6TMQ
 
 | | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | | 分子名称: | DIMETHYL SULFOXIDE, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [2,4-bis(oxidanyl)phenyl]-[(1~{S})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone, ... | | 著者 | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | | 登録日 | 2019-12-05 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.112 Å) | | 主引用文献 | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
Commun Chem, 2020
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1LH7
 | | X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN) | | 分子名称: | LEGHEMOGLOBIN (NITROSOBENZENE), NITROSOBENZENE, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Vainshtein, B.K, Harutyunyan, E.H, Kuranova, I.P, Borisov, V.V, Sosfenov, N.I, Pavlovsky, A.G, Grebenko, A.I, Konareva, N.V. | | 登録日 | 1982-04-23 | | 公開日 | 1983-01-20 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | X-Ray Structural Investigation of Leghemoglobin. Vi. Structure of Acetate-Ferrileghemoglobin at a Resolution of 2.0 Angstroms (Russian)
Kristallografiya, 25, 1980
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6Q0V
 | | Structure of DDB1-DDA1-DCAF15 complex bound to tasisulam and RBM39 | | 分子名称: | DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1, ... | | 著者 | Faust, T, Yoon, H, Nowak, R.P, Donovan, K.A, Li, Z, Cai, Q, Eleuteri, N.A, Zhang, T, Gray, N.S, Fischer, E.S. | | 登録日 | 2019-08-02 | | 公開日 | 2019-11-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural complementarity facilitates E7820-mediated degradation of RBM39 by DCAF15.
Nat.Chem.Biol., 16, 2020
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7TT8
 | | Human LRH-1 LBD bound to agonist 6N-10CA and fragment of Tif2 coactivator | | 分子名称: | 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | 著者 | Cato, M.L, Ortlund, E.A. | | 登録日 | 2022-01-31 | | 公開日 | 2022-05-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Differential Modulation of Nuclear Receptor LRH-1 through Targeting Buried and Surface Regions of the Binding Pocket.
J.Med.Chem., 65, 2022
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6NDK
 | | Structure of ASLSufA6 A37.5 bound to the 70S A site | | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | 著者 | Nguyen, H.T, Hoffer, E.D, Dunham, C.M. | | 登録日 | 2018-12-13 | | 公開日 | 2019-02-27 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (3.64 Å) | | 主引用文献 | Importance of a tRNA anticodon loop modification and a conserved, noncanonical anticodon stem pairing intRNACGGProfor decoding
J. Biol. Chem., 294, 2019
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6HZV
 | | HUMAN JAK3 IN COMPLEX WITH LASW959 PROTEIN IN COMPLEX WITH LIGAND | | 分子名称: | 3-[7-(2-hydroxyethyl)-9-(oxan-4-yl)-8-oxidanylidene-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile, Tyrosine-protein kinase JAK3 | | 著者 | Lozoya, E, Segarra, V, Bach, J, Jestel, A, Lammens, A, Blaesse, M. | | 登録日 | 2018-10-24 | | 公開日 | 2019-10-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Identification of 2-Imidazopyridine and 2-Aminopyridone Purinones as Potent Pan-Janus Kinase (JAK) Inhibitors for the Inhaled Treatment of Respiratory Diseases.
J.Med.Chem., 62, 2019
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6NL2
 | | Apo NIS synthetase DesD variant R306Q | | 分子名称: | CHLORIDE ION, GLYCEROL, desferrioxamine E biosynthesis protein DesD | | 著者 | Hoffmann, K.M. | | 登録日 | 2019-01-07 | | 公開日 | 2020-01-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | A C-terminal Loop Mediates Cooperativity in the NIS Synthetase DesD
To Be Published
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6Q2D
 | | Crystal structure of Methanobrevibacter smithii Dph2 in complex with Methanobrevibacter smithii elongation factor 2 | | 分子名称: | 2-(3-amino-3-carboxypropyl)histidine synthase, Elongation factor 2, IRON/SULFUR CLUSTER | | 著者 | Fenwick, M.K, Dong, M, Lin, H, Ealick, S.E. | | 登録日 | 2019-08-07 | | 公開日 | 2019-10-16 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.45 Å) | | 主引用文献 | The Crystal Structure of Dph2 in Complex with Elongation Factor 2 Reveals the Structural Basis for the First Step of Diphthamide Biosynthesis.
Biochemistry, 58, 2019
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1G5J
 | | COMPLEX OF BCL-XL WITH PEPTIDE FROM BAD | | 分子名称: | APOPTOSIS REGULATOR BCL-X, BAD PROTEIN | | 著者 | Petros, A.M, Nettesheim, D.G, Wang, Y, Olejniczak, E.T, Meadows, R.P, Mack, J, Swift, K, Matayoshi, E.D, Zhang, H, Thompson, C.B, Fesik, S.W. | | 登録日 | 2000-11-01 | | 公開日 | 2001-02-07 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Rationale for Bcl-xL/Bad peptide complex formation from structure, mutagenesis, and biophysical studies.
Protein Sci., 9, 2000
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6Q0T
 | | Structure of a MAPK pathway complex | | 分子名称: | 14-3-3 protein zeta, 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, ... | | 著者 | Park, E, Rawson, S, Jeon, H, Eck, M.J. | | 登録日 | 2019-08-02 | | 公開日 | 2019-10-09 | | 最終更新日 | 2020-04-22 | | 実験手法 | ELECTRON MICROSCOPY (5.7 Å) | | 主引用文献 | Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes.
Nature, 575, 2019
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6NOS
 | | PD-L1 IgV domain V76T with fragment | | 分子名称: | 1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine, Programmed cell death 1 ligand 1 | | 著者 | Zhao, B, Perry, E. | | 登録日 | 2019-01-16 | | 公開日 | 2019-02-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.701 Å) | | 主引用文献 | Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
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7NSH
 | | 39S mammalian mitochondrial large ribosomal subunit with mtRRF (post) and mtEFG2 | | 分子名称: | 16S rRNA, 39S ribosomal protein L48, mitochondrial, ... | | 著者 | Kummer, E, Schubert, K, Ban, N. | | 登録日 | 2021-03-07 | | 公開日 | 2021-05-05 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural basis of translation termination, rescue, and recycling in mammalian mitochondria.
Mol.Cell, 81, 2021
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1LH5
 | | X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN) | | 分子名称: | FLUORIDE ION, LEGHEMOGLOBIN (FLUORO MET), PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Vainshtein, B.K, Harutyunyan, E.H, Kuranova, I.P, Borisov, V.V, Sosfenov, N.I, Pavlovsky, A.G, Grebenko, A.I, Konareva, N.V. | | 登録日 | 1982-04-23 | | 公開日 | 1983-01-20 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | X-Ray Structural Investigation of Leghemoglobin. Vi. Structure of Acetate-Ferrileghemoglobin at a Resolution of 2.0 Angstroms (Russian)
Kristallografiya, 25, 1980
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5EEY
 | | RADIATION DAMAGE TO THE TRAP-RNA COMPLEX: DOSE (DWD) 11.6 MGy | | 分子名称: | (GAGUU)10GAG 53-NUCLEOTIDE RNA, TRYPTOPHAN, Transcription attenuation protein MtrB | | 著者 | Bury, C.S, McGeehan, J.E, Garman, E.F, Shevtsov, M.B. | | 登録日 | 2015-10-23 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | RNA protects a nucleoprotein complex against radiation damage.
Acta Crystallogr D Struct Biol, 72, 2016
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7RQD
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with protein Y, A-site deacylated tRNA analog CACCA, P-site MTI-tripeptidyl-tRNA analog ACCA-ITM, and chloramphenicol at 2.50A resolution | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | 著者 | Syroegin, E.A, Flemmich, L, Klepacki, D, Vazquez-Laslop, N, Micura, R, Polikanov, Y.S. | | 登録日 | 2021-08-06 | | 公開日 | 2022-01-26 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for the context-specific action of the classic peptidyl transferase inhibitor chloramphenicol.
Nat.Struct.Mol.Biol., 29, 2022
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5EEZ
 | | RADIATION DAMAGE TO THE TRAP-RNA COMPLEX: DOSE (DWD) 14.2 MGy | | 分子名称: | (GAGUU)10GAG 53-NUCLEOTIDE RNA, TRYPTOPHAN, Transcription attenuation protein MtrB | | 著者 | Bury, C.S, McGeehan, J.E, Garman, E.F, Shevtsov, M.B. | | 登録日 | 2015-10-23 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | RNA protects a nucleoprotein complex against radiation damage.
Acta Crystallogr D Struct Biol, 72, 2016
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7RQE
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with protein Y, A-site deacylated tRNA analog CACCA, P-site MAI-tripeptidyl-tRNA analog ACCA-IAM, and chloramphenicol at 2.40A resolution | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | 著者 | Syroegin, E.A, Flemmich, L, Klepacki, D, Vazquez-Laslop, N, Micura, R, Polikanov, Y.S. | | 登録日 | 2021-08-06 | | 公開日 | 2022-01-26 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural basis for the context-specific action of the classic peptidyl transferase inhibitor chloramphenicol.
Nat.Struct.Mol.Biol., 29, 2022
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7RQA
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with protein Y, A-site aminoacyl-tRNA analog ACC-PMN, and P-site MTI-tripeptidyl-tRNA analog ACCA-ITM at 2.40A resolution | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, ... | | 著者 | Syroegin, E.A, Flemmich, L, Klepacki, D, Vazquez-Laslop, N, Micura, R, Polikanov, Y.S. | | 登録日 | 2021-08-06 | | 公開日 | 2022-01-26 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural basis for the context-specific action of the classic peptidyl transferase inhibitor chloramphenicol.
Nat.Struct.Mol.Biol., 29, 2022
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8F2P
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6T8X
 | | Crystal structure of MAPKAPK2 (MK2) complexed with PF-3644022 and 5-(4-bromophenyl)-N-[4-(1-piperazinyl)phenyl]-N-(2-pyridinylmethyl)-2-furancarboxamide | | 分子名称: | (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one, 5-(4-bromophenyl)-~{N}-(4-piperazin-1-ylphenyl)-~{N}-(pyridin-2-ylmethyl)furan-2-carboxamide, CHLORIDE ION, ... | | 著者 | Beaumont, E.J, Barker, J. | | 登録日 | 2019-10-25 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Crystal structure of MAPKAPK2 (MK2) complexed with PF-3644022 and 5-(4-bromophenyl)-N-[4-(1-piperazinyl)phenyl]-N-(2-pyridinylmethyl)-2-furancarboxamide
To Be Published
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6IA5
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7UUN
 | | Crystal structure of aminoglycoside resistance enzyme ApmA, complex with neomycin | | 分子名称: | 1,2-ETHANEDIOL, Aminocyclitol acetyltransferase ApmA, NEOMYCIN | | 著者 | Stogios, P.J, Evdokimova, E, Di Leo, R, Osipiuk, J, Bordeleau, E, Wright, G.D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | | 登録日 | 2022-04-28 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | | 主引用文献 | Mechanistic plasticity in ApmA enables aminoglycoside promiscuity for resistance.
Nat.Chem.Biol., 20, 2024
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6FHJ
 | | Structural dynamics and catalytic properties of a multi-modular xanthanase, native. | | 分子名称: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Moroz, O.V, Jensen, P.F, McDonald, S.P, McGregor, N, Blagova, E, Comamala, G, Segura, D.R, Anderson, L, Vasu, S.M, Rao, V.P, Giger, L, Monrad, R.N, Svendsen, A, Nielsen, J.E, Henrissat, B, Davies, G.J, Brumer, H, Rand, K, Wilson, K.S. | | 登録日 | 2018-01-14 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Structural Dynamics and Catalytic Properties of a Multimodular Xanthanase
Acs Catalysis, 2018
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8F94
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7UWF
 | | Human Rix1 sub-complex scaffold | | 分子名称: | Modulator of non-genomic activity of estrogen receptor, WD repeat-containing protein 18 | | 著者 | Gordon, J, Stanley, R.E. | | 登録日 | 2022-05-03 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Cryo-EM reveals the architecture of the PELP1-WDR18 molecular scaffold.
Nat Commun, 13, 2022
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