7ON5
 
 | | Crystal structure of the SARS-CoV-2 neutralizing nanobody Re5D06 | | 分子名称: | 1,2-ETHANEDIOL, ETHANOL, Nanobody Re5D06 | | 著者 | Aksu, M, Guttler, T, Gorlich, D. | | 登録日 | 2021-05-25 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Neutralization of SARS-CoV-2 by highly potent, hyperthermostable, and mutation-tolerant nanobodies.
Embo J., 40, 2021
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8JB7
 | | Crystal structure of CMY-185 | | 分子名称: | Beta-lactamase, SULFATE ION | | 著者 | Kawai, A, Doi, Y. | | 登録日 | 2023-05-08 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structural insights into the molecular mechanism of high-level ceftazidime-avibactam resistance conferred by CMY-185.
Mbio, 15, 2024
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7OZV
 | | SARS-CoV-2 RdRp with Molnupiravir/ NHC in the template strand base-paired with G | | 分子名称: | Non-structural protein 7, Non-structural protein 8, Product RNA, ... | | 著者 | Kabinger, F, Stiller, C, Schmitzova, J, Dienemann, C, Kokic, G, Hillen, H.S, Hoebartner, C, Cramer, P. | | 登録日 | 2021-06-28 | | 公開日 | 2021-08-18 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Mechanism of molnupiravir-induced SARS-CoV-2 mutagenesis.
Nat.Struct.Mol.Biol., 28, 2021
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7OVW
 | | Binding domain of botulinum neurotoxin E in complex with GD1a | | 分子名称: | N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Neurotoxin type E | | 著者 | Masuyer, G, Stenmark, P. | | 登録日 | 2021-06-15 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Mechanism of Ganglioside Receptor Recognition by Botulinum Neurotoxin Serotype E.
Int J Mol Sci, 22, 2021
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8JB8
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7OUF
 | | Structure of the STLV intasome:B56 complex bound to the strand-transfer inhibitor XZ450 | | 分子名称: | 4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), ... | | 著者 | Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N. | | 登録日 | 2021-06-11 | | 公開日 | 2021-08-18 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures.
Nat Commun, 12, 2021
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7OZU
 | | SARS-CoV-2 RdRp with Molnupiravir/ NHC in the template strand base-paired with A | | 分子名称: | Non-structural protein 7, Non-structural protein 8, Product RNA, ... | | 著者 | Kabinger, F, Stiller, C, Schmitzova, J, Dienemann, C, Kokic, G, Hillen, H.S, Hoebartner, C, Cramer, P. | | 登録日 | 2021-06-28 | | 公開日 | 2021-08-18 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Mechanism of molnupiravir-induced SARS-CoV-2 mutagenesis.
Nat.Struct.Mol.Biol., 28, 2021
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7OUG
 | | STLV-1 intasome:B56 in complex with the strand-transfer inhibitor raltegravir | | 分子名称: | DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), Integrase, ... | | 著者 | Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N. | | 登録日 | 2021-06-11 | | 公開日 | 2021-08-18 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures.
Nat Commun, 12, 2021
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7OUH
 | | Structure of the STLV intasome:B56 complex bound to the strand-transfer inhibitor bictegravir | | 分子名称: | Bictegravir, DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), ... | | 著者 | Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N. | | 登録日 | 2021-06-11 | | 公開日 | 2021-08-18 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures.
Nat Commun, 12, 2021
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8W9R
 | | Structure of Banna virus core | | 分子名称: | VP10, VP8, Vp2 | | 著者 | Li, Z, Cao, S. | | 登録日 | 2023-09-05 | | 公開日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (4.8 Å) | | 主引用文献 | Cryo-EM structures of Banna virus in multiple states reveal stepwise detachment of viral spikes.
Nat Commun, 15, 2024
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7OY4
 | | VDR complex of a side-chain hydroxylated derivatives of lithocholic acid | | 分子名称: | (3S,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | 著者 | Rochel, N. | | 登録日 | 2021-06-23 | | 公開日 | 2021-09-01 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design, synthesis and evaluation of side-chain hydroxylated derivatives of lithocholic acid as potent agonists of the vitamin D receptor (VDR).
Bioorg.Chem., 115, 2021
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7OXZ
 | | VDR complex with a side-chain hydroxylated derivative of lithocholic acid | | 分子名称: | (3R,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | 著者 | Rochel, N. | | 登録日 | 2021-06-23 | | 公開日 | 2021-09-01 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Design, synthesis and evaluation of side-chain hydroxylated derivatives of lithocholic acid as potent agonists of the vitamin D receptor (VDR).
Bioorg.Chem., 115, 2021
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7JPY
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7JQ4
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2C6W
 | | PENICILLIN-BINDING PROTEIN 1A (PBP-1A) FROM STREPTOCOCCUS PNEUMONIAE | | 分子名称: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1A, ZINC ION | | 著者 | Contreras-Martel, C, Job, V, Di Guilmi, A.-M, Vernet, T, Dideberg, O, Dessen, A. | | 登録日 | 2005-11-14 | | 公開日 | 2005-12-07 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Crystal Structure of Penicillin-Binding Protein 1A (Pbp1A) Reveals a Mutational Hotspot Implicated in Beta-Lactam Resistance in Streptococcus Pneumoniae.
J.Mol.Biol., 355, 2006
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2CCD
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2CI1
 | | Crystal Structure of dimethylarginine dimethylaminohydrolase I in complex with S-nitroso-Lhomocysteine | | 分子名称: | CITRIC ACID, NG, NG-DIMETHYLARGININE DIMETHYLAMINOHYDROLASE 1 | | 著者 | Frey, D, Braun, O, Briand, C, Vasak, M, Grutter, M.G. | | 登録日 | 2006-03-17 | | 公開日 | 2006-05-17 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | Structure of the Mammalian Nos Regulator Dimethylarginine Dimethylaminohydrolase: A Basis for the Design of Specific Inhibitors.
Structure, 14, 2006
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8W9P
 | | Structure of full Banna virus | | 分子名称: | VP10, VP2, VP4, ... | | 著者 | Li, Z, Cao, S. | | 登録日 | 2023-09-05 | | 公開日 | 2024-03-27 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (5.7 Å) | | 主引用文献 | Cryo-EM structures of Banna virus in multiple states reveal stepwise detachment of viral spikes.
Nat Commun, 15, 2024
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8JUB
 | | Crystal structure of glutaminase C in complex with compound 27 | | 分子名称: | 3-[2-oxidanylidene-2-[[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]amino]ethyl]benzoic acid, Glutaminase kidney isoform, mitochondrial | | 著者 | Wang, X, Hanyu, S, Tingting, D. | | 登録日 | 2023-06-26 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Targeting the Subpocket Enables the Discovery of Thiadiazole-Pyridazine Derivatives as Glutaminase C Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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2CI5
 | | Crystal structure of Dimethylarginine Dimethylaminohydrolase I in complex with L-homocysteine | | 分子名称: | 2-AMINO-4-MERCAPTO-BUTYRIC ACID, CITRIC ACID, NG, ... | | 著者 | Frey, D, Braun, O, Briand, C, Vasak, M, Grutter, M.G. | | 登録日 | 2006-03-17 | | 公開日 | 2006-05-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Structure of the Mammalian Nos Regulator Dimethylarginine Dimethylaminohydrolase: A Basis for the Design of Specific Inbitors
Structure, 14, 2006
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8JUE
 | | Crystal structure of glutaminase C in complex with compound 11 | | 分子名称: | 2-(3-phenoxyphenyl)-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial | | 著者 | Wang, X, Hanyu, S, Tingting, D. | | 登録日 | 2023-06-26 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Targeting the Subpocket Enables the Discovery of Thiadiazole-Pyridazine Derivatives as Glutaminase C Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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3B9N
 | | Crystal structure of long-chain alkane monooxygenase (LadA) | | 分子名称: | Alkane monooxygenase | | 著者 | Li, L, Yang, W, Xu, F, Bartlam, M, Rao, Z. | | 登録日 | 2007-11-06 | | 公開日 | 2008-01-15 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structure of long-chain alkane monooxygenase (LadA) in complex with coenzyme FMN: unveiling the long-chain alkane hydroxylase
J.Mol.Biol., 376, 2008
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2CIG
 | | Dihydrofolate reductase from Mycobacterium tuberculosis inhibited by the acyclic 4R isomer of INH-NADP a derivative of the prodrug isoniazid. | | 分子名称: | (4R)-ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE, DIHYDROFOLATE REDUCTASE, GLYCEROL, ... | | 著者 | Argyrou, A, Vetting, M.W, Aladegbami, B, Blanchard, J.S. | | 登録日 | 2006-03-20 | | 公開日 | 2006-04-25 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Mycobacterium Tuberculosis Dihydrofolate Reductase is a Target for Isoniazid
Nat.Struct.Mol.Biol., 13, 2006
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2CHZ
 | | A pharmacological map of the PI3-K family defines a role for p110alpha in signaling: The structure of complex of phosphoinositide 3-kinase gamma with inhibitor PIK-93 | | 分子名称: | N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | | 著者 | Knight, Z.A, Gonzalez, B, Feldman, M.E, Zunder, E.R, Goldenberg, D.D, Williams, O, Loewith, R, Stokoe, D, Balla, A, Toth, B, Balla, T, Weiss, W.A, Williams, R.L, Shokat, K.M. | | 登録日 | 2006-03-16 | | 公開日 | 2006-05-22 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A Pharmacological Map of the Pi3-K Family Defines a Role for P110Alpha in Signaling
Cell(Cambridge,Mass.), 125, 2006
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8OK0
 | | Crystal structure of human NQO1 in complex with the inhibitor PMSF | | 分子名称: | ACETYL GROUP, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Martin-Garcia, J.M, Grieco, A, Ruiz-Fresneda, M.A. | | 登録日 | 2023-03-26 | | 公開日 | 2023-11-01 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural dynamics at the active site of the cancer-associated flavoenzyme NQO1 probed by chemical modification with PMSF.
Febs Lett., 597, 2023
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