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6VBD
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BU of 6vbd by Molmil
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae cephalosporin-resistant strain H041 acylated by ceftriaxone
分子名称: CEFOTAXIME, C3' cleaved, open, ...
著者Singh, A, Davies, C.
登録日2019-12-18
公開日2020-04-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mutations in Neisseria gonorrhoeae penicillin-binding protein 2 associated with extended-spectrum cephalosporin resistance create an energetic barrier against acylation via restriction of protein dynamics
J.Biol.Chem., 2020
6VBL
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BU of 6vbl by Molmil
Crystal structure of the transpeptidase domain of PBP2 from the Neisseria gonorrhoeae cephalosporin decreased susceptibility strain 35/02
分子名称: Probable peptidoglycan D,D-transpeptidase PenA
著者Singh, A, Davies, C.
登録日2019-12-19
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Mutations in Neisseria gonorrhoeae penicillin-binding protein 2 associated with extended-spectrum cephalosporin resistance create an energetic barrier against acylation via restriction of protein dynamics
J.Biol.Chem., 2020
6XB1
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BU of 6xb1 by Molmil
Room temperature X-ray crystallography reveals catalytic cysteine in the SARS-CoV-2 3CL Mpro is highly reactive: Insights for enzyme mechanism and drug design
分子名称: 1-ETHYL-PYRROLIDINE-2,5-DIONE, 3C-like proteinase
著者Kneller, D.W, Kovalevsky, A, Coates, L.
登録日2020-06-05
公開日2020-06-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL M pro : insights into enzyme mechanism and drug design.
Iucrj, 7, 2020
7T9Z
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BU of 7t9z by Molmil
Human Ornithine Aminotransferase (hOAT) crystallized at pH 6.0
分子名称: Ornithine aminotransferase, mitochondrial, PYRIDOXAL-5'-PHOSPHATE
著者Butrin, A, Liu, D.
登録日2021-12-20
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Determination of the pH dependence, substrate specificity, and turnovers of alternative substrates for human ornithine aminotransferase.
J.Biol.Chem., 298, 2022
6V98
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BU of 6v98 by Molmil
Crystal structure of Type VI secretion system effector, TseH (VCA0285)
分子名称: CALCIUM ION, Cysteine hydrolase
著者Watanabe, N, Hersch, S.J, Dong, T.G, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-12-13
公開日2020-01-15
最終更新日2020-05-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Envelope stress responses defend against type six secretion system attacks independently of immunity proteins.
Nat Microbiol, 5, 2020
1YKV
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BU of 1ykv by Molmil
Crystal structure of the Diels-Alder ribozyme complexed with the product of the reaction between N-pentylmaleimide and covalently attached 9-hydroxymethylanthracene
分子名称: (3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL-3A,4,9,9A-TETRAHYDRO-4,9[1',2']-BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)-DIONE, Diels-Alder ribozyme, MAGNESIUM ION
著者Serganov, A, Keiper, S, Malinina, L, Tereshko, V, Skripkin, E, Hobartner, C, Polonskaia, A, Phan, A.T, Wombacher, R, Micura, R, Dauter, Z, Jaschke, A, Patel, D.J.
登録日2005-01-18
公開日2005-02-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural basis for Diels-Alder ribozyme-catalyzed carbon-carbon bond formation.
Nat.Struct.Mol.Biol., 12, 2005
7TA1
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BU of 7ta1 by Molmil
Human Ornithine Aminotransferase (hOAT) soaked with gamma-Aminobutyric acid
分子名称: 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID, Ornithine aminotransferase, mitochondrial, ...
著者Butrin, A, Wawrzak, Z, Liu, D.
登録日2021-12-20
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Determination of the pH dependence, substrate specificity, and turnovers of alternative substrates for human ornithine aminotransferase.
J.Biol.Chem., 298, 2022
6SWM
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BU of 6swm by Molmil
selenol bound carbonic anhydrase I
分子名称: (2~{R})-1-prop-2-enoxy-3-selanyl-propan-2-ol, Carbonic anhydrase 1, ZINC ION
著者Angeli, A, Ferraroni, M.
登録日2019-09-22
公開日2020-10-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Selenols: a new class of carbonic anhydrase inhibitors.
Chem.Commun.(Camb.), 55, 2019
7TA0
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BU of 7ta0 by Molmil
Human Ornithine Aminotransferase (hOAT) soaked with 5-aminovaleric acid
分子名称: 5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid, Ornithine aminotransferase, mitochondrial, ...
著者Butrin, A, Liu, D.
登録日2021-12-20
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Determination of the pH dependence, substrate specificity, and turnovers of alternative substrates for human ornithine aminotransferase.
J.Biol.Chem., 298, 2022
6SZ5
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BU of 6sz5 by Molmil
Human calmodulin bound to a peptide of human NADPH oxidase 5
分子名称: CALCIUM ION, Calmodulin-2, NADPH oxidase 5
著者Millana, E, Mattevi, A.
登録日2019-10-02
公開日2019-12-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献On the mechanism of calcium-dependent activation of NADPH oxidase 5 (NOX5).
Febs J., 287, 2020
6EYU
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BU of 6eyu by Molmil
Crystal structure of the inward H(+) pump xenorhodopsin
分子名称: Bacteriorhodopsin, EICOSANE, RETINAL, ...
著者Kovalev, K, Shevchenko, V, Polovinkin, V, Mager, T, Gushchin, I, Melnikov, I, Borshchevskiy, V, Popov, A, Alekseev, A, Gordeliy, V.
登録日2017-11-13
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Inward H(+) pump xenorhodopsin: Mechanism and alternative optogenetic approach.
Sci Adv, 3, 2017
6T0J
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BU of 6t0j by Molmil
Crystal structure of CYP124 in complex with SQ109
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, GLYCEROL, ...
著者Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V.
登録日2019-10-03
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Hydroxylation of Antitubercular Drug Candidate, SQ109, by Mycobacterial Cytochrome P450.
Int J Mol Sci, 21, 2020
5FMQ
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BU of 5fmq by Molmil
Crystal structure of the mid, cap-binding, mid-link and 627 domains from avian influenza A virus polymerase PB2 subunit bound to M7GTP H32 crystal form
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, INFLUENZA A PB2 SUBUNIT
著者Thierry, E, Pflug, A, Hart, D, Cusack, S.
登録日2015-11-07
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Influenza Polymerase Can Adopt an Alternative Configuration Involving a Radical Repacking of Pb2 Domains.
Mol.Cell, 61, 2016
6YKJ
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BU of 6ykj by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_125
分子名称: SULFATE ION, YTHDC1, ~{N}-methyl-4-(methylamino)pyridine-2-carboxamide
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-04-06
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
7TBJ
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BU of 7tbj by Molmil
Composite structure of the human nuclear pore complex (NPC) symmetric core generated with a 12A cryo-ET map of the purified HeLa cell NPC
分子名称: NUP107 CTD, NUP107 NTD, NUP133, ...
著者Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A.
登録日2021-12-22
公開日2022-06-22
最終更新日2022-06-29
実験手法ELECTRON MICROSCOPY (23 Å)
主引用文献Architecture of the linker-scaffold in the nuclear pore.
Science, 376, 2022
3MNC
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BU of 3mnc by Molmil
Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Second stage of radiation damage
分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
著者Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A.
登録日2010-04-21
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.119 Å)
主引用文献X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
8QCB
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BU of 8qcb by Molmil
CryoEM structure of a S. Cerevisiae Ski2387 complex in the open state
分子名称: Antiviral helicase SKI2, Antiviral protein SKI8, Superkiller protein 3, ...
著者Keidel, A, Koegel, A, Reichelt, P, Kowalinski, E, Schaefer, I.B, Conti, E.
登録日2023-08-25
公開日2023-11-08
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Concerted structural rearrangements enable RNA channeling into the cytoplasmic Ski238-Ski7-exosome assembly.
Mol.Cell, 83, 2023
6FGT
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BU of 6fgt by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 1-methylpyridinone compound 3
分子名称: Bromodomain adjacent to zinc finger domain protein 2B, ~{N}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
著者Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
登録日2018-01-11
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
7B0U
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BU of 7b0u by Molmil
Stressosome complex from Listeria innocua
分子名称: RsbR protein, RsbS protein
著者Miksys, A, Fu, L, Madej, M.G, Ziegler, C.
登録日2020-11-22
公開日2021-12-01
最終更新日2022-07-20
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献Molecular insights into intra-complex signal transmission during stressosome activation.
Commun Biol, 5, 2022
2WEO
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BU of 2weo by Molmil
Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
分子名称: 3-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ...
著者Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H.
登録日2009-04-01
公開日2009-11-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
4QQK
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BU of 4qqk by Molmil
Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae) with GMS
分子名称: (5S)-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}-N~6~-carbamimidoyl-L-lysine, GLYCEROL, Protein arginine N-methyltransferase 6, ...
著者Dong, A, Zeng, H, He, H, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC)
登録日2014-06-27
公開日2014-07-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural basis of arginine asymmetrical dimethylation by PRMT6.
Biochem. J., 473, 2016
6YNI
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BU of 6yni by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_036
分子名称: (2~{R},3~{R})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-04-13
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6YNL
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Crystal structure of YTHDC1 with compound DHU_DC1_078
分子名称: 3-[(2~{R})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{N}-(methylcarbamoyl)propanamide, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-04-14
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6YNP
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BU of 6ynp by Molmil
Crystal structure of YTHDC1 with compound T96C1
分子名称: CHLORIDE ION, SULFATE ION, YTHDC1, ...
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-04-14
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
8QCA
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BU of 8qca by Molmil
CryoEM structure of a S. Cerevisiae Ski2387 complex in the closed state bound to RNA
分子名称: Antiviral helicase SKI2, Antiviral protein SKI8, RNA (5'-R(P*UP*UP*UP*U)-3'), ...
著者Keidel, A, Koegel, A, Reichelt, P, Kowalinski, E, Schaefer, I.B, Conti, E.
登録日2023-08-25
公開日2023-11-15
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Concerted structural rearrangements enable RNA channeling into the cytoplasmic Ski238-Ski7-exosome assembly.
Mol.Cell, 83, 2023

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