8A3N
 
 | | Geissoschizine synthase from Catharanthus roseus - binary complex with NADP+ | | 分子名称: | Geissoschizine synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION | | 著者 | Langley, C, Tatsis, E, Hong, B, Nakamura, Y, Kamileen, M.O, Paetz, C, Stevenson, C.E.M, Basquin, J, Lawson, D.M, Caputi, L, O'Connor, S.E. | | 登録日 | 2022-06-08 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism.
Angew.Chem.Int.Ed.Engl., 61, 2022
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8A3K
 | | X-ray crystal structure of a de novo designed single-chain antiparallel 4-helix coiled-coil bundle, sc-apCC-4 | | 分子名称: | sc-apCC-4 | | 著者 | Albanese, K.I, Mylemans, B, Naudin, E.A, Woolfson, D.N. | | 登録日 | 2022-06-08 | | 公開日 | 2022-10-05 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | From peptides to proteins: coiled-coil tetramers to single-chain 4-helix bundles.
Chem Sci, 13, 2022
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8A3H
 | | Cellobiose-derived imidazole complex of the endoglucanase cel5A from Bacillus agaradhaerens at 0.97 A resolution | | 分子名称: | (5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside, ACETATE ION, GLYCEROL, ... | | 著者 | Varrot, A, Schulein, M, Pipelier, M, Vasella, A, Davies, G.J. | | 登録日 | 1999-01-20 | | 公開日 | 2000-01-21 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (0.97 Å) | | 主引用文献 | Lateral Protonation of a Glycosidase Inhibitor. Structure of the Bacillus agaradhaerens Cel5A in Complex with a Cellobiose-Derived Imidazole at 0.97 A Resolution
J.Am.Chem.Soc., 121, 1999
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8A3F
 | | Proline Racemase (ProR) from the Gram-positive bacterium Acetoanaerobium sticklandii from isotropic tetragonal data at 3.15 A | | 分子名称: | PYRROLE-2-CARBOXYLATE, Proline racemase A (AsProR) | | 著者 | Najmudin, S, Pan, X.-S, McAuley, K.E, Fisher, L.M, Sanderson, M.R. | | 登録日 | 2022-06-08 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | Structural and Functional analysis of the Proline Racemase (ProR) from the Gram-positive bacterium Acetoanaerobium sticklandii
To Be Published
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8A3B
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8A39
 | | Crystal Structure of PaaX from Escherichia coli W | | 分子名称: | DNA-binding transcriptional repressor of phenylacetic acid degradation, aryl-CoA responsive, GLYCEROL, ... | | 著者 | Molina, R, Alba-Perez, A, Hermoso, J.A. | | 登録日 | 2022-06-07 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural characterization of PaaX, the main repressor of the phenylacetate degradation pathway in Escherichia coli W: A novel fold of transcription regulator proteins.
Int.J.Biol.Macromol., 254, 2024
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8A35
 | | NaK C-DI mutant with Rb+ and Na+ | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein, RUBIDIUM ION, ... | | 著者 | Minniberger, S, Plested, A.J.R. | | 登録日 | 2022-06-07 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
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8A32
 | | p53 cancer mutant Y220C in complex with iodophenol-based small-molecule stabilizer JC769 | | 分子名称: | 1,2-ETHANEDIOL, 4-[3,4-bis(fluoranyl)pyrrol-1-yl]-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid, Cellular tumor antigen p53, ... | | 著者 | Balourdas, D.I, Stephenson Clarke, J.R, Baud, M.G.J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | 登録日 | 2022-06-06 | | 公開日 | 2022-11-30 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Discovery of Nanomolar-Affinity Pharmacological Chaperones Stabilizing the Oncogenic p53 Mutant Y220C.
Acs Pharmacol Transl Sci, 5, 2022
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8A31
 | | p53 cancer mutant Y220C in complex with iodophenol-based small-molecule stabilizer JC694 | | 分子名称: | 4-(3-fluoranylpyrrol-1-yl)-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ... | | 著者 | Balourdas, D.I, Stephenson Clarke, J.R, Baud, M.G.J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | 登録日 | 2022-06-06 | | 公開日 | 2022-11-30 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Discovery of Nanomolar-Affinity Pharmacological Chaperones Stabilizing the Oncogenic p53 Mutant Y220C.
Acs Pharmacol Transl Sci, 5, 2022
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8A2E
 | | Crystal Structure of Human Parechovirus 3 2A protein | | 分子名称: | 2A protein, GLYCEROL, SULFATE ION | | 著者 | von Castelmur, E, Zhu, L, wang, X, Fry, E, Ren, J, Perrakis, A, Stuart, D.I. | | 登録日 | 2022-06-03 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Structural plasticity of 2A proteins in the Parechovirus family.
To Be Published
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8A2D
 | | EGFR kinase domain (L858R/V948R) in complex with 2-[4-(difluoromethyl)-6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-7-methyl-indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-thiazol-2-yl-acetamide | | 分子名称: | (2R)-2-[4-[bis(fluoranyl)methyl]-6-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-7-methyl-indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)ethanamide, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | 著者 | Kuglstatter, A, Ehler, A. | | 登録日 | 2022-06-03 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | | 主引用文献 | Discovery of Novel Allosteric EGFR L858R Inhibitors for the Treatment of Non-Small-Cell Lung Cancer as a Single Agent or in Combination with Osimertinib.
J.Med.Chem., 65, 2022
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8A2C
 | | The crystal structure of the S178A mutant of PET40, a PETase enzyme from an unclassified Amycolatopsis | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | 著者 | Costanzi, E, Applegate, V, Port, A, Smits, S.H.J. | | 登録日 | 2022-06-03 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | The metagenome-derived esterase PET40 is highly promiscuous and hydrolyses polyethylene terephthalate (PET).
Febs J., 291, 2024
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8A29
 | | Apo 1-deoxy-D-xylulose 5-phosphate synthase from Pseudomonas aeruginosa | | 分子名称: | 1-deoxy-D-xylulose-5-phosphate synthase, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Hamid, R, Adam, S, Lacour, A, Monjas, L, Hirsch, A. | | 登録日 | 2022-06-02 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | 1-deoxy-D-xylulose-5-phosphate synthase from Pseudomonas aeruginosa and Klebsiella pneumoniae reveals conformational changes upon cofactor binding.
J.Biol.Chem., 299, 2023
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8A28
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8A26
 | | Lysophospholipase PlaA from Legionella pneumophila str. Corby - complex with palmitate | | 分子名称: | (R,R)-2,3-BUTANEDIOL, Lysophospholipase A, MALONIC ACID, ... | | 著者 | Diwo, M.G, Blankenfeldt, W. | | 登録日 | 2022-06-02 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Structure-function relationships underpin disulfide loop cleavage-dependent activation of Legionella pneumophila lysophospholipase A PlaA.
Mol.Microbiol., 121, 2024
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8A25
 | | Lysophospholipase PlaA from Legionella pneumophila str. Corby - complex with PEG fragment | | 分子名称: | (R,R)-2,3-BUTANEDIOL, IODIDE ION, Lysophospholipase A, ... | | 著者 | Diwo, M.G, Blankenfeldt, W. | | 登録日 | 2022-06-02 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Structure-function relationships underpin disulfide loop cleavage-dependent activation of Legionella pneumophila lysophospholipase A PlaA.
Mol.Microbiol., 121, 2024
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8A23
 | | Crystal structure of SARS-CoV-2 nsp10/nsp16 methyltransferase in complex with TO383 | | 分子名称: | (2R,3R,4S,5R)-2-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol, 2'-O-methyltransferase nsp16, GLYCEROL, ... | | 著者 | Hanigovsky, M, Krafcikova, P, Klima, M, Boura, E. | | 登録日 | 2022-06-02 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal structure of SARS-CoV-2 nsp10/nsp16 methyltransferase in
complex with TO383
To Be Published
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8A22
 | | Structure of the mitochondrial ribosome from Polytomella magna | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, POTASSIUM ION, ... | | 著者 | Tobiasson, V, Berzina, I, Amunts, A. | | 登録日 | 2022-06-02 | | 公開日 | 2022-11-16 | | 最終更新日 | 2022-11-23 | | 実験手法 | ELECTRON MICROSCOPY (2.91 Å) | | 主引用文献 | Structure of a mitochondrial ribosome with fragmented rRNA in complex with membrane-targeting elements.
Nat Commun, 13, 2022
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8A21
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8A1Q
 | | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor STP0404 (Pirmitegravir) | | 分子名称: | (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, 1,2-ETHANEDIOL, Integrase, ... | | 著者 | Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P. | | 登録日 | 2022-06-01 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | The Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function.
Mbio, 14, 2023
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8A1P
 | | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor BI-D | | 分子名称: | (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P. | | 登録日 | 2022-06-01 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function.
Mbio, 14, 2023
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8A1O
 | | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with acrylamide analogue 8 | | 分子名称: | (E)-3-chloranyl-3-[(2-chlorophenyl)methylsulfonyl]-N-(5-methoxypyridin-2-yl)prop-2-enamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | | 登録日 | 2022-06-01 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors.
Chem Sci, 14, 2023
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8A1N
 | | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with fumaryl amide analogue 13 | | 分子名称: | (Z)-N-(4-chlorophenyl)-4-oxidanylidene-but-2-enamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | 著者 | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | | 登録日 | 2022-06-01 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors.
Chem Sci, 14, 2023
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8A1M
 | | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with maleimide analogue 4 | | 分子名称: | 1,2-ETHANEDIOL, 1-(2-fluoranyl-5-methylsulfonyl-phenyl)pyrrolidine-2,5-dione, CHLORIDE ION, ... | | 著者 | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | | 登録日 | 2022-06-01 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors.
Chem Sci, 14, 2023
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8A1L
 | | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with alpha-chloro ketone 2 | | 分子名称: | (phenylmethyl) N-[(3S,4S)-4-methyl-2-oxidanylidene-hexan-3-yl]carbamate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | | 登録日 | 2022-06-01 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors.
Chem Sci, 14, 2023
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