7UC6
 
 | | Stat5a Core in complex with Compound 12 | | 分子名称: | N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(4-bromophenyl)-N,N-dimethyl-beta-alaninamide, Signal transducer and activator of transcription 5A | | 著者 | Meagher, J.L, Stuckey, J.A. | | 登録日 | 2022-03-16 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (3.101 Å) | | 主引用文献 | Discovery of a Potent and Selective STAT5 PROTAC Degrader with Strong Antitumor Activity In Vivo in Acute Myeloid Leukemia.
J.Med.Chem., 66, 2023
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8AXE
 | | Small molecule stabilizer for ERalpha and 14-3-3 (1074210) | | 分子名称: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide, Estrogen receptor, ... | | 著者 | Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M. | | 登録日 | 2022-08-31 | | 公開日 | 2023-09-20 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
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8UZD
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5X5D
 | | Human thymidylate synthase bound with dUMP | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | | 著者 | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | | 登録日 | 2017-02-15 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
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7RZP
 | | Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae R2866 | | 分子名称: | 1,2-ETHANEDIOL, ACETIC ACID, Dihydropteridine reductase, ... | | 著者 | Maltseva, N, Kim, Y, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2021-08-27 | | 公開日 | 2021-09-29 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Functional and Structural Characterization of Diverse NfsB Chloramphenicol Reductase Enzymes from Human Pathogens.
Microbiol Spectr, 10, 2022
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8OH8
 | | Crystal structure of the cysteine-rich Gallus gallus urate oxidase in complex with the 8-azaxanthine inhibitor under reducing conditions (space group P 21 21 21) | | 分子名称: | 1,2-ETHANEDIOL, 8-AZAXANTHINE, CHLORIDE ION, ... | | 著者 | Di Palma, M, Chegkazi, M, Bui, S, Mori, G, Percudani, R, Steiner, R.A. | | 登録日 | 2023-03-20 | | 公開日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Cysteine Enrichment Mediates Co-Option of Uricase in Reptilian Skin and Transition to Uricotelism.
Mol.Biol.Evol., 40, 2023
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7NEL
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7S42
 | | Crystal structure of an N-acetyltransferase from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-acetamido-3,6-dideoxy-D-galactose | | 分子名称: | 1,2-ETHANEDIOL, COENZYME A, N-acetyltransferase, ... | | 著者 | Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M. | | 登録日 | 2021-09-08 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum.
Protein Sci., 30, 2021
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7UC7
 | | Stat5a Core in complex with Compound 17 | | 分子名称: | GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1-benzofuran-5-yl)-N,N-dimethyl-beta-alaninamide, Signal transducer and activator of transcription 5A | | 著者 | Meagher, J.L, Stuckey, J.A. | | 登録日 | 2022-03-16 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3.102 Å) | | 主引用文献 | Discovery of a Potent and Selective STAT5 PROTAC Degrader with Strong Antitumor Activity In Vivo in Acute Myeloid Leukemia.
J.Med.Chem., 66, 2023
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6Y29
 | | Crystal structure of HLA-B2709 complexed with the nona-peptide mE | | 分子名称: | Beta-2-microglobulin, GLYCEROL, Lymphocyte antigen HLA-B27, ... | | 著者 | Loll, B, Rueckert, C, Ziegler, B.-U, Ziegler, A. | | 登録日 | 2020-02-15 | | 公開日 | 2020-12-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | A CENTRAL PEPTIDE RESIDUE CAN CONTROL
MHC POLYMORPHISM-DEPENDENT ANTIGEN PRESENTATION
to be published
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5FDU
 | | Crystal structure of the Metalnikowin I antimicrobial peptide bound to the Thermus thermophilus 70S ribosome | | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | 著者 | Seefeldt, A.C, Graf, M, Perebaskine, N, Nguyen, F, Arenz, S, Mardirossian, M, Scocchi, M, Wilson, D.N, Innis, C.A. | | 登録日 | 2015-12-16 | | 公開日 | 2016-01-27 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structure of the mammalian antimicrobial peptide Bac7(1-16) bound within the exit tunnel of a bacterial ribosome.
Nucleic Acids Res., 44, 2016
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8VQ4
 | | CDK2-CyclinE1 in complex with allosteric inhibitor I-125A. | | 分子名称: | (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | 著者 | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | | 登録日 | 2024-01-17 | | 公開日 | 2024-01-31 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
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7NFB
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6Y2N
 | | Crystal structure of ribonucleotide reductase R2 subunit solved by serial synchrotron crystallography | | 分子名称: | FE (III) ION, MANGANESE (III) ION, Ribonucleoside-diphosphate reductase subunit beta | | 著者 | Shilova, A, Lebrette, H, Aurelius, O, Hogbom, M, Mueller, U. | | 登録日 | 2020-02-17 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Current status and future opportunities for serial crystallography at MAX IV Laboratory.
J.Synchrotron Radiat., 27, 2020
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5X7P
 | | Crystal structure of Paenibacillus sp. 598K alpha-1,6-glucosyltransferase complexed with acarbose | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | 著者 | Fujimoto, Z, Kishine, N, Suzuki, N, Momma, M, Ichinose, H, Kimura, A, Funane, K. | | 登録日 | 2017-02-27 | | 公開日 | 2017-07-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Carbohydrate-binding architecture of the multi-modular alpha-1,6-glucosyltransferase from Paenibacillus sp. 598K, which produces alpha-1,6-glucosyl-alpha-glucosaccharides from starch
Biochem. J., 474, 2017
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7AVE
 | | Perdeuterated refolded hen egg-white lysozyme at 100 K | | 分子名称: | ACETATE ION, Lysozyme C, NITRATE ION | | 著者 | Ramos, J, Laux, V, Haertlein, M, Erba Boeri, E, Forsyth, V.T, Larsen, S, Mossou, E, Langkilde, A.E. | | 登録日 | 2020-11-05 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | | 主引用文献 | Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme.
Iucrj, 8, 2021
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7AVF
 | | Triclinic hydrogenated hen egg-white lysozyme at 100 K (control) | | 分子名称: | ACETATE ION, Lysozyme, NITRATE ION | | 著者 | Ramos, J, Laux, V, Haertlein, M, Erba Boeri, E, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E. | | 登録日 | 2020-11-05 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme.
Iucrj, 8, 2021
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5XIO
 | | Crystal Structure of Cryptosporidium parvum Prolyl-tRNA Synthetase (CpPRS) in complex with Halofuginone | | 分子名称: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Proline-tRNA synthetase class II aaRS (Ybak RNA binding domain plus tRNA synthetase), ... | | 著者 | Jain, V, Manickam, Y, Sharma, A. | | 登録日 | 2017-04-26 | | 公開日 | 2018-03-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis
Structure, 25, 2017
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7AVG
 | | Perdeuterated hen egg-white lysozyme at 100 K | | 分子名称: | ACETATE ION, Lysozyme, NITRATE ION | | 著者 | Ramos, J, Laux, V, Haertlein, M, Erba Boeri, E, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E. | | 登録日 | 2020-11-05 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme.
Iucrj, 8, 2021
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6XI7
 | | Crystal Structure of wild-type KRAS (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF (crystal form I) | | 分子名称: | CHLORIDE ION, Isoform 2B of GTPase KRas, MAGNESIUM ION, ... | | 著者 | Chan, A.H, Tran, T.H, Dharmaiah, S, Simanshu, D.K. | | 登録日 | 2020-06-19 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
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8VIS
 | | Human TMPRSS11D complexed with a disulfide-linked autoinhibitory DDDDK peptide | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Fraser, B.J, Dong, A, Ilyassov, O, Kenney, T, Li, Y.Y, Seitova, A, Li, Y, Hejazi, Z, Edwards, A, Benard, F, Arrowsmith, C. | | 登録日 | 2024-01-05 | | 公開日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Human TMPRSS11D complexed with a disulfide-linked autoinhibitory DDDDK peptide
To Be Published
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6FIJ
 | | Structure of the loading/condensing region (SAT-KS-MAT) of the cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1 | | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, ... | | 著者 | Herbst, D.A, Jakob, R.P, Townsend, C.A, Maier, T. | | 登録日 | 2018-01-18 | | 公開日 | 2018-03-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | | 主引用文献 | The structural organization of substrate loading in iterative polyketide synthases.
Nat. Chem. Biol., 14, 2018
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4YMJ
 | | (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | | 分子名称: | 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile, CHLORIDE ION, GLYCEROL, ... | | 著者 | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | | 登録日 | 2015-03-06 | | 公開日 | 2015-06-03 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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5JEI
 | | Crystal structure of the GluA2 LBD in complex with FW | | 分子名称: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, ... | | 著者 | Eibl, C, Salazar, H, Chebli, M, Plested, A.J.R. | | 登録日 | 2016-04-18 | | 公開日 | 2017-02-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.229 Å) | | 主引用文献 | Mechanism of partial agonism in AMPA-type glutamate receptors.
Nat Commun, 8, 2017
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5XMV
 | | Plasmodium vivax SHMT bound with PLP-glycine and GS362 | | 分子名称: | (4~{S})-6-azanyl-4-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5- carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. | | 登録日 | 2017-05-16 | | 公開日 | 2017-11-29 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs
Chemistry, 23, 2017
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