8VRG
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![BU of 8vrg by Molmil](/molmil-images/mine/8vrg) | E. coli peptidyl-prolyl cis-trans isomerase containing delta1-monofluoro-leucines | 分子名称: | Peptidyl-prolyl cis-trans isomerase B | 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 (1.22 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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8VRE
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![BU of 8vre by Molmil](/molmil-images/mine/8vre) | Structure of PYCR1 complexed with NADH and N-formyl-L-proline | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-formyl-L-proline, Pyrroline-5-carboxylate reductase 1, ... | 著者 | Tanner, J.J, Meeks, K.R. | 登録日 | 2024-01-21 | 公開日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1) Protein Sci., 33, 2024
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8VRD
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8VR7
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![BU of 8vr7 by Molmil](/molmil-images/mine/8vr7) | crystal structure of the Pcryo_0619 N-acetyltransferase from Psychrobacter cryohalolentis K5 int he presence of acetyl coenzyme A | 分子名称: | 1,2-ETHANEDIOL, 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, ... | 著者 | Dunsirn, M.M, Bockhaus, N.J, Thoden, J.B, Holden, H.M. | 登録日 | 2024-01-20 | 公開日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Biochemical Investigation of the Enzymes Required for the Production of 2,3,4-triacetoamido-2,3,4-trideoxy-l-arabinose in Psychrobacter cryohalolentis K5 To Be Published
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8VR6
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![BU of 8vr6 by Molmil](/molmil-images/mine/8vr6) | crystal structure of the Pcryo_0619 N-acetryltransferase from Psychrobacter cryohalolentis K5 in the presence of CoA-disulfide | 分子名称: | Acetyltransferase, putative, [[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate | 著者 | Dunsirn, M.M, Bockhaus, N.J, Thoden, J.B, Holden, H.M. | 登録日 | 2024-01-20 | 公開日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Biochemical Investigation of the Enzymes Required for the Production of 2,3,4-triacetoamido-2,3,4-trideoxy-l-arabinose in Psychrobacter cryohalolentis K5 To Be Published
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8VR5
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![BU of 8vr5 by Molmil](/molmil-images/mine/8vr5) | crystal structure of the Pcryo_0618 aminotransferase from Psychrobacter cryohalolentis K5 in the presence of PMP and glutamate | 分子名称: | 1,2-ETHANEDIOL, 2,2'-(1,4-diazepane-1,4-diyl)di(ethane-1-sulfonic acid), 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ... | 著者 | Bockhaus, N.J, Thoden, J.B, Holden, H.M. | 登録日 | 2024-01-20 | 公開日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Biochemical Investigation of the Enzymes Required for the Production of 2,3,4-triacetoamido-2,3,4-trideoxy-l-arabinose in Psychrobacter cryohalolentis K5 To Be Published
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8VR3
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![BU of 8vr3 by Molmil](/molmil-images/mine/8vr3) | crystal structure of the Pcryo_0618 aminotransferase from Psychrobacter cryohalolentis K5 in the presence of its internal aldimine | 分子名称: | 1,2-ETHANEDIOL, 2,2'-(1,4-diazepane-1,4-diyl)di(ethane-1-sulfonic acid), CHLORIDE ION, ... | 著者 | Bockhaus, N.J, Thoden, J.B, Holden, H.M. | 登録日 | 2024-01-20 | 公開日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Biochemical Investigation of the Enzymes Required for the Production of 2,3,4-triacetoamido-2,3,4-trideoxy-l-arabinose in Psychrobacter cryohalolentis K5 To Be Published
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8VR2
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![BU of 8vr2 by Molmil](/molmil-images/mine/8vr2) | Crystal structure of the Pcryo_0617 oxidoreductase/decarboxylase from Psychrobacter cryohalolentis K5 in the presence of NAD and UDP | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NAD-dependent epimerase/dehydratase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Bockhaus, N.J, Thoden, J.B, Holden, H.M. | 登録日 | 2024-01-20 | 公開日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Biochemical Investigation of the Enzymes Required for the Production of 2,3,4-triacetoamido-2,3,4-trideoxy-l-arabinose in Psychrobacter cryohalolentis K5 To Be Published
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8VR1
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8VR0
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8VQZ
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8VQY
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![BU of 8vqy by Molmil](/molmil-images/mine/8vqy) | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus methaqualone | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one, GAMMA-AMINO-BUTANOIC ACID, ... | 著者 | Chojnacka, W, Teng, J, Kim, J.J, Jensen, A.A, Hibbs, R.E. | 登録日 | 2024-01-19 | 公開日 | 2024-06-26 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (2.82 Å) | 主引用文献 | Structural insights into GABA A receptor potentiation by Quaalude. Nat Commun, 15, 2024
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8VQW
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8VQR
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![BU of 8vqr by Molmil](/molmil-images/mine/8vqr) | Crystal structure of chimeric SARS-CoV-2 RBD complexed with chimeric raccoon dog ACE2 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Hsueh, F.-C, Shi, K, Aihara, H, Li, F. | 登録日 | 2024-01-19 | 公開日 | 2024-05-01 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.565 Å) | 主引用文献 | Structural basis for raccoon dog receptor recognition by SARS-CoV-2 To Be Published
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8VQQ
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![BU of 8vqq by Molmil](/molmil-images/mine/8vqq) | Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6S | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ... | 著者 | Lin, T.H, Zhu, Y, Wilson, I.A. | 登録日 | 2024-01-19 | 公開日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry. Proc.Natl.Acad.Sci.USA, 121, 2024
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8VQN
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![BU of 8vqn by Molmil](/molmil-images/mine/8vqn) | Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6R | 分子名称: | (S~1~S,3R)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | 著者 | Lin, T.H, Zhu, Y, Wilson, I.A. | 登録日 | 2024-01-18 | 公開日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry. Proc.Natl.Acad.Sci.USA, 121, 2024
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8VQM
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![BU of 8vqm by Molmil](/molmil-images/mine/8vqm) | Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6R prime | 分子名称: | (S~1~S,3R)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Lin, T.H, Zhu, Y, Wilson, I.A. | 登録日 | 2024-01-18 | 公開日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry. Proc.Natl.Acad.Sci.USA, 121, 2024
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8VQL
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![BU of 8vql by Molmil](/molmil-images/mine/8vql) | Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6S prime | 分子名称: | (S~1~S,3S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Lin, T.H, Zhu, Y, Wilson, I.A. | 登録日 | 2024-01-18 | 公開日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry. Proc.Natl.Acad.Sci.USA, 121, 2024
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8VQ4
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![BU of 8vq4 by Molmil](/molmil-images/mine/8vq4) | CDK2-CyclinE1 in complex with allosteric inhibitor I-125A. | 分子名称: | (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | 著者 | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | 登録日 | 2024-01-17 | 公開日 | 2024-01-31 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Expanding the ligandable proteome by paralog hopping with covalent probes. Biorxiv, 2024
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8VQ3
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![BU of 8vq3 by Molmil](/molmil-images/mine/8vq3) | CDK2-CyclinE1 in complex with allosteric inhibitor I-198. | 分子名称: | (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | 著者 | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | 登録日 | 2024-01-17 | 公開日 | 2024-01-31 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Expanding the ligandable proteome by paralog hopping with covalent probes. Biorxiv, 2024
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8VQ1
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![BU of 8vq1 by Molmil](/molmil-images/mine/8vq1) | Pseudomonas fluorescens G150T isocyanide hydratase at 298 K XFEL data, thioimidate intermediate | 分子名称: | CHLORIDE ION, Isonitrile hydratase InhA, N-(4-nitrophenyl)methanimine | 著者 | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | 登録日 | 2024-01-17 | 公開日 | 2024-02-21 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography. Sci Adv, 10, 2024
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8VPW
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![BU of 8vpw by Molmil](/molmil-images/mine/8vpw) | Pseudomonas fluorescens G150T isocyanide hydratase at 298 K XFEL data, free enzyme | 分子名称: | CHLORIDE ION, Isonitrile hydratase InhA | 著者 | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | 登録日 | 2024-01-17 | 公開日 | 2024-02-21 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography. Sci Adv, 10, 2024
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8VPO
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![BU of 8vpo by Molmil](/molmil-images/mine/8vpo) | X-Ray Crystal Structure of TigE from Paramaledivibacter caminithermalis | 分子名称: | GLYCEROL, IRON/SULFUR CLUSTER, Radical SAM core domain-containing protein | 著者 | Grove, T.L, Lachowicz, J.C, Zizola, C. | 登録日 | 2024-01-16 | 公開日 | 2024-02-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Structural, Biochemical, and Bioinformatic Basis for Identifying Radical SAM Cyclopropyl Synthases. Acs Chem.Biol., 19, 2024
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8VOV
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![BU of 8vov by Molmil](/molmil-images/mine/8vov) | Structure of VCP in complex with an ATPase activator and ADP (D2 domains only, hexameric form) | 分子名称: | (3R)-N-[2-(ethylsulfanyl)phenyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | 著者 | Jones, N.H, Urnivicius, L, Kapoor, T.M. | 登録日 | 2024-01-16 | 公開日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Allosteric activation of VCP, an AAA unfoldase, by small molecule mimicry. Proc.Natl.Acad.Sci.USA, 121, 2024
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8VOI
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