7A49
 
 | | Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 6-bromo-5-chloro-1H-triazolo[4,5-b]pyridine | | 分子名称: | 6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, Casein kinase II subunit alpha, SULFATE ION | | 著者 | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | | 登録日 | 2020-08-19 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
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7G1Q
 | | Crystal Structure of human FABP5 in complex with (1S,2R)-2-[(5-carbamoyl-3-ethoxycarbonyl-4-methyl-2-thienyl)carbamoyl]cyclohexanecarboxylic acid | | 分子名称: | (1R,2S)-2-{[5-carbamoyl-3-(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid, DIMETHYL SULFOXIDE, Fatty acid-binding protein 5, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Rudolph, M.G. | | 登録日 | 2023-04-27 | | 公開日 | 2023-06-14 | | 最終更新日 | 2025-08-13 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands.
Acta Crystallogr D Struct Biol, 81, 2025
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5NKM
 | | SMG8-SMG9 complex | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Li, L, Basquin, J, Conti, E. | | 登録日 | 2017-03-31 | | 公開日 | 2017-04-19 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.493 Å) | | 主引用文献 | Structure of a SMG8-SMG9 complex identifies a G-domain heterodimer in the NMD effector proteins.
RNA, 23, 2017
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6QDC
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8T5I
 | | Crystal structure of human WDR5 in complex with MR4397 | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[(1H-imidazol-1-yl)methyl]benzamide, ... | | 著者 | Kimani, S, Dong, A, Li, F, Loppnau, P, Ackloo, S, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | 登録日 | 2023-06-13 | | 公開日 | 2023-08-09 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structure of human WDR5 in complex with MR4397
To be published
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8CHE
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7ZUI
 | | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with lactone 5Az - Streptococcus pneumoniae R6 | | 分子名称: | 6-azido-N-[(2R)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A. | | 登録日 | 2022-05-12 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones.
Acs Chem.Biol., 17, 2022
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8IBS
 | | Crystal structure of GH42 beta-galactosidase BiBga42A from Bifidobacterium longum subspecies infantis E160A/E318A mutant in complex with galactose | | 分子名称: | Beta-galactosidase, alpha-D-galactopyranose | | 著者 | Hidaka, M, Fushinobu, S, Gotoh, A, Katayama, T. | | 登録日 | 2023-02-10 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Substrate recognition mode of a glycoside hydrolase family 42 beta-galactosidase from Bifidobacterium longum subspecies infantis ( Bi Bga42A) revealed by crystallographic and mutational analyses.
Microbiome Res Rep, 2, 2023
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6GGG
 | | Mineralocorticoid receptor in complex with (s)-13 | | 分子名称: | 2-[(3~{S})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide, CHLORIDE ION, Mineralocorticoid receptor, ... | | 著者 | Edman, K, Aagaard, A, Tangefjord, S. | | 登録日 | 2018-05-03 | | 公開日 | 2019-01-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection.
J.Med.Chem., 62, 2019
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4Z0R
 | | Crystal Structure of the CW domain of ZCWPW2 mutant F78R in complex with histone H3 peptide | | 分子名称: | 1,2-ETHANEDIOL, Histone H3.1, SULFATE ION, ... | | 著者 | Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2015-03-26 | | 公開日 | 2015-04-08 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Crystal Structure of the CW domain of ZCWPW2 mutant F78R in complex with histone H3 peptide
To be Published
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4PCL
 | | X-ray crystal structure of an O-methyltransferase from Anaplasma phagocytophilum bound to SAM and a Manganese ion. | | 分子名称: | 1,2-ETHANEDIOL, MANGANESE (II) ION, O-methyltransferase family protein, ... | | 著者 | Fairman, J.W, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | 登録日 | 2014-04-15 | | 公開日 | 2014-06-18 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | An O-Methyltransferase Is Required for Infection of Tick Cells by Anaplasma phagocytophilum.
Plos Pathog., 11, 2015
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8D5D
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8B8T
 | | Open conformation of the complex of DNA ligase I on PCNA and DNA in the presence of ATP | | 分子名称: | DNA ligase 1, Proliferating cell nuclear antigen | | 著者 | Blair, K, Tehseen, M, Raducanu, V.S, Shahid, T, Lancey, C, Cruehet, R, Hamdan, S, De Biasio, A. | | 登録日 | 2022-10-05 | | 公開日 | 2023-01-11 | | 最終更新日 | 2025-07-09 | | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | | 主引用文献 | Mechanism of human Lig1 regulation by PCNA in Okazaki fragment sealing.
Nat Commun, 13, 2022
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6TBK
 | | Structure of a beta galactosidase with inhibitor | | 分子名称: | 5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide, Beta-galactosidase, putative, ... | | 著者 | Offen, W, Davies, G. | | 登録日 | 2019-11-01 | | 公開日 | 2020-08-19 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine.
Molecules, 25, 2020
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5NRI
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7UV0
 | | Structure of the sodium/iodide symporter (NIS) in complex with iodide and sodium | | 分子名称: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, IODIDE ION, SODIUM ION, ... | | 著者 | Ravera, S, Nicola, J.P, Salazar-De Simone, G, Sigworth, F, Karakas, E, Amzel, L.M, Bianchet, M, Carrasco, N. | | 登録日 | 2022-04-29 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural insights into the mechanism of the sodium/iodide symporter.
Nature, 612, 2022
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5IJG
 | | Crystal structure of O-acetylhomoserine sulfhydrolase from Brucella melitensis at 2.0 A resolution | | 分子名称: | Cys/Met metabolism pyridoxal-phosphate-dependent enzyme, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Boyko, K.M, Nikolaeva, A.Y, Koolikova, V.V, Kotlov, M.I, Demidkina, T.V, Popov, V.O. | | 登録日 | 2016-03-02 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of O-acetylhomoserine sulfhydrolase from Brucella melitensis at 2.0 A resolution
To Be Published
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6RWJ
 | | Crystal Structure of BRD4(1) bound to inhibitor BUG0 (6) | | 分子名称: | Bromodomain-containing protein 4, ~{N},3-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | | 著者 | Huegle, M. | | 登録日 | 2019-06-05 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
J.Med.Chem., 63, 2020
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6RV0
 | | human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma); with PMP in the active site | | 分子名称: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Serine--pyruvate aminotransferase | | 著者 | Giardina, G, Cutruzzola, F, Cellini, B, Mirco, D. | | 登録日 | 2019-05-30 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Cycloserine enantiomers are reversible inhibitors of human alanine:glyoxylate aminotransferase: implications for Primary Hyperoxaluria type 1.
Biochem.J., 476, 2019
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7APN
 | | Structure of Lipase TL from bulk agarose grown crystal | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Lipase, ... | | 著者 | Gavira, J.A, Martinez-Rodriguez, S, Fernande-Penas, R, Verdugo-Escamilla, C. | | 登録日 | 2020-10-19 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Production of Cross-Linked Lipase Crystals at a Preparative Scale.
Cryst.Growth Des., 21, 2021
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8BQK
 | | W-formate dehydrogenase from Desulfovibrio vulgaris - Soaking with Formate 22 min | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Vilela-Alves, G, Mota, C, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J. | | 登録日 | 2022-11-21 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.587 Å) | | 主引用文献 | Tracking W-Formate Dehydrogenase Structural Changes During Catalysis and Enzyme Reoxidation.
Int J Mol Sci, 24, 2022
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6ZBU
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8BQJ
 | | W-formate dehydrogenase from Desulfovibrio vulgaris - Soaking with Formate 5 min | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Vilela-Alves, G, Mota, C, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J. | | 登録日 | 2022-11-21 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.107 Å) | | 主引用文献 | Tracking W-Formate Dehydrogenase Structural Changes During Catalysis and Enzyme Reoxidation.
Int J Mol Sci, 24, 2022
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7UUZ
 | | Structure of the sodium/iodide symporter (NIS) in complex with perrhenate and sodium | | 分子名称: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, PERRHENATE, SODIUM ION, ... | | 著者 | Ravera, S, Nicola, J.P, Salazar-De Simone, G, Sigworth, F, Karakas, E, Amzel, L.M, Bianchet, M, Carrasco, N. | | 登録日 | 2022-04-29 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural insights into the mechanism of the sodium/iodide symporter.
Nature, 612, 2022
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3G0L
 | | Crystal Structure of Human Bromodomain Adjacent to Zinc finger domain 2B (BAZ2B) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B | | 著者 | Filippakopoulos, P, Keates, T, Salah, E, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2009-01-28 | | 公開日 | 2009-02-10 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Crystal Structure of Human Bromodomain Adjacent to Zinc finger domain 2B (BAZ2B)
To be Published
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