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6B6C
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BU of 6b6c by Molmil
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 30ms
分子名称: Beta-lactamase, Ceftriaxone
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6A
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BU of 6b6a by Molmil
Beta-Lactamase, 2secs timepoint, mixed, shards crystal form
分子名称: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone, ...
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2020-01-15
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6E
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BU of 6b6e by Molmil
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 500ms
分子名称: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B68
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BU of 6b68 by Molmil
Beta-Lactamase, 100ms timepoint, mixed, shards crystal form
分子名称: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone, ...
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B5X
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BU of 6b5x by Molmil
Beta-Lactamase, unmixed shards crystal form
分子名称: Beta-lactamase, PHOSPHATE ION
著者Pandey, S.
登録日2017-09-29
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6F
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BU of 6b6f by Molmil
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 2sec
分子名称: Beta-lactamase, Ceftriaxone
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6VY1
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BU of 6vy1 by Molmil
Cryo-EM structure of filamentous PFD from Methanocaldococcus jannaschii
分子名称: Prefoldin subunit alpha 2
著者Wang, F, Chen, Y.X, Ing, N.L, Hochbaum, A.I, Clark, D.S, Glover, D.J, Egelman, E.H.
登録日2020-02-25
公開日2020-05-13
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献Structural Determination of a Filamentous Chaperone to Fabricate Electronically Conductive Metalloprotein Nanowires.
Acs Nano, 14, 2020
7CMW
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BU of 7cmw by Molmil
Complex structure of PARP1 catalytic domain with pamiparib
分子名称: (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one, GLYCEROL, Poly [ADP-ribose] polymerase 1
著者Feng, Y.C, Peng, H, Hong, Y, Liu, Y.
登録日2020-07-29
公開日2020-12-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of Pamiparib (BGB-290), a Potent and Selective Poly (ADP-ribose) Polymerase (PARP) Inhibitor in Clinical Development.
J.Med.Chem., 63, 2020
1XN6
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BU of 1xn6 by Molmil
Solution Structure of Northeast Structural Genomics Target Protein BcR68 encoded in gene Q816V6 of B. cereus
分子名称: hypothetical protein BC4709
著者Liu, G, Acton, T, Parish, D, Ma, L, Xu, D, Xiao, R, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2004-10-04
公開日2004-12-14
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR data collection and analysis protocol for high-throughput protein structure determination.
Proc.Natl.Acad.Sci.Usa, 102, 2005
7PT0
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BU of 7pt0 by Molmil
SCO3201 with putative ligand
分子名称: SPERMIDINE, TetR family transcriptional regulator
著者Werten, S, Palm, G.J, Hinrichs, W.
登録日2021-09-25
公開日2021-10-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structures of free and ligand-bound forms of the TetR/AcrR-like regulator SCO3201 from Streptomyces coelicolor suggest a novel allosteric mechanism.
Febs J., 290, 2023
6NII
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BU of 6nii by Molmil
Crystal structure of RavD (residues 1-200) from Legionella pneumophila (strain Corby)
分子名称: Uncharacterized protein RavD
著者Wang, X, Zhou, Y, Zhu, Y.
登録日2018-12-28
公開日2019-05-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A bacterial effector deubiquitinase specifically hydrolyses linear ubiquitin chains to inhibit host inflammatory signalling.
Nat Microbiol, 4, 2019
6NJD
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BU of 6njd by Molmil
Crystal structure of RavD (residues 1-200) from Legionella pneumophila (strain Corby) complexed with Met-1 linked di-ubiquitin
分子名称: Di-ubiquitin, MAGNESIUM ION, RavD
著者Wang, X, Zhou, Y, Zhu, Y.
登録日2019-01-03
公開日2019-05-22
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A bacterial effector deubiquitinase specifically hydrolyses linear ubiquitin chains to inhibit host inflammatory signalling.
Nat Microbiol, 4, 2019
6N9P
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BU of 6n9p by Molmil
Discovery of affinity-based probes for Btk occupancy assay
分子名称: N-(3-{[2-amino-3-(4-phenoxyphenyl)pyridin-4-yl]oxy}phenyl)propanamide, Tyrosine-protein kinase BTK
著者Mochalkin, I.
登録日2018-12-03
公開日2019-02-06
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Discovery of Affinity-Based Probes for Btk Occupancy Assays.
ChemMedChem, 14, 2019
7V4Y
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BU of 7v4y by Molmil
TTHA1264/TTHA1265 complex
分子名称: Putative zinc protease, ZINC ION, Zinc-dependent peptidase
著者Xu, M, Xu, Q, Ran, T, Wang, W, Sun, B, Wang, Q.
登録日2021-08-16
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of TTHA1265 and TTHA1264/TTHA1265 complex reveal an intrinsic heterodimeric assembly.
Int.J.Biol.Macromol., 207, 2022
2JS4
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BU of 2js4 by Molmil
Solution NMR Structure of Bordetella bronchiseptica protein BB2007. Northeast Structural Genomics Consortium target BoR54
分子名称: UPF0434 protein BB2007
著者Eletsky, A, Sukumaran, D, Wu, Y, Singarapu, K, Parish, D, Xu, D, Wang, D, Nwosu, C, Cunningham, K, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2007-06-29
公開日2007-07-10
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献NMR Solution Structure of Bordetella bronchiseptica protein BB2007.
To be Published
3D7Q
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BU of 3d7q by Molmil
Crystal structure of a xisi-like protein (npun_ar114) from nostoc punctiforme pcc 73102 at 2.30 A resolution
分子名称: XisI protein-like
著者Joint Center for Structural Genomics (JCSG)
登録日2008-05-21
公開日2008-06-17
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Site-specific recombination of nitrogen-fixation genes in cyanobacteria by XisF-XisH-XisI complex: Structures and models.
Proteins, 2014
7JLT
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BU of 7jlt by Molmil
Crystal Structure of SARS-CoV-2 NSP7-NSP8 complex.
分子名称: Non-structural protein 7, Non-structural protein 8
著者Biswal, M, Hai, R, Song, J.
登録日2020-07-30
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Two conserved oligomer interfaces of NSP7 and NSP8 underpin the dynamic assembly of SARS-CoV-2 RdRP.
Nucleic Acids Res., 49, 2021
4FZ7
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BU of 4fz7 by Molmil
Crystal structure of spleen tyrosine kinase complexed with 6-((1R,2S)-2-Amino-cyclohexylamino)-4-(6-ethyl-pyridin-2-ylamino)-pyridazine-3-carboxylic acid amide
分子名称: 6-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(6-ethylpyridin-2-yl)amino]pyridazine-3-carboxamide, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Slade, M.
登録日2012-07-06
公開日2013-07-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Using ovality to predict nonmutagenic, orally efficacious pyridazine amides as cell specific spleen tyrosine kinase inhibitors.
J. Med. Chem., 57, 2014
4G6H
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BU of 4g6h by Molmil
Crystal structure of NDH with NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
著者Li, W, Feng, Y, Ge, J, Yang, M.
登録日2012-07-19
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.262 Å)
主引用文献Structural insight into the type-II mitochondrial NADH dehydrogenases.
Nature, 491, 2012
4G6G
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BU of 4g6g by Molmil
Crystal structure of NDH with TRT
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, FRAGMENT OF TRITON X-100, MAGNESIUM ION, ...
著者Li, W, Feng, Y, Ge, J, Yang, M.
登録日2012-07-19
公開日2012-10-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structural insight into the type-II mitochondrial NADH dehydrogenases.
Nature, 491, 2012
4G74
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BU of 4g74 by Molmil
Crystal structure of NDH with Quinone
分子名称: 2,3-DIMETHOXY-5-METHYL-6-(3,11,15,19-TETRAMETHYL-EICOSA-2,6,10,14,18-PENTAENYL)-[1,4]BENZOQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, FRAGMENT OF TRITON X-100, ...
著者Li, W, Feng, Y, Ge, J, Yang, M.
登録日2012-07-19
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structural insight into the type-II mitochondrial NADH dehydrogenases.
Nature, 491, 2012
4G73
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BU of 4g73 by Molmil
Crystal structure of NDH with NADH and Quinone
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2,3-DIMETHOXY-5-METHYL-6-(3,11,15,19-TETRAMETHYL-EICOSA-2,6,10,14,18-PENTAENYL)-[1,4]BENZOQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Li, W, Feng, Y, Ge, J, Yang, M.
登録日2012-07-19
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.522 Å)
主引用文献Structural insight into the type-II mitochondrial NADH dehydrogenases.
Nature, 491, 2012
4GFG
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BU of 4gfg by Molmil
Crystal structure of spleen tyrosine kinase complexed with r9021
分子名称: 6-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(5,6-dimethylpyridin-2-yl)amino]pyridazine-3-carboxamide, Tyrosine-protein kinase SYK
著者Lukacs, C, Slade, M.
登録日2012-08-03
公開日2013-08-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A specific SYK inhibitor blocks B Cell Receptor, Fc Receptor, and Toll-like Receptor 9 pathways for the treatment of inflammatory diseases.
To be Published
2INB
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BU of 2inb by Molmil
Crystal structure of an XisH family protein (ZP_00107633.1) from Nostoc punctiforme PCC 73102 at 1.60 A resolution
分子名称: CHLORIDE ION, GLYCEROL, hypothetical protein
著者Joint Center for Structural Genomics (JCSG)
登録日2006-10-06
公開日2006-10-24
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Site-specific recombination of nitrogen-fixation genes in cyanobacteria by XisF-XisH-XisI complex: Structures and models.
Proteins, 2014
4I0S
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BU of 4i0s by Molmil
Crystal structure of spleen tyrosine kinase complexed with 2-(6-Chloro-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
分子名称: 2-(6-chloro-1-methyl-1H-indazol-3-yl)-N-(propan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Slade, M.
登録日2012-11-19
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013

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