8AIJ
 
 | | STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PAO1 IN COMPLEX WITH N-(alpha-L-Fucopyranosyl)benzamide (6) | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Fucose-binding lectin PA-IIL, ... | | 著者 | Meiers, J, Mala, P, Varrot, A, Siebs, E, Imberty, A, Titz, A. | | 登録日 | 2022-07-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Discovery of N -beta-l-Fucosyl Amides as High-Affinity Ligands for the Pseudomonas aeruginosa Lectin LecB.
J.Med.Chem., 65, 2022
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6F5L
 | | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor JHU2379 | | 分子名称: | (2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Barinka, C, Novakova, Z, Motlova, L. | | 登録日 | 2017-12-01 | | 公開日 | 2018-12-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors.
Bioorg.Med.Chem., 27, 2019
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6YC1
 | | Crystal structure of the H30A mutant of the light-driven sodium pump KR2 in the pentameric form, pH 8.0 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ... | | 著者 | Kovalev, K, Gushchin, I, Gordeliy, V. | | 登録日 | 2020-03-18 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Molecular mechanism of light-driven sodium pumping.
Nat Commun, 11, 2020
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6PSB
 | | Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 18 (5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one) | | 分子名称: | 5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one, Bromodomain-containing protein 4 | | 著者 | Ilyichova, O.V, Scanlon, M.J. | | 登録日 | 2019-07-12 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Synthesis and elaboration of N-methylpyrrolidone as an acetamide fragment substitute in bromodomain inhibition.
Bioorg.Med.Chem., 27, 2019
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7KV0
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7KX6
 | | Crystal structure of DCLK1-KD in complex with XMD8-85 | | 分子名称: | 2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Serine/threonine-protein kinase DCLK1 | | 著者 | Patel, O, Lucet, I. | | 登録日 | 2020-12-03 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for small molecule targeting of Doublecortin Like Kinase 1 with DCLK1-IN-1.
Commun Biol, 4, 2021
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7Q7K
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6FCG
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5H2R
 | | Crystal structure of T brucei phosphodiesterase B2 bound to compound 15b | | 分子名称: | (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-(2-hydroxyethyloxy)-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, MAGNESIUM ION, Phosphodiesterase, ... | | 著者 | Noble, C.G. | | 登録日 | 2016-10-17 | | 公開日 | 2017-11-01 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Trypanosomal Phosphodiesterase B1 and B2 as a Potential Therapy for Human African Trypanosomiasis
To Be Published
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6JG2
 | | Crystal structure of barley exohydrolaseI wildtype in complex with 4'-nitrophenyl thiolaminaribioside | | 分子名称: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-nitrophenoxy)-3,5-bis(oxidanyl)oxan-4-yl]sulfanyl-oxane-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Barley exohydrolase I, ... | | 著者 | Luang, S, Streltsov, V.A, Hrmova, M. | | 登録日 | 2019-02-13 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
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8B26
 | | Dihydroprecondylocarpine acetate synthase 2 from Tabernanthe iboga | | 分子名称: | Dihydroprecondylocarpine acetate synthase 2, ZINC ION | | 著者 | Langley, C, Basquin, J, Caputi, L, O'Connor, S.E. | | 登録日 | 2022-09-13 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism.
Angew.Chem.Int.Ed.Engl., 61, 2022
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6PT7
 | | Structure of KatE1 catalase from Acinetobacter sp. Ver3 | | 分子名称: | CHLORIDE ION, Catalase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Gonzalez, J.M, Sartorio, M.G, Cortez, N. | | 登録日 | 2019-07-15 | | 公開日 | 2020-07-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structure and functional properties of the cold-adapted catalase from Acinetobacter sp. Ver3 native to the Atacama plateau in northern Argentina
Acta Crystallogr.,Sect.D, D77, 2021
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6Y9G
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6Q0Z
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7KI3
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6JGD
 | | Crystal structure of barley exohydrolaseI W286Y mutant in complex with methyl 6-thio-beta-gentiobioside | | 分子名称: | ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, GLYCEROL, ... | | 著者 | Luang, S, Streltsov, V.A, Hrmova, M. | | 登録日 | 2019-02-13 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
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6FDQ
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5W1Y
 | | SETD8 in complex with a covalent inhibitor | | 分子名称: | 2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione, N-lysine methyltransferase KMT5A, UNKNOWN ATOM OR ION | | 著者 | Tempel, W, Yu, W, Li, Y, Blum, G, Luo, M, Pittella-Silva, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | 登録日 | 2017-06-05 | | 公開日 | 2017-06-21 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | SETD8 in complex with a covalent inhibitor
to be published
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6Y9N
 | | Crystal structure of Whirlin PDZ3_C-ter in complex with Myosin 15a C-terminal PDZ binding motif peptide | | 分子名称: | Unconventional myosin-XV, Whirlin | | 著者 | Zhu, Y, Delhommel, F, Haouz, A, Caillet-Saguy, C, Vaney, M, Mechaly, A.E, Wolff, N. | | 登録日 | 2020-03-10 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Deciphering the Unexpected Binding Capacity of the Third PDZ Domain of Whirlin to Various Cochlear Hair Cell Partners.
J.Mol.Biol., 432, 2020
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6CSP
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6Y9O
 | | Crystal structure of Whirlin PDZ3_C-ter in complex with CASK internal PDZ binding motif peptide | | 分子名称: | Peripheral plasma membrane protein CASK, Whirlin | | 著者 | Zhu, Y, Delhommel, F, Haouz, A, Caillet-Saguy, C, Vaney, M, Mechaly, A.E, Wolff, N. | | 登録日 | 2020-03-10 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.632 Å) | | 主引用文献 | Deciphering the Unexpected Binding Capacity of the Third PDZ Domain of Whirlin to Various Cochlear Hair Cell Partners.
J.Mol.Biol., 432, 2020
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7L3V
 | | PEPCK MMQX structure 120ms post-mixing with oxaloacetic acid | | 分子名称: | CARBON DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ... | | 著者 | Clinger, J.A, Moreau, D.W, McLeod, M.J, Holyoak, T, Thorne, R.E. | | 登録日 | 2020-12-18 | | 公開日 | 2021-10-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Millisecond mix-and-quench crystallography (MMQX) enables time-resolved studies of PEPCK with remote data collection.
Iucrj, 8, 2021
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8STI
 | | human STING with agonist XMT-1616 | | 分子名称: | 3-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-3H-imidazo[4,5-b]pyridine-6-carboxamide, Stimulator of interferon genes protein | | 著者 | Duvall, J.R, Bukhalid, R.A. | | 登録日 | 2023-05-10 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates.
J.Med.Chem., 66, 2023
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8S9N
 | | DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - C2 crystal form | | 分子名称: | 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN | | 著者 | Zhou, J, Horton, J.R, Cheng, X. | | 登録日 | 2023-03-29 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
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7L36
 | | PEPCK steady-state structure with Mn and GTP | | 分子名称: | CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ... | | 著者 | Clinger, J.A, Moreau, D.W, McLeod, M.J, Holyoak, T, Thorne, R.E. | | 登録日 | 2020-12-17 | | 公開日 | 2021-10-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Millisecond mix-and-quench crystallography (MMQX) enables time-resolved studies of PEPCK with remote data collection.
Iucrj, 8, 2021
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