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6B6C
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BU of 6b6c by Molmil
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 30ms
Descriptor: Beta-lactamase, Ceftriaxone
Authors:Pandey, S, Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: (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, ...
Authors:Pandey, S, Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (2.298 Å)
Cite: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
Descriptor: (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
Authors:Pandey, S, Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.901 Å)
Cite: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
Descriptor: (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, ...
Authors:Pandey, S, Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Pandey, S.
Deposit date:2017-09-29
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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
Descriptor: Beta-lactamase, Ceftriaxone
Authors:Pandey, S, Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: Prefoldin subunit alpha 2
Authors:Wang, F, Chen, Y.X, Ing, N.L, Hochbaum, A.I, Clark, D.S, Glover, D.J, Egelman, E.H.
Deposit date:2020-02-25
Release date:2020-05-13
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6 Å)
Cite: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
Descriptor: (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
Authors:Feng, Y.C, Peng, H, Hong, Y, Liu, Y.
Deposit date:2020-07-29
Release date:2020-12-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: hypothetical protein BC4709
Authors:Liu, G, Acton, T, Parish, D, Ma, L, Xu, D, Xiao, R, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2004-10-04
Release date:2004-12-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite: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
Descriptor: SPERMIDINE, TetR family transcriptional regulator
Authors:Werten, S, Palm, G.J, Hinrichs, W.
Deposit date:2021-09-25
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.89 Å)
Cite: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)
Descriptor: Uncharacterized protein RavD
Authors:Wang, X, Zhou, Y, Zhu, Y.
Deposit date:2018-12-28
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: Di-ubiquitin, MAGNESIUM ION, RavD
Authors:Wang, X, Zhou, Y, Zhu, Y.
Deposit date:2019-01-03
Release date:2019-05-22
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: N-(3-{[2-amino-3-(4-phenoxyphenyl)pyridin-4-yl]oxy}phenyl)propanamide, Tyrosine-protein kinase BTK
Authors:Mochalkin, I.
Deposit date:2018-12-03
Release date:2019-02-06
Method:X-RAY DIFFRACTION (2.23 Å)
Cite: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
Descriptor: Putative zinc protease, ZINC ION, Zinc-dependent peptidase
Authors:Xu, M, Xu, Q, Ran, T, Wang, W, Sun, B, Wang, Q.
Deposit date:2021-08-16
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: UPF0434 protein BB2007
Authors: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)
Deposit date:2007-06-29
Release date:2007-07-10
Last modified:2024-05-29
Method:SOLUTION NMR
Cite: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
Descriptor: XisI protein-like
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-05-21
Release date:2008-06-17
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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.
Descriptor: Non-structural protein 7, Non-structural protein 8
Authors:Biswal, M, Hai, R, Song, J.
Deposit date:2020-07-30
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: 6-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(6-ethylpyridin-2-yl)amino]pyridazine-3-carboxamide, Tyrosine-protein kinase SYK
Authors:Kuglstatter, A, Slade, M.
Deposit date:2012-07-06
Release date:2013-07-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
Authors:Li, W, Feng, Y, Ge, J, Yang, M.
Deposit date:2012-07-19
Release date:2012-10-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.262 Å)
Cite: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
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, FRAGMENT OF TRITON X-100, MAGNESIUM ION, ...
Authors:Li, W, Feng, Y, Ge, J, Yang, M.
Deposit date:2012-07-19
Release date:2012-10-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.39 Å)
Cite: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
Descriptor: 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, ...
Authors:Li, W, Feng, Y, Ge, J, Yang, M.
Deposit date:2012-07-19
Release date:2012-10-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.48 Å)
Cite: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
Descriptor: 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, ...
Authors:Li, W, Feng, Y, Ge, J, Yang, M.
Deposit date:2012-07-19
Release date:2012-10-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.522 Å)
Cite: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
Descriptor: 6-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(5,6-dimethylpyridin-2-yl)amino]pyridazine-3-carboxamide, Tyrosine-protein kinase SYK
Authors:Lukacs, C, Slade, M.
Deposit date:2012-08-03
Release date:2013-08-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
Descriptor: CHLORIDE ION, GLYCEROL, hypothetical protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2006-10-06
Release date:2006-10-24
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 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
Authors:Kuglstatter, A, Slade, M.
Deposit date:2012-11-19
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013

221051

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