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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
Descriptor: CEFOTAXIME, C3' cleaved, open, ...
Authors:Singh, A, Davies, C.
Deposit date:2019-12-18
Release date:2020-04-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: Probable peptidoglycan D,D-transpeptidase PenA
Authors:Singh, A, Davies, C.
Deposit date:2019-12-19
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.93 Å)
Cite: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
Descriptor: 1-ETHYL-PYRROLIDINE-2,5-DIONE, 3C-like proteinase
Authors:Kneller, D.W, Kovalevsky, A, Coates, L.
Deposit date:2020-06-05
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: Ornithine aminotransferase, mitochondrial, PYRIDOXAL-5'-PHOSPHATE
Authors:Butrin, A, Liu, D.
Deposit date:2021-12-20
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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)
Descriptor: CALCIUM ION, Cysteine hydrolase
Authors:Watanabe, N, Hersch, S.J, Dong, T.G, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-12-13
Release date:2020-01-15
Last modified:2020-05-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: (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
Authors: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.
Deposit date:2005-01-18
Release date:2005-02-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.3 Å)
Cite: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
Descriptor: 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID, Ornithine aminotransferase, mitochondrial, ...
Authors:Butrin, A, Wawrzak, Z, Liu, D.
Deposit date:2021-12-20
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Determination of the pH dependence, substrate specificity, and turnovers of alternative substrates for human ornithine aminotransferase.
J.Biol.Chem., 298, 2022
7TA0
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BU of 7ta0 by Molmil
Human Ornithine Aminotransferase (hOAT) soaked with 5-aminovaleric acid
Descriptor: 5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid, Ornithine aminotransferase, mitochondrial, ...
Authors:Butrin, A, Liu, D.
Deposit date:2021-12-20
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.33 Å)
Cite: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
Descriptor: (2~{R})-1-prop-2-enoxy-3-selanyl-propan-2-ol, Carbonic anhydrase 1, ZINC ION
Authors:Angeli, A, Ferraroni, M.
Deposit date:2019-09-22
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Selenols: a new class of carbonic anhydrase inhibitors.
Chem.Commun.(Camb.), 55, 2019
6SZ5
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BU of 6sz5 by Molmil
Human calmodulin bound to a peptide of human NADPH oxidase 5
Descriptor: CALCIUM ION, Calmodulin-2, NADPH oxidase 5
Authors:Millana, E, Mattevi, A.
Deposit date:2019-10-02
Release date:2019-12-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.23 Å)
Cite: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
Descriptor: Bacteriorhodopsin, EICOSANE, RETINAL, ...
Authors:Kovalev, K, Shevchenko, V, Polovinkin, V, Mager, T, Gushchin, I, Melnikov, I, Borshchevskiy, V, Popov, A, Alekseev, A, Gordeliy, V.
Deposit date:2017-11-13
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, GLYCEROL, ...
Authors:Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V.
Deposit date:2019-10-03
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite: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
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, INFLUENZA A PB2 SUBUNIT
Authors:Thierry, E, Pflug, A, Hart, D, Cusack, S.
Deposit date:2015-11-07
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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
Descriptor: SULFATE ION, YTHDC1, ~{N}-methyl-4-(methylamino)pyridine-2-carboxamide
Authors:Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
Deposit date:2020-04-06
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: NUP107 CTD, NUP107 NTD, NUP133, ...
Authors: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.
Deposit date:2021-12-22
Release date:2022-06-22
Last modified:2022-06-29
Method:ELECTRON MICROSCOPY (23 Å)
Cite: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
Descriptor: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
Authors:Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A.
Deposit date:2010-04-21
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.119 Å)
Cite: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
Descriptor: Antiviral helicase SKI2, Antiviral protein SKI8, Superkiller protein 3, ...
Authors:Keidel, A, Koegel, A, Reichelt, P, Kowalinski, E, Schaefer, I.B, Conti, E.
Deposit date:2023-08-25
Release date:2023-11-08
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite: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
Descriptor: Bromodomain adjacent to zinc finger domain protein 2B, ~{N}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
Authors:Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
Deposit date:2018-01-11
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: RsbR protein, RsbS protein
Authors:Miksys, A, Fu, L, Madej, M.G, Ziegler, C.
Deposit date:2020-11-22
Release date:2021-12-01
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:Molecular insights into intra-complex signal transmission during stressosome activation.
Commun Biol, 5, 2022
4QQK
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BU of 4qqk by Molmil
Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae) with GMS
Descriptor: (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, ...
Authors: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)
Deposit date:2014-06-27
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural basis of arginine asymmetrical dimethylation by PRMT6.
Biochem. J., 473, 2016
2WEO
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BU of 2weo by Molmil
Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
Descriptor: 3-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ...
Authors:Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H.
Deposit date:2009-04-01
Release date:2009-11-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
6YNI
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BU of 6yni by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_036
Descriptor: (2~{R},3~{R})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine, SULFATE ION, YTHDC1
Authors:Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
Deposit date:2020-04-13
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6YNL
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BU of 6ynl by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_078
Descriptor: 3-[(2~{R})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{N}-(methylcarbamoyl)propanamide, SULFATE ION, YTHDC1
Authors:Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
Deposit date:2020-04-14
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: CHLORIDE ION, SULFATE ION, YTHDC1, ...
Authors:Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
Deposit date:2020-04-14
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite: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
Descriptor: Antiviral helicase SKI2, Antiviral protein SKI8, RNA (5'-R(P*UP*UP*UP*U)-3'), ...
Authors:Keidel, A, Koegel, A, Reichelt, P, Kowalinski, E, Schaefer, I.B, Conti, E.
Deposit date:2023-08-25
Release date:2023-11-15
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Concerted structural rearrangements enable RNA channeling into the cytoplasmic Ski238-Ski7-exosome assembly.
Mol.Cell, 83, 2023

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數據於2024-07-10公開中

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