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8GXF
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BU of 8gxf by Molmil
Pseudomonas flexibilis GCN5 family acetyltransferase
分子名称: COENZYME A, GCN5 family acetyltransferase
著者Song, Y.J, Bao, R.
登録日2022-09-20
公開日2022-10-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献The novel type II toxin-antitoxin PacTA modulates Pseudomonas aeruginosa iron homeostasis by obstructing the DNA-binding activity of Fur.
Nucleic Acids Res., 50, 2022
8GXJ
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BU of 8gxj by Molmil
Pseudomonas aeruginosa N-acetyltransferase domain-containing protein PA3270
分子名称: N-acetyltransferase domain-containing protein
著者Song, Y.J, Bao, R.
登録日2022-09-20
公開日2022-10-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献The novel type II toxin-antitoxin PacTA modulates Pseudomonas aeruginosa iron homeostasis by obstructing the DNA-binding activity of Fur.
Nucleic Acids Res., 50, 2022
8GXK
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BU of 8gxk by Molmil
Pseudomonas jinjuensis N-acetyltransferase
分子名称: COENZYME A, Protein N-acetyltransferase, RimJ/RimL family
著者Song, Y.J, Bao, R.
登録日2022-09-20
公開日2022-10-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献The novel type II toxin-antitoxin PacTA modulates Pseudomonas aeruginosa iron homeostasis by obstructing the DNA-binding activity of Fur.
Nucleic Acids Res., 50, 2022
7P9J
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BU of 7p9j by Molmil
Prim-Pol Domain of CRISPR-associated Prim-Pol (CAPP) from Marinitoga sp. 1137 - Primer Initiation Complex
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, COBALT (II) ION, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Li, A.W.H, Doherty, A.J.
登録日2021-07-27
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis for the initiation of DNA primer synthesis.
Nature, 605, 2022
8UK5
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Crystal structure of the bromodomain of human ATAD2B in complex with histone H4S1(ph)K5ac
分子名称: ATPase family AAA domain-containing protein 2B, Histone H4S1(ph)K5ac
著者Montgomery, C, Phillips, M, Nix, J.C, Glass, K.C.
登録日2023-10-12
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Impact of Combinatorial Histone Modifications on Acetyllysine Recognition by the ATAD2 and ATAD2B Bromodomains.
J.Med.Chem., 67, 2024
8UHL
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ATAD2B bromodomain in complex with histone H4 acetylated at lysine 12
分子名称: ATPase family AAA domain-containing protein 2B, Histone H4
著者Phillips, M, Montgomery, C, Nix, J.C, Glass, K.C.
登録日2023-10-09
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Impact of Combinatorial Histone Modifications on Acetyllysine Recognition by the ATAD2 and ATAD2B Bromodomains.
J.Med.Chem., 67, 2024
6ZHH
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BU of 6zhh by Molmil
Ca2+-ATPase from Listeria Monocytogenes with G4 insertion.
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BERYLLIUM TRIFLUORIDE ION, Calcium-transporting ATPase, ...
著者Basse Hansen, S, Dyla, M, Neumann, C, Quistgaard, E.M.H, Lauwring Andersen, J, Kjaergaard, M, Nissen, P.
登録日2020-06-23
公開日2021-05-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Crystal Structure of the Ca 2+ -ATPase 1 from Listeria monocytogenes reveals a Pump Primed for Dephosphorylation.
J.Mol.Biol., 433, 2021
6ZHF
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Calcium ATPase-1 from Listeria monocytogenes in complex with BeF
分子名称: BERYLLIUM TRIFLUORIDE ION, Calcium-transporting ATPase, MAGNESIUM ION
著者Basse Hansen, S, Dyla, M, Neumann, C, Quistgaard, E.M.H, Lauwring Andersen, J, Kjaergaard, M, Nissen, P.
登録日2020-06-23
公開日2021-05-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献The Crystal Structure of the Ca 2+ -ATPase 1 from Listeria monocytogenes reveals a Pump Primed for Dephosphorylation.
J.Mol.Biol., 433, 2021
6ZHG
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BU of 6zhg by Molmil
Ca2+-ATPase from Listeria Monocytogenes in complex with AlF
分子名称: Calcium-transporting ATPase, MAGNESIUM ION, TETRAFLUOROALUMINATE ION
著者Basse Hansen, S, Dyla, M, Neumann, C, Quistgaard, E.M.H, Lauwring Andersen, J, Kjaergaard, M, Nissen, P.
登録日2020-06-23
公開日2021-05-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献The Crystal Structure of the Ca 2+ -ATPase 1 from Listeria monocytogenes reveals a Pump Primed for Dephosphorylation.
J.Mol.Biol., 433, 2021
5FDP
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BU of 5fdp by Molmil
Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 Angstroms resolution.
分子名称: (4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
著者Bartual, S.G, Pinkas, D.M, Wang, Z, Ding, K, Mahajan, P, Kupinska, K, Mukhopadhyay, S, Strain-Damerell, C, Borkowska, O, Talon, R, Kopec, J, Williams, E, Tallant, C, Chaikuad, A, Sorell, F, Newman, J, Burgess-Brown, N, Arrowsmith, C.H, von Delft, F, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2015-12-16
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-Based Design of Tetrahydroisoquinoline-7-carboxamides as Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors.
J.Med.Chem., 59, 2016
6VQL
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BU of 6vql by Molmil
CRYSTAL STRUCTURE OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 (IRAK4-WT) COMPLEX WITH A NICOTINAMIDE INHIBITOR
分子名称: 6-[(1,3-benzothiazol-6-yl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION
著者Sack, J.S.
登録日2020-02-05
公開日2020-06-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.069 Å)
主引用文献Optimization of Nicotinamides as Potent and Selective IRAK4 Inhibitors with Efficacy in a Murine Model of Psoriasis.
Acs Med.Chem.Lett., 11, 2020
6NAQ
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BU of 6naq by Molmil
Crystal structure of Neisseria meningitidis ClpP protease in Apo form
分子名称: ATP-dependent Clp protease proteolytic subunit, POTASSIUM ION
著者Houry, W.A, Mabanglo, M.F, Pai, E.F, Eger, B.T, Bryson, S.
登録日2018-12-06
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.022 Å)
主引用文献ClpP protease activation results from the reorganization of the electrostatic interaction networks at the entrance pores.
Commun Biol, 2, 2019
5TL9
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BU of 5tl9 by Molmil
crystal structure of mPGES-1 bound to inhibitor
分子名称: 2-{2-[(1S,2S)-2-{[1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}cyclopentyl]ethyl}benzoic acid, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ...
著者Luz, J.G, Antonysamy, S, Partridge, K, Fisher, M.
登録日2016-10-10
公開日2017-03-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Discovery and characterization of [(cyclopentyl)ethyl]benzoic acid inhibitors of microsomal prostaglandin E synthase-1.
Bioorg. Med. Chem. Lett., 27, 2017
5KWA
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BU of 5kwa by Molmil
complete structure of the Mycobacterium tuberculosis proteasomal ATPase Mpa
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Proteasome-associated ATPase
著者Wang, T, WU, Y.J.
登録日2016-07-17
公開日2017-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Mycobacterium tuberculosis proteasomal ATPase Mpa has a beta-grasp domain that hinders docking with the proteasome core protease
Mol. Microbiol., 105, 2017
6NMF
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BU of 6nmf by Molmil
SFX structure of reduced cytochrome c oxidase at room temperature
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Rousseau, D.L, Yeh, S.-R, Ishigami, I.
登録日2019-01-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Snapshot of an oxygen intermediate in the catalytic reaction of cytochromecoxidase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
7M6F
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BU of 7m6f by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with the human neutralizing antibody Fab fragment, BG1-22
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG1-22 Fab Heavy Chain, ...
著者Barnes, C.O, Bjorkman, P.J.
登録日2021-03-25
公開日2021-05-05
最終更新日2021-06-23
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献B cell genomics behind cross-neutralization of SARS-CoV-2 variants and SARS-CoV.
Cell, 184, 2021
7M6G
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BU of 7m6g by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with the human neutralizing antibody Fab fragment, BG7-15
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG7-15 Fab Heavy Chain, ...
著者Barnes, C.O, Bjorkman, P.J.
登録日2021-03-25
公開日2021-05-05
最終更新日2021-06-23
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献B cell genomics behind cross-neutralization of SARS-CoV-2 variants and SARS-CoV.
Cell, 184, 2021
7M6I
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BU of 7m6i by Molmil
Structure of the SARS-CoV-2 S 2P trimer in complex with the human neutralizing antibody Fab fragment, BG1-24
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG1-24 Fab Heavy Chain, ...
著者Barnes, C.O, Bjorkman, P.J.
登録日2021-03-25
公開日2021-05-05
最終更新日2021-06-23
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献B cell genomics behind cross-neutralization of SARS-CoV-2 variants and SARS-CoV.
Cell, 184, 2021
7M6E
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Structure of the SARS-CoV-2 S 6P trimer in complex with the human neutralizing antibody Fab fragment, BG10-19
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BG10-19 Fab Heavy Chain, ...
著者Barnes, C.O, Bjorkman, P.J.
登録日2021-03-25
公開日2021-05-05
最終更新日2021-06-23
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献B cell genomics behind cross-neutralization of SARS-CoV-2 variants and SARS-CoV.
Cell, 184, 2021
7M6H
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BU of 7m6h by Molmil
Structure of the SARS-CoV-2 S 2P trimer in complex with the human neutralizing antibody Fab fragment, BG7-20
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BG7-20 Fab Heavy Chain, BG7-20 Fab Light Chain, ...
著者Barnes, C.O, Bjorkman, P.J.
登録日2021-03-25
公開日2021-05-05
最終更新日2021-06-23
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献B cell genomics behind cross-neutralization of SARS-CoV-2 variants and SARS-CoV.
Cell, 184, 2021
7M6D
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BU of 7m6d by Molmil
Structure of the SARS-CoV-2 RBD in complex with neutralizing antibodies BG4-25 and CR3022
分子名称: BG4-25 Fab Heavy Chain, BG4-25 Fab Light Chain, CR3022 Fab Heavy Chain, ...
著者Barnes, C.O, Bjorkman, P.J.
登録日2021-03-25
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献B cell genomics behind cross-neutralization of SARS-CoV-2 variants and SARS-CoV.
Cell, 184, 2021
7K9Z
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BU of 7k9z by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with the Fab fragments of neutralizing antibodies 298 and 52
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 298 Fab Heavy Chain, 298 Fab Light Chain, ...
著者Newton, J.C, Kucharska, I, Rujas, E, Cui, H, Julien, J.P.
登録日2020-09-29
公開日2020-10-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Multivalency transforms SARS-CoV-2 antibodies into ultrapotent neutralizers.
Nat Commun, 12, 2021
5B35
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BU of 5b35 by Molmil
Serial Femtosecond Crystallography (SFX) of Ground State Bacteriorhodopsin Crystallized from Bicelles Determined Using 7-keV X-ray Free Electron Laser (XFEL) at SACLA
分子名称: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol, Bacteriorhodopsin, DECANE, ...
著者Mizohata, E, Nakane, T, Suzuki, M.
登録日2016-02-10
公開日2016-11-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Membrane protein structure determination by SAD, SIR, or SIRAS phasing in serial femtosecond crystallography using an iododetergent
Proc.Natl.Acad.Sci.USA, 113, 2016
3CT2
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BU of 3ct2 by Molmil
Crystal structure of muconate cycloisomerase from Pseudomonas fluorescens
分子名称: MAGNESIUM ION, Muconate cycloisomerase
著者Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-04-11
公開日2008-04-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes.
Biochemistry, 48, 2009
5HU9
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BU of 5hu9 by Molmil
Crystal structure of ABL1 in complex with CHMFL-074
分子名称: 1,2-ETHANEDIOL, 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide, CHLORIDE ION, ...
著者Kong, L.L, Yun, C.H.
登録日2016-01-27
公開日2016-07-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.529 Å)
主引用文献Discovery and characterization of a novel potent type II native and mutant BCR-ABL inhibitor (CHMFL-074) for Chronic Myeloid Leukemia (CML)
Oncotarget, 7, 2016

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