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6E8R
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STRUCTURE OF THE SNX32 PX DOMAIN IN COMPLEX WITH CHLAMYDIAL PROTEIN INCE IN SPACE GROUP I121
Descriptor:Sorting nexin-32, IncE
Authors:Paul, B., Collins, B.
Deposit date:2018-07-31
Release date:2018-09-26
Method:X-RAY DIFFRACTION (2.268 Å)
Cite:Crystal structure of the SNX32 PX domain in complex with the Chlamydia trachomatis inclusion protein IncE
To be Published
5TGH
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STRUCTURE OF THE SNX5 PX DOMAIN IN COMPLEX WITH CHLAMYDIAL PROTEIN INCE IN SPACE GROUP P32
Descriptor:Sorting nexin-5, IncE
Authors:Collins, B., Paul, B.
Deposit date:2016-09-27
Release date:2017-05-03
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for the hijacking of endosomal sorting nexin proteins byChlamydia trachomatis.
Elife, 6, 2017
3HKN
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HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH (2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL) -(1-4)-1,2,3,6-TETRA-O-ACETYL-1-THIO-BETA-D-GLUCOPYRANOSYLSULFONAMIDE
Descriptor:Carbonic anhydrase 2, ZINC ION, (1S)-2,3,6-tri-O-acetyl-1,5-anhydro-1-sulfamoyl-4-O-(2,3,4,6-tetra-O-acetyl-beta-D-galactopyranosyl)-D-glucitol, ...
Authors:Paul, B., Poulsen, S.-A., Hofmann, A.
Deposit date:2009-05-25
Release date:2009-10-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52, 2009
3HKQ
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HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH 1-S-D-GALACTOPYRANOSYLSULFONAMIDE
Descriptor:Carbonic anhydrase 2, ZINC ION, (2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-sulfonamide, ...
Authors:Paul, B., Poulsen, S.-A., Hofmann, A.
Deposit date:2009-05-25
Release date:2009-10-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:S-Glycosyl Primary Sulfonamides-A New Structural Class for Selective Inhibition of Cancer-Associated Carbonic Anhydrases
J.Med.Chem., 2009
3HKT
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HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH ALPHA-D-GLUCOPYRANOSYL-(1->4)-1-THIO-BETA-D-GLUCOPYRANOSYLSULFONAMIDE
Descriptor:Carbonic anhydrase 2, ZINC ION, (2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxane-2-sulfonamide
Authors:Paul, B., Poulsen, S.-A., Hofmann, A.
Deposit date:2009-05-25
Release date:2009-10-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:S-Glycosyl Primary Sulfonamides-A New Structural Class for Selective Inhibition of Cancer-Associated Carbonic Anhydrases
J.Med.Chem., 2009
3HKU
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HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH TOPIRAMATE
Descriptor:Carbonic anhydrase 2, ZINC ION, [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate
Authors:Paul, B., Poulsen, S.-A., Hofmann, A.
Deposit date:2009-05-25
Release date:2009-10-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:S-Glycosyl Primary Sulfonamides-A New Structural Class for Selective Inhibition of Cancer-Associated Carbonic Anhydrases
J.Med.Chem., 2009
5TGI
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STRUCTURE OF THE SNX5 PX DOMAIN IN COMPLEX WITH CHLAMYDIAL PROTEIN INCE IN SPACE GROUP P212121
Descriptor:Sorting nexin-5, IncE
Authors:Collins, B., Paul, B.
Deposit date:2016-09-28
Release date:2017-06-28
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure of the SNX5 PX domain in complex with chlamydial protein IncE
To Be Published
5TGJ
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STRUCTURE OF THE SNX5 PX DOMAIN IN COMPLEX WITH CHLAMYDIAL PROTEIN INCE IN SPACE GROUP I2
Descriptor:Sorting nexin-5, IncE
Authors:Collins, B., Paul, B.
Deposit date:2016-09-28
Release date:2017-10-11
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the SNX5 PX domain in complex with chlamydial protein IncE
To Be Published
4PG0
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INSIGHTS INTO SUBSTRATE AND METAL BINDING FROM THE CRYSTAL STRUCTURE OF CYANOBACTERIAL ALDEHYDE DEFORMYLATING OXYGENASE WITH SUBSTRATE BOUND
Descriptor:Aldehyde decarbonylase, FE (III) ION, (1S,2S)-2-nonylcyclopropanecarboxylic acid, ...
Authors:Buer, B.C., Paul, B., Das, D., Stuckey, J.A., Marsh, E.N.G.
Deposit date:2014-05-01
Release date:2014-11-26
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
Acs Chem.Biol., 9, 2014
4PG1
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INSIGHTS INTO SUBSTRATE AND METAL BINDING FROM THE CRYSTAL STRUCTURE OF CYANOBACTERIAL ALDEHYDE DEFORMYLATING OXYGENASE WITH SUBSTRATE BOUND
Descriptor:Aldehyde decarbonylase, FE (III) ION, (1S,2S)-2-nonylcyclopropanecarboxylic acid, ...
Authors:Buer, B.C., Paul, B., Das, D., Stuckey, J.A., Marsh, E.N.G.
Deposit date:2014-05-01
Release date:2014-11-19
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
Acs Chem.Biol., 9, 2014
4PGI
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INSIGHTS INTO SUBSTRATE AND METAL BINDING FROM THE CRYSTAL STRUCTURE OF CYANOBACTERIAL ALDEHYDE DEFORMYLATING OXYGENASE WITH SUBSTRATE ANALOGS BOUND
Descriptor:Aldehyde decarbonylase, FE (III) ION, 11-[2-(2-ethoxyethoxy)ethoxy]undecanal, ...
Authors:Buer, B.C., Paul, B., Das, D., Stuckey, J.A., Marsh, E.N.G.
Deposit date:2014-05-02
Release date:2015-02-11
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
Acs Chem.Biol., 9, 2014
4PGK
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INSIGHTS INTO SUBSTRATE AND METAL BINDING FROM THE CRYSTAL STRUCTURE OF CYANOBACTERIAL ALDEHYDE DEFORMYLATING OXYGENASE WITH SUBSTRATE BOUND
Descriptor:Aldehyde decarbonylase, FE (III) ION, 11-[2-(2-ethoxyethoxy)ethoxy]undecanal
Authors:Buer, B.C., Paul, B., Das, D., Stuckey, J.A., Marsh, E.N.G.
Deposit date:2014-05-02
Release date:2014-12-24
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
Acs Chem.Biol., 9, 2014
4TW3
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INSIGHTS INTO SUBSTRATE AND METAL BINDING FROM THE CRYSTAL STRUCTURE OF CYANOBACTERIAL ALDEHYDE DEFORMYLATING OXYGENASE WITH SUBSTRATE BOUND
Descriptor:Aldehyde decarbonylase, FE (III) ION, STEARIC ACID, ...
Authors:Buer, B.C., Paul, B., Das, D., Stuckey, J.A., Marsh, E.N.G.
Deposit date:2014-06-29
Release date:2014-10-15
Last modified:2015-02-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
Acs Chem.Biol., 9, 2014
6ERI
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STRUCTURE OF THE CHLOROPLAST RIBOSOME WITH CHL-RRF AND HIBERNATION-PROMOTING FACTOR
Descriptor:23S ribosomal RNA, 4.5S ribosomal RNA, 50S ribosomal protein L2, ...
Authors:Perez Borema, A., Aibara, S., Paul, B., Tobiasson, V., Kimanius, D., Forsberg, B.O., Wallden, K., Lindahl, E., Amunts, A.
Deposit date:2017-10-18
Release date:2018-04-18
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of the chloroplast ribosome with chl-RRF and hibernation-promoting factor.
Nat Plants, 4, 2018
5IOO
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ACCOMMODATION OF MASSIVE SEQUENCE VARIATION IN NANOARCHAEOTA BY THE C-TYPE LECTIN FOLD
Descriptor:AvpA, MAGNESIUM ION
Authors:Handa, S., Paul, B., Miller, J., Valentine, D., Ghosh, P.
Deposit date:2016-03-08
Release date:2016-11-09
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.521 Å)
Cite:Conservation of the C-type lectin fold for accommodating massive sequence variation in archaeal diversity-generating retroelements.
Bmc Struct.Biol., 16, 2016
5WOE
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SOLUTION STRUCTURE OF THE SORTING NEXIN 25 PHOX-HOMOLOGY DOMAIN
Descriptor:Sorting nexin-25
Authors:Chin, Y.K.Y., Mas, C., Mobli, M., Collins, B.M.
Deposit date:2017-08-01
Release date:2018-08-08
Method:SOLUTION NMR
Cite:Solution structure of the sorting nexin 25 phox-homology domain reveals a novel phosphoinositide binding mechanism
To Be Published
6GTC
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TRANSITION STATE STRUCTURE OF CPF1(CAS12A) I1 CONFORMATION
Descriptor:CRISPR-associated endonuclease Cas12a, RNA (28-MER), DNA (5'-D(P*TP*GP*AP*CP*TP*TP*CP*TP*CP*TP*AP*AP*CP*AP*AP*GP*CP*TP*CP*G)-3'), ...
Authors:Mesa, P., Montoya, G.
Deposit date:2018-06-18
Release date:2018-12-19
Last modified:2018-12-26
Method:ELECTRON MICROSCOPY (3.91 Å)
Cite:Conformational Activation Promotes CRISPR-Cas12a Catalysis and Resetting of the Endonuclease Activity.
Cell, 175, 2018
6GTD
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TRANSIENT STATE STRUCTURE OF CRISPR-CPF1 (CAS12A) I2 CONFORMATION
Descriptor:CRISPR-associated endonuclease Cas12a, RNA (28-MER), DNA (5'-D(P*TP*GP*AP*CP*TP*TP*CP*TP*CP*TP*AP*AP*CP*AP*AP*GP*CP*TP*CP*G)-3'), ...
Authors:Montoya, G., Mesa, P.
Deposit date:2018-06-18
Release date:2018-12-19
Last modified:2018-12-26
Method:ELECTRON MICROSCOPY (4.24 Å)
Cite:Conformational Activation Promotes CRISPR-Cas12a Catalysis and Resetting of the Endonuclease Activity.
Cell, 175, 2018
6GTE
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TRANSIENT STATE STRUCTURE OF CRISPR-CPF1 (CAS12A) I3 CONFORMATION
Descriptor:CRISPR-associated endonuclease Cas12a, RNA (29-MER), DNA (5'-D(P*AP*TP*GP*AP*CP*TP*TP*CP*TP*CP*TP*AP*AP*CP*AP*AP*GP*CP*TP*CP*G)-3'), ...
Authors:Montoya, G., Mesa, P., Stella, S.
Deposit date:2018-06-18
Release date:2018-12-19
Last modified:2018-12-26
Method:ELECTRON MICROSCOPY (4.07 Å)
Cite:Conformational Activation Promotes CRISPR-Cas12a Catalysis and Resetting of the Endonuclease Activity.
Cell, 175, 2018
6GTF
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TRANSIENT STATE STRUCTURE OF CRISPR-CPF1 (CAS12A) I5 CONFORMATION
Descriptor:CRISPR-associated endonuclease Cas12a, RNA (29-MER), DNA (5'-D(P*AP*TP*GP*AP*CP*TP*TP*CP*TP*CP*TP*AP*AP*CP*AP*AP*GP*CP*TP*CP*G)-3'), ...
Authors:Montoya, G., Mesa, P., Stella, S.
Deposit date:2018-06-18
Release date:2018-12-19
Last modified:2018-12-26
Method:ELECTRON MICROSCOPY (3.63 Å)
Cite:Conformational Activation Promotes CRISPR-Cas12a Catalysis and Resetting of the Endonuclease Activity.
Cell, 175, 2018
6GTG
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TRANSITION STATE STRUCTURE OF CPF1(CAS12A) I4 CONFORMATION
Descriptor:CRISPR-associated endonuclease Cas12a, RNA (40-MER), DNA (32-MER), ...
Authors:Mesa, P., Montoya, G., Stella, S.
Deposit date:2018-06-18
Release date:2018-12-19
Last modified:2018-12-26
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Conformational Activation Promotes CRISPR-Cas12a Catalysis and Resetting of the Endonuclease Activity.
Cell, 175, 2018
4UNN
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MTB TMK IN COMPLEX WITH COMPOUND 8
Descriptor:THYMIDYLATE KINASE, 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid
Authors:Read, J.A., Hussein, S., Gingell, H., Tucker, J.
Deposit date:2014-05-29
Release date:2015-06-17
Last modified:2015-07-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNP
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MTB TMK IN COMPLEX WITH COMPOUND 34
Descriptor:THYMIDYLATE KINASE, 5-methyl-7-propyl-1,6-naphthyridin-2(1H)-one
Authors:Read, J.A., Hussein, S., Gingell, H., Tucker, J.
Deposit date:2014-05-30
Release date:2015-01-14
Last modified:2015-07-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNQ
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MTB TMK IN COMPLEX WITH COMPOUND 36
Descriptor:THYMIDYLATE KINASE, 4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile, SODIUM ION
Authors:Read, J.A., Hussein, S., Gingell, H., Tucker, J.
Deposit date:2014-05-30
Release date:2015-06-24
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNR
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MTB TMK IN COMPLEX WITH COMPOUND 23
Descriptor:THYMIDYLATE KINASE, MAGNESIUM ION, 4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid
Authors:Read, J.A., Hussein, S., Gingell, H., Tucker, J.
Deposit date:2014-05-30
Release date:2015-06-17
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
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