6TBI
 
 | | Structure of a beta galactosidase with inhibitor | | 分子名称: | (1S,2S,3S,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol, ACETATE ION, Beta-galactosidase, ... | | 著者 | Offen, W, Davies, G. | | 登録日 | 2019-11-01 | | 公開日 | 2020-08-19 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine.
Molecules, 25, 2020
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7QP9
 | | Outward-facing apo-form of auxin transporter PIN8 | | 分子名称: | 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Auxin efflux carrier component 8 | | 著者 | Ung, K.L, Winkler, M.B.L, Dedic, E, Stokes, D.L, Pedersen, B.P. | | 登録日 | 2022-01-03 | | 公開日 | 2022-07-06 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (2.89 Å) | | 主引用文献 | Structures and mechanism of the plant PIN-FORMED auxin transporter.
Nature, 609, 2022
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7LJJ
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8EXL
 | | Crystal structure of PI3K-alpha in complex with taselisib | | 分子名称: | 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | | 登録日 | 2022-10-25 | | 公開日 | 2022-11-30 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.989 Å) | | 主引用文献 | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
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6Y4U
 | | Crystal structure of p38 in complex with SR65 | | 分子名称: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pentan-3-ylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | | 著者 | Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-02-23 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
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9N1U
 | | High-resolution crystal structure of 2,3-diamino propanoic acid bound adenylation domain (A3) from Sulfazecin nonribosomal peptide synthetase SulM | | 分子名称: | 1,2-ETHANEDIOL, DIAMINOPROPANOIC ACID, Non-ribosomal peptide synthetase | | 著者 | Patel, K.D, Gulick, A.M. | | 登録日 | 2025-01-27 | | 公開日 | 2025-05-28 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | l-2,3-Diaminopropionate Binding Mode of the SulM Adenylation Domain Limits Engineering Monobactam Analogue Biosynthesis with Larger Substrates.
Jacs Au, 5, 2025
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6Y4T
 | | Crystal structure of p38 in complex with SR63. | | 分子名称: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-1-[[(2~{S})-butan-2-yl]amino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | | 著者 | Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-02-23 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
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9HJM
 | | Porphyromonas gingivalis BAM complex | | 分子名称: | (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, DUF4270 domain-containing protein, DUF4827 domain-containing protein, ... | | 著者 | Madej, M, Silale, A, van den Berg, B. | | 登録日 | 2024-11-29 | | 公開日 | 2025-11-19 | | 実験手法 | ELECTRON MICROSCOPY (3.24 Å) | | 主引用文献 | Structure of a distinct beta-barrel assembly machinery complex in the Bacteroidota.
Nat Microbiol, 10, 2025
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6Y53
 | | human 17S U2 snRNP low resolution part | | 分子名称: | HIV Tat-specific factor 1, Probable ATP-dependent RNA helicase DDX46, Small nuclear ribonucleoprotein E, ... | | 著者 | Zhang, Z, Will, C.L, Bertram, K, Luehrmann, R, Stark, H. | | 登録日 | 2020-02-24 | | 公開日 | 2020-06-17 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (7.1 Å) | | 主引用文献 | Molecular architecture of the human 17S U2 snRNP.
Nature, 583, 2020
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7YRY
 | | F1-ATPase of Acinetobacter baumannii | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | 著者 | Saw, W.-G, Grueber, G. | | 登録日 | 2022-08-11 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Atomic insights of an up and down conformation of the Acinetobacter baumannii F 1 -ATPase subunit epsilon and deciphering the residues critical for ATP hydrolysis inhibition and ATP synthesis.
Faseb J., 37, 2023
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6VFE
 | | Gasdermin D pore | | 分子名称: | Gasdermin-D, N-terminal | | 著者 | Xia, S, Ruan, J, Wu, H. | | 登録日 | 2020-01-03 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Gasdermin D pore structure reveals preferential release of mature interleukin-1.
Nature, 593, 2021
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7LK7
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8CHE
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8Q7B
 | | ABCG2 in complex with MZ29 and 5D3 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3(Fab) heavy chain variable domain, 5D3(Fab) light chain variable domain, ... | | 著者 | Kowal, J, Yu, Q, Ni, D, Stahlberg, H, Tajkhorshid, E, Altmann, K.H, Locher, K.P, Manolaridis, I, Jackson, S.M, Taylor, N.M.I, Zechner, M. | | 登録日 | 2023-08-16 | | 公開日 | 2024-11-06 | | 最終更新日 | 2024-11-27 | | 実験手法 | ELECTRON MICROSCOPY (2.56 Å) | | 主引用文献 | Modulation of ABCG2 Transporter Activity by Ko143 Derivatives.
Acs Chem.Biol., 19, 2024
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8SUN
 | | TMEM16F 1PBC | | 分子名称: | 1-Hydroxy-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, Anoctamin-6, ... | | 著者 | Wu, H, Feng, S, Cheng, Y. | | 登録日 | 2023-05-12 | | 公開日 | 2023-10-11 | | 最終更新日 | 2024-12-25 | | 実験手法 | ELECTRON MICROSCOPY (3.12 Å) | | 主引用文献 | Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase.
Nat Commun, 14, 2023
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9NYO
 | | Clostridium acetobutylicum alcohol dehydrogenase bound to NADP+, disordered nicotinamide | | 分子名称: | 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase | | 著者 | Madzelan, P, Wilson, M.A. | | 登録日 | 2025-03-28 | | 公開日 | 2025-07-02 | | 最終更新日 | 2025-09-10 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Is a Malleable Active Site Loop the Key to High Substrate Promiscuity? Hybrid, Biocatalytic Route to Structurally Diverse Taxoid Side Chains with Remarkable Dual Stereocontrol.
Angew.Chem.Int.Ed.Engl., 64, 2025
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6VF4
 | | DNA Polymerase Mu, 8-oxorGTP:At Reaction State Ternary Complex, 50 mM Mn2+ (30 min) | | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2020-01-03 | | 公開日 | 2021-09-01 | | 最終更新日 | 2025-09-03 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural basis for proficient oxidized ribonucleotide insertion in double strand break repair.
Nat Commun, 12, 2021
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6KF1
 | | Microbial Hormone-sensitive lipase- E53 mutant S162A | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HEXANOIC ACID, ... | | 著者 | Xiaochen, Y, Zhengyang, L, Xuewei, X, Jixi, L. | | 登録日 | 2019-07-05 | | 公開日 | 2020-07-08 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.996 Å) | | 主引用文献 | Functional and Structural Insights into Environmental Adaptation of a Novel Hormone-sensitive Lipase, E53, Obtained from Erythrobacter longus
To Be Published
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8C11
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4QPE
 | | Crystal structure of Aminopeptidase N in complex with N-cyclohexyl-1,2-diaminoethylphosphonic acid | | 分子名称: | Aminopeptidase N, SULFATE ION, ZINC ION, ... | | 著者 | Nocek, B, Mulligan, R, Berlicki, L, Vassilious, S, Mucha, A, Joachimiak, A. | | 登録日 | 2014-06-23 | | 公開日 | 2014-09-24 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.004 Å) | | 主引用文献 | Structure-guided, single-point modifications in the phosphinic dipeptide structure yield highly potent and selective inhibitors of neutral aminopeptidases.
J.Med.Chem., 57, 2014
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8QM9
 | | Potential drug binding sites for translation initiation factor eIF4E | | 分子名称: | (2~{R})-2-[(1~{S})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Cleasby, A. | | 登録日 | 2023-09-21 | | 公開日 | 2025-01-15 | | 最終更新日 | 2025-03-12 | | 実験手法 | X-RAY DIFFRACTION (1.973 Å) | | 主引用文献 | Integrating fragment-based screening with targeted protein degradation and genetic rescue to explore eIF4E function.
Nat Commun, 15, 2024
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6VFB
 | | DNA Polymerase Mu, 8-oxorGTP:Ct Reaction State Ternary Complex, 50 mM Mn2+ (960 min) | | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2020-01-03 | | 公開日 | 2021-09-01 | | 最終更新日 | 2025-09-03 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structural basis for proficient oxidized ribonucleotide insertion in double strand break repair.
Nat Commun, 12, 2021
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7T4T
 | | Crystal Structure of cGMP-dependent Protein Kinase | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | | 著者 | Zebisch, M, Silvestre, L, Fischmann, T.O. | | 登録日 | 2021-12-10 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Selective small molecule activation of PKG1alpha: structure and function
Commun Biol, 2023
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6VHJ
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8EU8
 | | Cryo-EM structure of CH848 10.17DT DS-SOSIP-2P Env | | 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, CH848 10.17DT SOSIP Envelope glycoprotein gp160 | | 著者 | Wrapp, D, Acharya, P, Haynes, B.F. | | 登録日 | 2022-10-18 | | 公開日 | 2023-01-04 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (3.73 Å) | | 主引用文献 | Structure-Based Stabilization of SOSIP Env Enhances Recombinant Ectodomain Durability and Yield.
J.Virol., 97, 2023
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