6HWJ
| Glucosamine kinase (crystal form A) | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Manso, J.A, Pereira, P.J.B. | 登録日 | 2018-10-12 | 公開日 | 2019-05-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.979 Å) | 主引用文献 | Molecular Fingerprints for a Novel Enzyme Family in Actinobacteria with Glucosamine Kinase Activity. Mbio, 10, 2019
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8Q3L
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6HMM
| POLYADPRIBOSYL GLYCOHYDROLASE IN COMPLEX WITH PDD00013907 | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, Poly(ADP-ribose) glycohydrolase, ... | 著者 | Tucker, J.A, Brassington, C, Hassall, G. | 登録日 | 2018-09-12 | 公開日 | 2018-11-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides. J.Med.Chem., 61, 2018
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6GU2
| CDK1/CyclinB/Cks2 in complex with Flavopiridol | 分子名称: | 2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, ... | 著者 | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | 登録日 | 2018-06-19 | 公開日 | 2018-12-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
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6H3A
| Crystal structure of the KAP1 RBCC domain in complex with the SMARCAD1 CUE1 domain. | 分子名称: | SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A containing DEAD/H box 1, Transcription intermediary factor 1-beta, ZINC ION | 著者 | Newman, J.A, Aitkenhead, H, Lim, M, Williams, H.L, Svejstrup, J.Q, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2018-07-17 | 公開日 | 2019-06-26 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (5.505 Å) | 主引用文献 | A Ubiquitin-Binding Domain that Binds a Structural Fold Distinct from that of Ubiquitin. Structure, 27, 2019
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6GUB
| CDK2/CyclinA in complex with Flavopiridol | 分子名称: | 2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one, Cyclin-A2, Cyclin-dependent kinase 2 | 著者 | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | 登録日 | 2018-06-19 | 公開日 | 2018-12-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
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6GI4
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6GL8
| Crystal structure of Bcl-2 in complex with the novel orally active inhibitor S55746 | 分子名称: | Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide | 著者 | Casara, P, Davidson, J, Claperon, A, Le Toumelin-Braizat, G, Vogler, M, Bruno, A, Chanrion, M, Lysiak-Auvity, G, Le Diguarher, T, Starck, J.B, Chen, I, Whitehead, N, Graham, C, Matassova, N, Dokurno, P, Pedder, C, Wang, Y, Qiu, S, Girard, A.M, Schneider, E, Grave, F, Studeny, A, Guasconi, G, Rocchetti, F, Maiga, S, Henlin, J.M, Colland, F, Kraus-Berthier, L, Le Gouill, S, Dyer, M.J.S, Hubbard, R, Wood, M, Amiot, M, Cohen, G.M, Hickman, J.A, Morris, E, Murray, J, Geneste, O. | 登録日 | 2018-05-23 | 公開日 | 2018-11-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | S55746 is a novel orally active BCL-2 selective and potent inhibitor that impairs hematological tumor growth. Oncotarget, 9, 2018
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6GU3
| CDK1/CyclinB/Cks2 in complex with AZD5438 | 分子名称: | 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, ... | 著者 | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | 登録日 | 2018-06-19 | 公開日 | 2018-12-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
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6GXX
| Fab fragment of an antibody selective for alpha-1-antitrypsin in the native conformation | 分子名称: | FAB 1D9 heavy chain, FAB 1D9 light chain, MAGNESIUM ION | 著者 | Elliston, E.L.K, Miranda, E, Perez, J, Lomas, D.A, Irving, J.A. | 登録日 | 2018-06-27 | 公開日 | 2019-07-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Characterisation of a monoclonal antibody conformationally-selective for native alpha-1-antitrypsin To Be Published
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6I7U
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8U1C
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6FZS
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8U1S
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6GCV
| Ligand binding domain (LBD) of the p. aeruginosa nitrate receptor McpN | 分子名称: | ACETATE ION, Chemotaxis transducer, NITRATE ION, ... | 著者 | Gavira, J.A, Krell, T, Martin-Mora, D, Ortega, A. | 登録日 | 2018-04-19 | 公開日 | 2018-09-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | The Molecular Mechanism of Nitrate Chemotaxis via Direct Ligand Binding to the PilJ Domain of McpN. MBio, 10, 2019
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8U50
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8U1Q
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8U51
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6FU4
| Ligand binding domain (LBD) of the p. aeruginosa histamine receptor TlpQ | 分子名称: | ACETATE ION, GLYCEROL, HISTAMINE, ... | 著者 | Gavira, J.A, Krell, T, Conejero-Muriel, M, Corral-Lugo, A, Matilla, M.A, Silva Jimenez, H, Mesa Torres, N, Martin-Mora, D. | 登録日 | 2018-02-26 | 公開日 | 2018-05-16 | 最終更新日 | 2018-11-28 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | High-Affinity Chemotaxis to Histamine Mediated by the TlpQ Chemoreceptor of the Human Pathogen Pseudomonas aeruginosa. MBio, 9, 2018
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5HRW
| Crystal structure of the fifth bromodomain of human PB1 in complex with 1-propylisochromeno[3,4-c]pyrazol-5(2H)-one) compound | 分子名称: | 1,2-ETHANEDIOL, 1-propylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1, ... | 著者 | Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S. | 登録日 | 2016-01-24 | 公開日 | 2016-10-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis. J.Med.Chem., 59, 2016
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8UIW
| yjdF riboswitch from R. gauvreauii in complex with chelerythrine bound to Fab BL3-6 S97N | 分子名称: | 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, Fab BL3-6 S97N heavy chain, Fab BL3-6 S97N light chain, ... | 著者 | Krochmal, D, Lewicka, A, Piccirilli, J.A. | 登録日 | 2023-10-10 | 公開日 | 2024-04-10 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | 主引用文献 | Structural basis for promiscuity in ligand recognition by yjdF riboswitch. Cell Discov, 10, 2024
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8U4Z
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8STD
| S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with authentic substrate NaAD and soaked with CS2 | 分子名称: | MAGNESIUM ION, NICOTINIC ACID ADENINE DINUCLEOTIDE, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase | 著者 | Chatterjee, S, Rankin, J.A, Hu, J, Hausinger, R.P. | 登録日 | 2023-05-10 | 公開日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structure of the LarB-Substrate Complex and Identification of a Reaction Intermediate during Nickel-Pincer Nucleotide Cofactor Biosynthesis. Biochemistry, 62, 2023
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8SOQ
| S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with authentic substrate NaAD | 分子名称: | MAGNESIUM ION, NICOTINIC ACID ADENINE DINUCLEOTIDE, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase | 著者 | Chatterjee, S, Rankin, J.A, Hu, J, Hausinger, R.P. | 登録日 | 2023-04-29 | 公開日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structure of the LarB-Substrate Complex and Identification of a Reaction Intermediate during Nickel-Pincer Nucleotide Cofactor Biosynthesis. Biochemistry, 62, 2023
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6I7N
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