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2KQE
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BU of 2kqe by Molmil
Second PBZ domain of human APLF protein in complex with ribofuranosyladenosine
Descriptor: ADENOSINE, Aprataxin and PNK-like factor, ZINC ION, ...
Authors:Neuhaus, D, Eustermann, S, Brockmann, C, Yang, J.
Deposit date:2009-11-04
Release date:2010-01-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structures of the two PBZ domains from human APLF and their interaction with poly(ADP-ribose).
Nat.Struct.Mol.Biol., 17, 2010
5C9J
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BU of 5c9j by Molmil
Human CD1c with ligands in A' and F' channel
Descriptor: Beta-2-microglobulin, GLYCEROL, LAURIC ACID, ...
Authors:Tews, I, Machelett, M.M, Mansour, S, Gadola, S.D.
Deposit date:2015-06-27
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cholesteryl esters stabilize human CD1c conformations for recognition by self-reactive T cells.
Proc.Natl.Acad.Sci.USA, 113, 2016
6S90
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BU of 6s90 by Molmil
BTK in complex with an inhibitor
Descriptor: 4-~{tert}-butyl-~{N}-[2-methyl-3-[6-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]benzamide, Tyrosine-protein kinase BTK
Authors:Gutmann, S, Hinniger, A.
Deposit date:2019-07-11
Release date:2019-09-18
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Design of Potent and Selective Covalent Inhibitors of Bruton's Tyrosine Kinase Targeting an Inactive Conformation.
Acs Med.Chem.Lett., 10, 2019
4MKN
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BU of 4mkn by Molmil
Crystal structure of chloroplastic triosephosphate isomerase from Chlamydomonas reinhardtii at 1.1 A of resolution
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Triosephosphate isomerase
Authors:Fermani, S, Sciabolini, C, Zaffagnini, M, Lemaire, S.D.
Deposit date:2013-09-05
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:High-Resolution Crystal Structure and Redox Properties of Chloroplastic Triosephosphate Isomerase from Chlamydomonas reinhardtii.
Mol Plant, 7, 2014
5JDC
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BU of 5jdc by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor NP-13 (Hesperetin)
Descriptor: (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one, ACETATE ION, GLYCEROL, ...
Authors:Mangani, S, Pozzi, C, Di Pisa, F, Landi, G, Dello Iacono, L.
Deposit date:2016-04-16
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
5J7W
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BU of 5j7w by Molmil
Enterococcus faecalis thymidylate synthase complex with methotrexate
Descriptor: METHOTREXATE, SULFATE ION, Thymidylate synthase
Authors:Mangani, S, Pozzi, C.
Deposit date:2016-04-07
Release date:2016-09-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray crystal structures of Enterococcus faecalis thymidylate synthase with folate binding site inhibitors.
Eur.J.Med.Chem., 123, 2016
2L31
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BU of 2l31 by Molmil
Human PARP-1 zinc finger 2
Descriptor: Poly [ADP-ribose] polymerase 1, ZINC ION
Authors:Neuhaus, D, Eustermann, S, Yang, J, Videler, H.
Deposit date:2010-08-30
Release date:2011-02-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The DNA-binding domain of human PARP-1 interacts with DNA single-strand breaks as a monomer through its second zinc finger.
J.Mol.Biol., 407, 2011
2L30
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BU of 2l30 by Molmil
Human PARP-1 zinc finger 1
Descriptor: Poly [ADP-ribose] polymerase 1, ZINC ION
Authors:Neuhaus, D, Eustermann, S, Yang, J, Videler, H.
Deposit date:2010-08-30
Release date:2011-02-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The DNA-binding domain of human PARP-1 interacts with DNA single-strand breaks as a monomer through its second zinc finger.
J.Mol.Biol., 407, 2011
4LQV
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BU of 4lqv by Molmil
Thrirty minutes iron loaded frog M ferritin
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
Deposit date:2013-07-19
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
4LYU
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BU of 4lyu by Molmil
Fifteen minutes iron loaded frog M ferritin
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
Deposit date:2013-07-31
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
4LQJ
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BU of 4lqj by Molmil
Two minutes iron loaded frog M ferritin
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
Deposit date:2013-07-18
Release date:2014-09-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
5IS5
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BU of 5is5 by Molmil
Discovery and Pharmacological Characterization of Novel Quinazoline-based PI3K delta-selective Inhibitors
Descriptor: 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Gutmann, S, Rummel, G, Shrestha, B.
Deposit date:2016-03-15
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors.
Acs Med.Chem.Lett., 7, 2016
4MDF
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BU of 4mdf by Molmil
Structure of bacterial polynucleotide kinase Michaelis complex bound to GTP and DNA
Descriptor: CITRIC ACID, DNA (5'-D(*CP*CP*TP*GP*T)-3'), GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Shuman, S, Das, U, Wang, L.K, Smith, P, Jacewicz, A.
Deposit date:2013-08-22
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.727 Å)
Cite:Structures of bacterial polynucleotide kinase in a Michaelis complex with GTP*Mg2+ and 5'-OH oligonucleotide and a product complex with GDP*Mg2+ and 5'-PO4 oligonucleotide reveal a mechanism of general acid-base catalysis and the determinants of phosphoacceptor recognition.
Nucleic Acids Res., 42, 2014
5IU2
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BU of 5iu2 by Molmil
Discovery of imidazoquinolines as a novel class of potent, selective and in vivo efficacious COT kinase inhibitors
Descriptor: Mitogen-activated protein kinase kinase kinase 8, N-[2-(morpholin-4-yl)ethyl]-6-(8-phenyl-1H-imidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine
Authors:Gutmann, S, Hinniger, A.
Deposit date:2016-03-17
Release date:2016-08-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of Imidazoquinolines as a Novel Class of Potent, Selective, and in Vivo Efficacious Cancer Osaka Thyroid (COT) Kinase Inhibitors.
J.Med.Chem., 59, 2016
2NDA
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BU of 2nda by Molmil
Solution structure of MapZ extracellular domain second subdomain
Descriptor: Mid-cell-anchored protein Z
Authors:Jean, N.L, Manuse, S, Guinot, M, Bougault, C.M, Grangeasse, C, Simorre, J.-P.
Deposit date:2016-05-11
Release date:2016-06-29
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure-function analysis of the extracellular domain of the pneumococcal cell division site positioning protein MapZ.
Nat Commun, 7, 2016
2ND9
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BU of 2nd9 by Molmil
Solution structure of MapZ extracellular domain first subdomain
Descriptor: Mid-cell-anchored protein Z
Authors:Jean, N.L, Manuse, S, Guinot, M, Bougault, C.M, Grangeasse, C, Simorre, J.-P.
Deposit date:2016-05-11
Release date:2016-06-29
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure-function analysis of the extracellular domain of the pneumococcal cell division site positioning protein MapZ.
Nat Commun, 7, 2016
4MN9
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BU of 4mn9 by Molmil
Fifteen minutes iron loaded frog M ferritin mutant H54Q
Descriptor: CHLORIDE ION, FE (III) ION, Ferritin, ...
Authors:Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
Deposit date:2013-09-10
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
4MKU
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BU of 4mku by Molmil
Frog M ferritin mutant H54Q
Descriptor: CHLORIDE ION, Ferritin, middle subunit, ...
Authors:Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
Deposit date:2013-09-05
Release date:2014-09-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
4ML5
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BU of 4ml5 by Molmil
one minute iron loaded frog M ferritin mutant H54Q
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
Deposit date:2013-09-06
Release date:2014-09-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
4MJY
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BU of 4mjy by Molmil
Sixty minutes iron loaded frog M ferritin mutant H54Q
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
Deposit date:2013-09-04
Release date:2014-09-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
4MY7
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BU of 4my7 by Molmil
frog M ferritin iron-loaded under anaerobic environment
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
Deposit date:2013-09-27
Release date:2014-09-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
6I36
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BU of 6i36 by Molmil
SIXTY MINUTES IRON LOADED FROG M FERRITIN
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
Deposit date:2018-11-05
Release date:2018-12-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Time-Lapse Anomalous X-Ray Diffraction Shows How Fe(2+) Substrate Ions Move Through Ferritin Protein Nanocages To Oxidoreductase Sites.
Acta Crystallogr.,Sect.D, 71, 2015
4LYX
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BU of 4lyx by Molmil
five minutes iron loaded frog M ferritin
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
Deposit date:2013-07-31
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
4LPJ
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BU of 4lpj by Molmil
One minute iron loaded frog M ferritin
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
Deposit date:2013-07-16
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
4LQH
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BU of 4lqh by Molmil
High resolution structure of native frog M ferritin
Descriptor: CHLORIDE ION, Ferritin, middle subunit, ...
Authors:Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
Deposit date:2013-07-18
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015

223790

数据于2024-08-14公开中

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