6YX3
 
 | | Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with ATP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Phosphoribosylaminoimidazole-succinocarboxamide synthase, ... | | 著者 | Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L. | | 登録日 | 2020-04-30 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach.
Acs Infect Dis., 8, 2022
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8BRO
 | | Structure of the N-terminal domain of BC2L-C lectin (1-131) in complex with a synthetic beta-fucosylamide | | 分子名称: | 5-[3-(aminomethyl)phenyl]-~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]furan-2-carboxamide, Lectin | | 著者 | Varrot, A, Lunstrom, J. | | 登録日 | 2022-11-23 | | 公開日 | 2023-02-08 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Identification of New L-Fucosyl and L-Galactosyl Amides as Glycomimetic Ligands of TNF Lectin Domain of BC2L-C from Burkholderia cenocepacia.
Molecules, 28, 2023
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6GT8
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6JWN
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6C16
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6KGT
 | | Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with faropenem | | 分子名称: | (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid, COBALT (II) ION, Penicillin-binding protein PbpB | | 著者 | Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H. | | 登録日 | 2019-07-12 | | 公開日 | 2020-03-11 | | 実験手法 | X-RAY DIFFRACTION (2.308 Å) | | 主引用文献 | Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation.
Mol.Pharmacol., 97, 2020
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7LFV
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6YVJ
 | | EED in complex with a triazolopyrimidine | | 分子名称: | GLYCEROL, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | | 著者 | Read, J.A. | | 登録日 | 2020-04-28 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Free energy perturbation in the design of EED ligands as inhibitors of polycomb repressive complex 2 (PRC2) methyltransferase.
Bioorg.Med.Chem.Lett., 39, 2021
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6C1B
 | | FGFR1 kinase complex with inhibitor SN37118 | | 分子名称: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1 | | 著者 | Yosaatmadja, Y, Smaill, J.B, Squire, C.J. | | 登録日 | 2018-01-04 | | 公開日 | 2019-01-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Understanding the structural requirements for covalent inhibition of FGFR1-3
To Be Published
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6GJ2
 | | PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - COMPLEX WITH INOSITOL HEXASULPHATE | | 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 | Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M. | | 登録日 | 2018-05-15 | | 公開日 | 2019-11-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Structure of a cereal purple acid phytase provides new insights to phytate degradation in plants.
Plant Commun., 3, 2022
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6QN4
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8T1A
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6GTL
 | | Achromobacter cycloclastes copper nitrite reductase at pH 6.0 | | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION, ... | | 著者 | Halsted, T.P, Eady, R.R, Antonyuk, S.V, Hasnain, S.S. | | 登録日 | 2018-06-18 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Catalytically important damage-free structures of a copper nitrite reductase obtained by femtosecond X-ray laser and room-temperature neutron crystallography.
Iucrj, 6, 2019
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6BP0
 | | Crystal Structure of the Human vaccinia-related kinase 1 bound to (R)-2-phenylaminopteridinone inhibitor | | 分子名称: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Counago, R.M, dos Reis, C.V, de Souza, G.P, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J, Structural Genomics Consortium (SGC) | | 登録日 | 2017-11-21 | | 公開日 | 2017-12-06 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal Structure of the Human vaccinia-related kinase 1 bound to (R)-2-phenylaminopteridinone inhibitor
To Be Published
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7LFU
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5VM4
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6QUK
 | | Protein crystallization by ionic liquid hydrogel support: glucose isomerase grown by using ionic liquid hydrogel | | 分子名称: | GLYCEROL, MANGANESE (II) ION, SULFATE ION, ... | | 著者 | Belviso, B.D, Caliandro, R, Caliandro, R. | | 登録日 | 2019-02-27 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Protein Crystallization in Ionic-Liquid Hydrogel Composite Membranes
Crystals, 9, 2019
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6GJJ
 | | Cyclophilin A complexed with tri-vector ligand 2. | | 分子名称: | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-propyl-carbamoyl]amino]ethanoate | | 著者 | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | | 登録日 | 2018-05-16 | | 公開日 | 2018-11-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.
Chem Sci, 10, 2019
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7RKS
 | | Structure of the SARS-CoV receptor binding domain in complex with the human neutralizing antibody Fab fragment, C118 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, C118 Antibody Fab Heavy Chain, ... | | 著者 | Jette, C.A, Bjorkman, P.J, Barnes, C.O. | | 登録日 | 2021-07-22 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Broad cross-reactivity across sarbecoviruses exhibited by a subset of COVID-19 donor-derived neutralizing antibodies.
Cell Rep, 36, 2021
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6C1U
 | | MBD2 in complex with a deoxy-oligonucleotide | | 分子名称: | 12-mer DNA, Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION | | 著者 | Lei, M, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2018-01-05 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis for the ability of MBD domains to bind methyl-CG and TG sites in DNA.
J. Biol. Chem., 293, 2018
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7LTN
 | | Crystal structure of Mpro in complex with inhibitor CDD-1713 | | 分子名称: | 2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide, 3C-like proteinase | | 著者 | Lu, S, Palzkill, T, Matzuk, M, Young, D, Melek, N, Chamakuri, S. | | 登録日 | 2021-02-19 | | 公開日 | 2021-11-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | DNA-encoded chemistry technology yields expedient access to SARS-CoV-2 M pro inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7RMQ
 | | Crystal structure of cycloviolacin O2 | | 分子名称: | Cycloviolacin O2, D-[I11L]cycloviolacin O2, FORMIC ACID | | 著者 | Huang, Y.H, Du, Q. | | 登録日 | 2021-07-28 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | Enabling Efficient Folding and High-Resolution Crystallographic Analysis of Bracelet Cyclotides.
Molecules, 26, 2021
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6YY9
 | | Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 4-azanyl-6-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile, Phosphoribosylaminoimidazole-succinocarboxamide synthase, ... | | 著者 | Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L. | | 登録日 | 2020-05-04 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.413 Å) | | 主引用文献 | Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach.
Acs Infect Dis., 8, 2022
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6QUW
 | | Crystal Structure of KRAS-G12D in Complex with Natural Product-Like Compound 9b | | 分子名称: | (3~{a}~{R},8~{b}~{S})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{H}-pyrrolo[2,3-b]indole, GTPase KRas, MAGNESIUM ION, ... | | 著者 | Fischer, G, Kessler, D, Muellauer, B, Wolkerstorfer, B. | | 登録日 | 2019-02-28 | | 公開日 | 2019-07-31 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.242 Å) | | 主引用文献 | KRAS Binders Hidden in Nature.
Chemistry, 25, 2019
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6QNX
 | | Structure of the SA2/SCC1/CTCF complex | | 分子名称: | Cohesin subunit SA-2, Double-strand-break repair protein rad21 homolog, Transcriptional repressor CTCF | | 著者 | Li, Y, Muir, K.W, Panne, D. | | 登録日 | 2019-02-12 | | 公開日 | 2020-01-22 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | The structural basis for cohesin-CTCF-anchored loops.
Nature, 578, 2020
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