9BKO
 
 | | DHODH in complex with Ligand 26 | | 分子名称: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | | 著者 | Shaffer, P.L. | | 登録日 | 2024-04-29 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 67, 2024
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5JXA
 | | Crystal structure of ligand-free VRC03 antigen-binding fragment. | | 分子名称: | 1,2-ETHANEDIOL, COPPER (II) ION, PHOSPHATE ION, ... | | 著者 | Zhou, T, Moquin, S, Joyce, M.G, Mascola, J.R, Kwong, P.D. | | 登録日 | 2016-05-12 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Somatic Hypermutation-Induced Changes in the Structure and Dynamics of HIV-1 Broadly Neutralizing Antibodies.
Structure, 24, 2016
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9BIY
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2INZ
 | | Crystal Structure of Aldose Reductase complexed with 2-Hydroxyphenylacetic Acid | | 分子名称: | (2-HYDROXYPHENYL)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Harrison, D.H.T, Pape, E, Carlson, E, Brownlee, J.M. | | 登録日 | 2006-10-09 | | 公開日 | 2006-11-21 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural and thermodynamic studies of simple aldose reductase-inhibitor complexes.
Bioorg.Chem., 34, 2006
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5K0G
 | | Crystal Structure of COMT in complex with 4-[5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1,3-dimethylpyrazole | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-[(1S)-1-(4-methoxyphenyl)ethyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole, Catechol O-methyltransferase, ... | | 著者 | Ehler, A, rodriguez-Sarmiento, R.M, Rudolph, M.G. | | 登録日 | 2016-05-17 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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6T2K
 | | Furano[2,3-d]prymidine amides as Notum inhibitors | | 分子名称: | 1,2-ETHANEDIOL, 2-(6-chloranyl-7-cyclopropyl-thieno[3,2-d]pyrimidin-4-yl)sulfanylethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhao, Y, Jones, E.Y. | | 登録日 | 2019-10-08 | | 公開日 | 2020-01-01 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Scaffold-hopping identifies furano[2,3-d]pyrimidine amides as potent Notum inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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2IO5
 | | Crystal structure of the CIA- histone H3-H4 complex | | 分子名称: | ASF1A protein, Histone H3.1, Histone H4 | | 著者 | Natsume, R, Akai, Y, Horikoshi, M, Senda, T. | | 登録日 | 2006-10-10 | | 公開日 | 2007-02-27 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structure and function of the histone chaperone CIA/ASF1 complexed with histones H3 and H4.
Nature, 446, 2007
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9BIZ
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9BJ0
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5XWD
 | | Crystal structure of the complex of 059-152-Fv and EGFR-ECD | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ... | | 著者 | Matsuda, T, Ito, T, Shirouzu, M. | | 登録日 | 2017-06-29 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.894 Å) | | 主引用文献 | Cell-free synthesis of functional antibody fragments to provide a structural basis for antibody-antigen interaction
PLoS ONE, 13, 2018
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2IOD
 | | Binding of two substrate analogue molecules to dihydroflavonol-4-reductase alters the functional geometry of the catalytic site | | 分子名称: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, Dihydroflavonol 4-reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Petit, P, Langlois d'Estaintot, B, Granier, T, Gallois, B. | | 登録日 | 2006-10-10 | | 公開日 | 2007-09-11 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Binding of two substrate analogue molecules to dihydroflavonol-4-reductase alters the functional geometry of the catalytic site
To be Published
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5JYK
 | | Deg9 crystal under 289K | | 分子名称: | GLYCEROL, Protease Do-like 9 | | 著者 | Ouyang, M, Zhang, L.X. | | 登録日 | 2016-05-14 | | 公開日 | 2017-05-31 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.297 Å) | | 主引用文献 | The crystal structure of Deg9 reveals a novel octameric-type HtrA protease
Nat Plants, 3, 2017
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2IPI
 | | Crystal Structure of Aclacinomycin Oxidoreductase | | 分子名称: | Aclacinomycin oxidoreductase (AknOx), FLAVIN-ADENINE DINUCLEOTIDE, METHYL (2S,4R)-2-ETHYL-2,5,7-TRIHYDROXY-6,11-DIOXO-4-{[2,3,6-TRIDEOXY-4-O-{2,6-DIDEOXY-4-O-[(2S,6S)-6-METHYL-5-OXOTETRAHYDRO-2H -PYRAN-2-YL]-ALPHA-D-LYXO-HEXOPYRANOSYL}-3-(DIMETHYLAMINO)-D-RIBO-HEXOPYRANOSYL]OXY}-1,2,3,4,6,11-HEXAHYDROTETRACENE-1-C ARBOXYLATE | | 著者 | Sultana, A, Kursula, I, Schneider, G, Alexeev, I, Niemi, J, Mantsala, P. | | 登録日 | 2006-10-12 | | 公開日 | 2007-01-23 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structure determination by multiwavelength anomalous diffraction of aclacinomycin oxidoreductase: indications of multidomain pseudomerohedral twinning.
Acta Crystallogr.,Sect.D, 63, 2007
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6THP
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9B9M
 | | Crystal structure of iron-bound FlcD from Pseudomonas aeruginosa | | 分子名称: | FE (II) ION, Pyrroloquinoline quinone (Coenzyme PQQ) biosynthesis protein C | | 著者 | Walker, M.E, Grove, T.L, Li, B, Redinbo, M.R. | | 登録日 | 2024-04-02 | | 公開日 | 2024-07-31 | | 最終更新日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Structural Basis for Methine Excision by a Heme Oxygenase-like Enzyme.
Acs Cent.Sci., 10, 2024
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5JZ8
 | | Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, N-oxalylglycine, and factor X substrate peptide fragment (39mer) | | 分子名称: | ACETATE ION, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ... | | 著者 | McDonough, M.A, Pfeffer, I. | | 登録日 | 2016-05-16 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.095 Å) | | 主引用文献 | Aspartate/asparagine-beta-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern.
Nat Commun, 10, 2019
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9BUJ
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8HPV
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9BIU
 | | Cryo-EM structure of the mammalian peptide transporter PepT2 bound to cloxacillin, pose 2 | | 分子名称: | CLOXACILLIN, Solute carrier family 15 member 2, nanobody | | 著者 | Parker, J.L, Deme, J.C, Lea, S.M, Newstead, S. | | 登録日 | 2024-04-24 | | 公開日 | 2024-07-24 | | 最終更新日 | 2025-06-04 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structural basis for antibiotic transport and inhibition in PepT2.
Nat Commun, 15, 2024
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9BIB
 | | Rat GluN1-GluN2B NMDA receptor channel in complex with glycine, glutamate, and EU-1622-A, in open-channel conformation, C1 symmetry | | 分子名称: | GLUTAMIC ACID, GLYCINE, Glutamate receptor, ... | | 著者 | Chou, T.-H, Furukawa, H. | | 登録日 | 2024-04-23 | | 公開日 | 2024-07-31 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (3.81 Å) | | 主引用文献 | Molecular mechanism of ligand gating and opening of NMDA receptor.
Nature, 632, 2024
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5JZE
 | | Erve virus viral OTU domain protease in complex with mouse ISG15 | | 分子名称: | CITRATE ANION, RNA-dependent RNA polymerase, Ubiquitin-like protein ISG15, ... | | 著者 | Deaton, M.K, Dzimianski, J.V, Pegan, S.D. | | 登録日 | 2016-05-16 | | 公開日 | 2016-10-19 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Biochemical and Structural Insights into the Preference of Nairoviral DeISGylases for Interferon-Stimulated Gene Product 15 Originating from Certain Species.
J.Virol., 90, 2016
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9B9N
 | | Crystal structure of FlcD from Pseudomonas aeruginosa bound to iron (II) and substrate | | 分子名称: | (2R)-2-{[(2Z)-2-(hydroxyimino)ethyl]sulfanyl}butanedioic acid, FE (III) ION, Pyrroloquinoline quinone (Coenzyme PQQ) biosynthesis protein C | | 著者 | Walker, M.E, Grove, T.L, Li, B, Redinbo, M.R. | | 登録日 | 2024-04-02 | | 公開日 | 2024-07-31 | | 最終更新日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Structural Basis for Methine Excision by a Heme Oxygenase-like Enzyme.
Acs Cent.Sci., 10, 2024
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2IT9
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9BRW
 | | SARS-CoV-2 Papain-like Protease (PLpro) with Fragment 7 | | 分子名称: | CHLORIDE ION, N-(2-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Papain-like protease nsp3, ... | | 著者 | Amporndanai, K, Zhao, B, Fesik, S.W. | | 登録日 | 2024-05-11 | | 公開日 | 2024-07-31 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Fragment-Based Screen of SARS-CoV-2 Papain-like Protease (PL pro ).
Acs Med.Chem.Lett., 15, 2024
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5K00
 | | MELK in complex with NVS-MELK5 | | 分子名称: | 4-{2-[(3-methoxyphenyl)amino]-4-[(piperidin-4-yl)methoxy]pyrimidin-5-yl}-N-[2-oxo-2-(phenylamino)ethyl]benzamide, Maternal embryonic leucine zipper kinase | | 著者 | Sprague, E.R. | | 登録日 | 2016-05-17 | | 公開日 | 2017-03-01 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | "Addition" and "Subtraction": Selectivity Design for Type II Maternal Embryonic Leucine Zipper Kinase Inhibitors.
J. Med. Chem., 60, 2017
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