Author results

6RTE
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DIHYDRO-HEME D1 DEHYDROGENASE NIRN IN COMPLEX WITH DHE
Descriptor:Cytochrome c, HEME C, (R,R)-2,3-BUTANEDIOL
Authors:Kluenemann, T., Preuss, A., Layer, G., Blankenfeldt, W.
Deposit date:2019-05-23
Release date:2019-06-19
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal Structure of Dihydro-Heme d1Dehydrogenase NirN from Pseudomonas aeruginosa Reveals Amino Acid Residues Essential for Catalysis.
J.Mol.Biol., 2019
6RPQ
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CRYSTAL STRUCTURE OF PHOCDC21-1 INTEIN
Descriptor:Ubiquitin-like protein SMT3,1108aa long hypothetical cell division control protein
Authors:Beyer, H.M., Mikula, K.M., Iwai, H.
Deposit date:2019-05-14
Release date:2019-08-14
Method:X-RAY DIFFRACTION (2.654 Å)
Cite:Crystal structures of CDC21-1 inteins from hyperthermophilic archaea reveal the selection mechanism for the highly conserved homing endonuclease insertion site.
Extremophiles, 2019
6RPP
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CRYSTAL STRUCTURE OF PABCDC21-1 INTEIN
Descriptor:Cell division control protein, ACETATE ION, DI(HYDROXYETHYL)ETHER
Authors:Mikula, K.M., Beyer, H.M., Iwai, H.
Deposit date:2019-05-14
Release date:2019-08-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of CDC21-1 inteins from hyperthermophilic archaea reveal the selection mechanism for the highly conserved homing endonuclease insertion site.
Extremophiles, 2019
6QIX
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THE CRYSTAL STRUCTURE OF TRICHURIS MURIS P43
Descriptor:P43, N-ACETYL-D-GLUCOSAMINE, ACETATE ION, ...
Authors:Levy, C.W.
Deposit date:2019-01-21
Release date:2019-06-12
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The major secreted protein of the whipworm parasite tethers to matrix and inhibits interleukin-13 function.
Nat Commun, 10, 2019
6HLK
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HIJACKING THE HIJACKERS: ESCHERICHIA COLI PATHOGENICITY ISLANDS REDIRECT HELPER PHAGE PACKAGING FOR THEIR OWN BENEFIT.
Descriptor:Redirecting phage packaging protein C (RppC)
Authors:Penades, J.R., Bacarizo, J., Marina, A., Alqasmi, M., Fillol-Salom, A., Roszak, A.W., Ciges-Tomas, J.R.
Deposit date:2018-09-11
Release date:2019-07-31
Last modified:2019-08-07
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Hijacking the Hijackers: Escherichia coli Pathogenicity Islands Redirect Helper Phage Packaging for Their Own Benefit.
Mol.Cell, 2019
6GER
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WHEAT B-AMYLASE, A CLINICALLY RELEVANT FOOD ALLERGEN
Descriptor:Beta-amylase
Authors:Hofer, G., Keller, W.
Deposit date:2018-04-27
Release date:2018-12-19
Method:X-RAY DIFFRACTION (2.000047 Å)
Cite:Three-dimensional structure of the wheat beta-amylase Tri a 17, a clinically relevant food allergen.
Allergy, 2018
6FP1
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THE CRYSTAL STRUCTURE OF P.FLUORESCENS KYNURENINE 3-MONOOXYGENASE (KMO) IN COMPLEX WITH COMPETITIVE INHIBITOR NO. 1
Descriptor:Kynurenine 3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, CHLORIDE ION, ...
Authors:Levy, C.W., Leys, D.
Deposit date:2018-02-08
Release date:2019-08-21
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Neuroprotective brain-permeable inhibitors of kynurenine 3-monooxygenase
To Be Published
6FP0
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THE CRYSTAL STRUCTURE OF P.FLUORESCENS KYNURENINE 3-MONOOXYGENASE (KMO) IN COMPLEX WITH COMPETITIVE INHIBITOR NO. 4
Descriptor:Kynurenine 3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, (2~{R})-2-[[(2~{R})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid, ...
Authors:Levy, C.W., Leys, D.
Deposit date:2018-02-08
Release date:2019-08-21
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Neuroprotective brain-permeable inhibitors of kynurenine 3-monooxygenase
To Be Published
6FOY
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THE CRYSTAL STRUCTURE OF P.FLUORESCENS KYNURENINE 3-MONOOXYGENASE (KMO) IN COMPLEX WITH COMPETITIVE INHIBITOR NO. 9
Descriptor:Kynurenine 3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, 5-[2,3-bis(chloranyl)phenyl]furan-2-carboxylic acid, ...
Authors:Levy, C.W., Leys, D.
Deposit date:2018-02-08
Release date:2019-08-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Neuroprotective brain-permeable inhibitors of kynurenine 3-monooxygenase
To Be Published
6FOX
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THE CRYSTAL STRUCTURE OF P.FLUORESCENS KYNURENINE 3-MONOOXYGENASE (KMO) IN COMPLEX WITH KYNURENINE
Descriptor:Kynurenine 3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, CALCIUM ION, ...
Authors:Levy, C.W., Leys, D.
Deposit date:2018-02-08
Release date:2019-08-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Neuroprotective brain-permeable inhibitors of kynurenine 3-monooxygenase
To Be Published
6E5G
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CRYSTAL STRUCTURE OF HUMAN TEAD2-YAP BINDING DOMAIN COVALENTLY BOUND TO AN ALLOSTERIC REGULATOR
Descriptor:Transcriptional enhancer factor TEF-4, 1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one
Authors:Bum-Erdene, K., Gonzalez-Gutierrez, G., Meroueh, S.O.
Deposit date:2018-07-20
Release date:2019-01-09
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Small-Molecule Covalent Modification of Conserved Cysteine Leads to Allosteric Inhibition of the TEAD⋅Yap Protein-Protein Interaction.
Cell Chem Biol, 26, 2019
6E21
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JOINT X-RAY/NEUTRON STRUCTURE OF PKAC WITH PRODUCTS SR2-ADP AND PHOSPHORYLATED PEPTIDE SP20
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, pSP20, STRONTIUM ION, ...
Authors:Kovalevsky, A., Gerlits, O.O., Taylor, S.
Deposit date:2018-07-10
Release date:2019-04-03
Last modified:2019-04-10
Method:X-RAY DIFFRACTION (2 Å), NEUTRON DIFFRACTION
Cite:Zooming in on protons: Neutron structure of protein kinase A trapped in a product complex.
Sci Adv, 5, 2019
6DHO
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RT XFEL STRUCTURE OF THE TWO-FLASH STATE OF PHOTOSYSTEM II (2F, S3-RICH) AT 2.07 ANGSTROM RESOLUTION
Descriptor:Photosystem II protein D1 1, Photosystem II CP47 reaction center protein, Photosystem II CP43 reaction center protein, ...
Authors:Kern, J., Chatterjee, R., Young, I.D., Fuller, F.D., Lassalle, L., Ibrahim, M., Gul, S., Fransson, T., Brewster, A.S., Alonso-Mori, R., Hussein, R., Zhang, M., Douthit, L., de Lichtenberg, C., Cheah, M.H., Shevela, D., Wersig, J., Seufert, I., Sokaras, D., Pastor, E., Weninger, C., Kroll, T., Sierra, R.G., Aller, P., Butryn, A., Orville, A.M., Liang, M., Batyuk, A., Koglin, J.E., Carbajo, S., Boutet, S., Moriarty, N.W., Holton, J.M., Dobbek, H., Adams, P.D., Bergmann, U., Sauter, N.K., Zouni, A., Messinger, J., Yano, J., Yachandra, V.K.
Deposit date:2018-05-20
Release date:2018-11-21
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
6DHH
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RT XFEL STRUCTURE OF PHOTOSYSTEM II 400 MICROSECONDS AFTER THE SECOND ILLUMINATION AT 2.2 ANGSTROM RESOLUTION
Descriptor:Photosystem II protein D1 1, Photosystem II CP47 reaction center protein, Photosystem II CP43 reaction center protein, ...
Authors:Kern, J., Chatterjee, R., Young, I.D., Fuller, F.D., Lassalle, L., Ibrahim, M., Gul, S., Fransson, T., Brewster, A.S., Alonso-Mori, R., Hussein, R., Zhang, M., Douthit, L., de Lichtenberg, C., Cheah, M.H., Shevela, D., Wersig, J., Seufert, I., Sokaras, D., Pastor, E., Weninger, C., Kroll, T., Sierra, R.G., Aller, P., Butryn, A., Orville, A.M., Liang, M., Batyuk, A., Koglin, J.E., Carbajo, S., Boutet, S., Moriarty, N.W., Holton, J.M., Dobbek, H., Adams, P.D., Bergmann, U., Sauter, N.K., Zouni, A., Messinger, J., Yano, J., Yachandra, V.K.
Deposit date:2018-05-20
Release date:2018-11-21
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
6DHG
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RT XFEL STRUCTURE OF PHOTOSYSTEM II 150 MICROSECONDS AFTER THE SECOND ILLUMINATION AT 2.5 ANGSTROM RESOLUTION
Descriptor:Photosystem II protein D1 1, Photosystem II CP47 reaction center protein, Photosystem II CP43 reaction center protein, ...
Authors:Kern, J., Chatterjee, R., Young, I.D., Fuller, F.D., Lassalle, L., Ibrahim, M., Gul, S., Fransson, T., Brewster, A.S., Alonso-Mori, R., Hussein, R., Zhang, M., Douthit, L., de Lichtenberg, C., Cheah, M.H., Shevela, D., Wersig, J., Seufert, I., Sokaras, D., Pastor, E., Weninger, C., Kroll, T., Sierra, R.G., Aller, P., Butryn, A., Orville, A.M., Liang, M., Batyuk, A., Koglin, J.E., Carbajo, S., Boutet, S., Moriarty, N.W., Holton, J.M., Dobbek, H., Adams, P.D., Bergmann, U., Sauter, N.K., Zouni, A., Messinger, J., Yano, J., Yachandra, V.K.
Deposit date:2018-05-20
Release date:2018-11-21
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
6D54
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LOW TEMPERATURE JOINT X-RAY/NEUTRON STRUCTURE OF DNA OLIGONUCLEOTIDE D(GTGGCCAC)2 WITH 2'-SECH3 MODIFICATION ON CYT5
Descriptor:DNA (5'-D(*GP*TP*GP*GP*(CSL)P*CP*AP*C)-3'), MAGNESIUM ION
Authors:Kovalevsky, A., Huang, Z., Vandavasi, V.G.
Deposit date:2018-04-19
Release date:2018-10-17
Last modified:2018-12-19
Method:X-RAY DIFFRACTION (1.65 Å), NEUTRON DIFFRACTION
Cite:Temperature-Induced Replacement of Phosphate Proton with Metal Ion Captured in Neutron Structures of A-DNA.
Structure, 26, 2018
6D4L
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JOINT X-RAY/NEUTRON STRUCTURE OF DNA OLIGONUCLEOTIDE D(GTGGCCAC)2 WITH 2'-SECH3 MODIFICATION ON CYT5
Descriptor:DNA (5'-D(*GP*TP*GP*GP*(CSL)P*CP*AP*C)-3'), MAGNESIUM ION
Authors:Kovalevsky, A., Huang, Z., Vandavasi, V.G.
Deposit date:2018-04-18
Release date:2018-10-17
Last modified:2019-04-17
Method:X-RAY DIFFRACTION (1.56 Å), NEUTRON DIFFRACTION
Cite:Temperature-Induced Replacement of Phosphate Proton with Metal Ion Captured in Neutron Structures of A-DNA.
Structure, 26, 2018
6BQ8
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JOINT X-RAY/NEUTRON STRUCTURE OF PKG II CNB-B DOMAIN IN COMPLEX WITH 8-PCPT-CGMP
Descriptor:cGMP-dependent protein kinase 2, 2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one, STRONTIUM ION, ...
Authors:Kim, C., Kovalevsky, A., Gerlits, O.
Deposit date:2017-11-27
Release date:2018-03-21
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2 Å), NEUTRON DIFFRACTION
Cite:Neutron Crystallography Detects Differences in Protein Dynamics: Structure of the PKG II Cyclic Nucleotide Binding Domain in Complex with an Activator.
Biochemistry, 57, 2018
6BCC
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JOINT X-RAY/NEUTRON STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH ETHOXZOLAMIDE
Descriptor:Carbonic anhydrase 2, ZINC ION, 6-ethoxy-1,3-benzothiazole-2-sulfonamide
Authors:Kovalevsky, A., McKenna, R., Aggarwal, M.
Deposit date:2017-10-20
Release date:2018-02-28
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (1.8 Å), NEUTRON DIFFRACTION
Cite:"To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation.
Structure, 26, 2018
6BC9
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JOINT X-RAY/NEUTRON STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH DORZOLAMIDE
Descriptor:Carbonic anhydrase 2, ZINC ION, (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE
Authors:Kovalevsky, A., McKenna, R., Aggarwal, M.
Deposit date:2017-10-20
Release date:2018-02-28
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.8 Å), NEUTRON DIFFRACTION
Cite:"To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation.
Structure, 26, 2018
6BBS
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JOINT X-RAY/NEUTRON STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH BRINZOLAMIDE
Descriptor:Carbonic anhydrase 2, ZINC ION, (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE
Authors:Kovalevsky, A., Aggarwal, M., McKenna, R.
Deposit date:2017-10-19
Release date:2018-02-28
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (2 Å), NEUTRON DIFFRACTION
Cite:"To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation.
Structure, 26, 2018
5ZO0
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NEUTRON STRUCTURE OF XYLANASE AT PD5.4
Descriptor:Endo-1,4-beta-xylanase 2
Authors:Wan, Q., Li, Z.H.
Deposit date:2018-04-12
Release date:2019-05-15
Method:NEUTRON DIFFRACTION (1.648 Å)
Cite:Neutron structure of xylanase at pD5.4
To be published
5ZKZ
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CRYSTAL STRUCTURES OF MUTANT ENDO-BETA-1,4-XYLANASE II(Y77F) COMPLEXED WITH XYLOTRIOSE
Descriptor:Endo-1,4-beta-xylanase 2, BETA-D-XYLOPYRANOSE, GLYCEROL, ...
Authors:Zhang, X., Wan, Q.
Deposit date:2018-03-26
Release date:2019-04-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structures of Endo-beta-1,4-xylanase II
to be published
5ZIW
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CRYSTAL STRUCTURES OF MUTANT ENDO-BETA-1,4-XYLANASE(Y77F)
Descriptor:Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Zhang, X., Wan, Q.
Deposit date:2018-03-17
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structures of Endo-beta-1,4-xylanase II
to be published
5ZII
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CRYSTAL STRUCTURES OF MUTANT ENDO-BETA-1,4-XYLANASE II (Y88F)COMPLEXED WITH XYLOTRIOSE
Descriptor:Endo-1,4-beta-xylanase 2, BETA-D-XYLOPYRANOSE, IODIDE ION
Authors:Zhang, X., Wan, Q.
Deposit date:2018-03-15
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structures of Endo-beta-1,4-xylanase II
to be published