antigen-presenting glycoprotein CD1d1, ... | | 著者 | Le Nours, J, Rossjohn, J. | | 登録日 | 2017-11-16 | | 公開日 | 2018-04-04 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Dual Modifications of alpha-Galactosylceramide Synergize to Promote Activation of Human Invariant Natural Killer T Cells and Stimulate Anti-tumor Immunity.
Cell Chem Biol, 25, 2018
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6BP4
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6BQ0
 | | Structure of human monoacylglycerol lipase bound to a covalent inhibitor | | 分子名称: | 1-({(1R,5S,6r)-6-[1-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carbonyl}oxy)pyrrolidine-2,5-dione, Monoglyceride lipase | | 著者 | Pandit, J. | | 登録日 | 2017-11-27 | | 公開日 | 2018-03-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of Trifluoromethyl Glycol Carbamates as Potent and Selective Covalent Monoacylglycerol Lipase (MAGL) Inhibitors for Treatment of Neuroinflammation.
J. Med. Chem., 61, 2018
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6I52
 | | Yeast RPA bound to ssDNA | | 分子名称: | DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), Replication factor A protein 1, Replication factor A protein 2, ... | | 著者 | Yates, L.A, Aramayo, R.J, Zhang, X. | | 登録日 | 2018-11-12 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | | 主引用文献 | A structural and dynamic model for the assembly of Replication Protein A on single-stranded DNA.
Nat Commun, 9, 2018
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6AZW
 | | IDO1/FXB-001116 crystal structure | | 分子名称: | (2R)-N-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide, Indoleamine 2,3-dioxygenase 1 | | 著者 | Lewis, H.A, Lammens, A, Steinbacher, S. | | 登録日 | 2017-09-13 | | 公開日 | 2018-03-21 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6I9A
 | | Porphyromonas gingivalis gingipain K (Kgp) in complex with inhibitor KYT-36 | | 分子名称: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Gomis-Ruth, F.X, Guevara, T, Rofdriguez-Banqueri, A. | | 登録日 | 2018-11-22 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Structural determinants of inhibition of Porphyromonas gingivalis gingipain K by KYT-36, a potent, selective, and bioavailable peptidase inhibitor.
Sci Rep, 9, 2019
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6BNL
 | | Crystal structure of TCR-MHC-like molecule | | 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, Antigen-presenting glycoprotein CD1d1, ... | | 著者 | Le Nours, J, Rossjohn, J. | | 登録日 | 2017-11-16 | | 公開日 | 2018-04-04 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Dual Modifications of alpha-Galactosylceramide Synergize to Promote Activation of Human Invariant Natural Killer T Cells and Stimulate Anti-tumor Immunity.
Cell Chem Biol, 25, 2018
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6BJJ
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6BJI
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5NNC
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H3K9ac/K14ac) | | 分子名称: | Bromodomain-containing protein 4, Histone H3 | | 著者 | Filippakopoulos, P, Picaud, S, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | | 登録日 | 2017-04-08 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
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