9F3Y
 
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8W0L
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8ZKD
 | | The Crystal Structure of the RON from Biortus. | | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, Macrophage-stimulating protein receptor beta chain, ... | | 著者 | Wang, F, Cheng, W, Yuan, Z, Qi, J, Pan, W. | | 登録日 | 2024-05-16 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | The Crystal Structure of the RON from Biortus.
To Be Published
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8UY2
 | | Methylenetetrahydrofolate reductase from Chaetomium thermophilum DSM 1495, AdoMet-bound, Inhibited (T) State | | 分子名称: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Yamada, K, Mendoza, J, Koutmos, M. | | 登録日 | 2023-11-12 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | | 主引用文献 | Structural basis of S-adenosylmethionine-dependent allosteric transition from active to inactive states in methylenetetrahydrofolate reductase.
Nat Commun, 15, 2024
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8XJ0
 | | Crystal structure of AmFab mutant - P40C/E165C (Light chain), G10C/P210C(Heavy chain) | | 分子名称: | Adalimumab Fab Heavy chain, Adalimumab Fab Light chain | | 著者 | Senda, M, Yoshikawa, M, Nakamura, H, Ohkuri, T, Senda, T. | | 登録日 | 2023-12-20 | | 公開日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Stabilization of adalimumab Fab through the introduction of disulfide bonds between the variable and constant domains.
Biochem.Biophys.Res.Commun., 700, 2024
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8V4P
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9EN2
 | | Crystal structure of the metalloproteinase enhancer PCPE-1 complexed with nanobodies VHH-H4 and VHH-I5 | | 分子名称: | CALCIUM ION, GLYCEROL, Procollagen C-endopeptidase enhancer 1, ... | | 著者 | Lagoutte, P, Gueguen-Chaignon, V, Bourhis, J.-M, Vadon-Le Goff, S. | | 登録日 | 2024-03-12 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Mono- and Bi-specific Nanobodies Targeting the CUB Domains of PCPE-1 Reduce the Proteolytic Processing of Fibrillar Procollagens.
J.Mol.Biol., 436, 2024
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9F4P
 | | UP1 in complex with Z1217960891 | | 分子名称: | (3S)-3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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8UFT
 | | Structure of human endothelial nitric oxide synthase P370N mutant heme domain in complex with 4-methyl-7-(4-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepin-7-yl)quinolin-2-amine | | 分子名称: | (7M)-4-methyl-7-(4-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinolin-2-amine, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2023-10-04 | | 公開日 | 2024-03-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase.
Biochemistry, 63, 2024
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8W0M
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8WG0
 | | Crystal structure of GH97 glucodextranase from Flavobacterium johnsoniae in complex with glucose | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Candidate alpha-glucosidase Glycoside hydrolase family 97, ... | | 著者 | Kurata, R, Nakamura, S, Miyazaki, T. | | 登録日 | 2023-09-20 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural insights into alpha-(1->6)-linkage preference of GH97 glucodextranase from Flavobacterium johnsoniae.
Febs J., 2024
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8WZU
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9F4O
 | | UP1 in complex with Z991506900 | | 分子名称: | (3~{R})-3-methyl-1-(6-methylpyridin-2-yl)piperazine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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8UFS
 | | Structure of human endothelial nitric oxide synthase E361Q mutant heme domain obtain after soaking crystal with 4-methyl-7-(4-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepin-7-yl)quinolin-2-amine dihydrochloride | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, CALCIUM ION, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2023-10-04 | | 公開日 | 2024-03-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase.
Biochemistry, 63, 2024
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8XEY
 | | The Crystal Structure of C-terminal kinase domain of RSK2 from Biortus | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ribosomal protein S6 kinase alpha-3 | | 著者 | Wang, F, Cheng, W, Lv, Z, Meng, Q, Zhang, B. | | 登録日 | 2023-12-13 | | 公開日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | The Crystal Structure of C-terminal kinase domain of RSK2 from Biortus
To Be Published
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8UQY
 | | Round 18 Arylesterase Variant of Phosphotriesterase Bound to Europium(III) Measured at 9.5 keV | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, EUROPIUM (III) ION, ... | | 著者 | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | | 登録日 | 2023-10-25 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
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9F4V
 | | UP1 in complex with EN300-118084 | | 分子名称: | 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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8XQD
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8VRI
 | | E. coli peptidyl-prolyl cis-trans isomerase containing difluoro-leucines | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NONAETHYLENE GLYCOL, ... | | 著者 | Frkic, R.L, Jackson, C.J. | | 登録日 | 2024-01-22 | | 公開日 | 2024-05-22 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Conformational Preferences of the Non-Canonical Amino Acids (2 S ,4 S )-5-Fluoroleucine, (2 S ,4 R )-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein.
Biochemistry, 63, 2024
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9F52
 | | UP1 in complex with Z734147462 | | 分子名称: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, [4-(methylamino)oxan-4-yl]methanol | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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8UTE
 | | Structure of SARS-Cov2 3CLPro in complex with Compound 27 | | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | 著者 | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | | 登録日 | 2023-10-31 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
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8Y9A
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8XGV
 | | Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction (PPI) Inhibitors | | 分子名称: | (2~{R},3~{S})-3-[[(2~{S})-2-[4-[(3-ethoxypyridin-2-yl)methyl]phenyl]-2-fluoranyl-ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ... | | 著者 | Otake, K, Hara, Y, Ubukata, M, Inoue, M, Nagahashi, N, Motoda, D, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K. | | 登録日 | 2023-12-15 | | 公開日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Inhibitors.
J.Med.Chem., 67, 2024
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9F4U
 | | UP1 in complex with Z111529496 | | 分子名称: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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8V2F
 | | Crystal structure of IRAK4 kinase domain with compound 9 | | 分子名称: | CHLORIDE ION, GLYCEROL, Interleukin-1 receptor-associated kinase 4, ... | | 著者 | Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N. | | 登録日 | 2023-11-22 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma.
J.Med.Chem., 2024
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