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5R4G
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF IN COMPLEX WITH FMOPL000621A
Descriptor:Nucleosome-remodeling factor subunit BPTF, DIMETHYL SULFOXIDE, 4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate
Authors:Talon, R., Krojer, T., Fairhead, M., Sethi, R., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Wright, N., MacLean, E., Renjie, Z., Dias, A., Brennan, P.E., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2020-02-24
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R4H
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF IN COMPLEX WITH FMOPL000287A
Descriptor:Nucleosome-remodeling factor subunit BPTF, DIMETHYL SULFOXIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Talon, R., Krojer, T., Fairhead, M., Sethi, R., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Wright, N., MacLean, E., Renjie, Z., Dias, A., Brennan, P.E., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2020-02-24
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R4I
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF IN COMPLEX WITH FMOPL000443A
Descriptor:Nucleosome-remodeling factor subunit BPTF, DIMETHYL SULFOXIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Talon, R., Krojer, T., Fairhead, M., Sethi, R., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Wright, N., MacLean, E., Renjie, Z., Dias, A., Brennan, P.E., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2020-02-24
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R4J
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF IN COMPLEX WITH FMOPL000280A
Descriptor:Nucleosome-remodeling factor subunit BPTF, DIMETHYL SULFOXIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Talon, R., Krojer, T., Fairhead, M., Sethi, R., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Wright, N., MacLean, E., Renjie, Z., Dias, A., Brennan, P.E., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2020-02-24
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R4K
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF IN COMPLEX WITH FMOPL000292A
Descriptor:Nucleosome-remodeling factor subunit BPTF, DIMETHYL SULFOXIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Talon, R., Krojer, T., Fairhead, M., Sethi, R., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Wright, N., MacLean, E., Renjie, Z., Dias, A., Brennan, P.E., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2020-02-24
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R4L
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF IN COMPLEX WITH FMOPL000349A
Descriptor:Nucleosome-remodeling factor subunit BPTF, DIMETHYL SULFOXIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Talon, R., Krojer, T., Fairhead, M., Sethi, R., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Wright, N., MacLean, E., Renjie, Z., Dias, A., Brennan, P.E., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2020-02-24
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R4M
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF IN COMPLEX WITH FMOPL000513A
Descriptor:Nucleosome-remodeling factor subunit BPTF, DIMETHYL SULFOXIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Talon, R., Krojer, T., Fairhead, M., Sethi, R., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Wright, N., MacLean, E., Renjie, Z., Dias, A., Brennan, P.E., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2020-02-24
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R4N
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF IN COMPLEX WITH FMOPL000061A
Descriptor:Nucleosome-remodeling factor subunit BPTF, DIMETHYL SULFOXIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Talon, R., Krojer, T., Fairhead, M., Sethi, R., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Wright, N., MacLean, E., Renjie, Z., Dias, A., Brennan, P.E., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2020-02-24
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R4O
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PANDDA ANALYSIS GROUP DEPOSITION OF GROUND-STATE MODEL OF BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF
Descriptor:Nucleosome-remodeling factor subunit BPTF, DIMETHYL SULFOXIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Authors:Talon, R., Krojer, T., Fairhead, M., Sethi, R., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Wright, N., MacLean, E., Renjie, Z., Dias, A., Brennan, P.E., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2020-02-25
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5R8T
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PANDDA ANALYSIS GROUP DEPOSITION OF GROUND-STATE MODEL OF SARS-COV-2 MAIN PROTEASE SCREENED AGAINST DSI POISED (ENAMINE), FRAGLITES AND PEPLITES (NEWCASTLE UNIVERSITY), MINI FRAGS (ASTEX), YORK 3D (YORK UNIVERSITY), ELECTROPHILE CYSTEINE COVALENT (WEIZMAN INSTITUTE) FRAGMENT LIBRARIES
Descriptor:SARS-CoV-2 main protease, DIMETHYL SULFOXIDE
Authors:Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Resnick, E., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Skyner, R., Snee, M., London, N., Walsh, M.A., von Delft, F.
Deposit date:2020-03-03
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:PanDDA analysis group deposition of ground-state model of SARS-CoV-2 main protease fragment screening
To Be Published
6HKQ
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HUMAN GPX4 IN COMPLEX WITH COVALENT INHIBITOR ML162 (S ENANTIOMER)
Descriptor:Phospholipid hydroperoxide glutathione peroxidase, (2~{S})-2-[2-chloranylethanoyl-(3-chloranyl-4-methoxy-phenyl)amino]-~{N}-(2-phenylethyl)-2-thiophen-2-yl-ethanamide, SULFATE ION, ...
Authors:Hillig, R.C., Moosmayer, D., Hilpmann, A., Hoffmann, L., Schnirch, L., Eaton, J.K., Badock, V., Gradl, S.
Deposit date:2018-09-07
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Targeting a Therapy-Resistant Cancer Cell State Using Masked Electrophiles as GPX4 Inhibitors
To be published
6HN3
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WILDTYPE FORM (APO) OF HUMAN GPX4 WITH SE-CYS46
Descriptor:Phospholipid hydroperoxide glutathione peroxidase, CHLORIDE ION, ETHANOL
Authors:Hillig, R.C., Moosmayer, D., Hilpmann, A., Hoffmann, J., Schnirch, L., Eaton, J.K., Badock, V., Gradl, S.
Deposit date:2018-09-13
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Targeting a Therapy-Resistant Cancer Cell State Using Masked Electrophiles as GPX4 Inhibitors
To be published
6JBY
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CRYSTAL STRUCTURE OF ENDO-DEGLYCOSYLATED HYDROXYNITRILE LYASE ISOZYME 5 OF PRUNUS COMMUNIS
Descriptor:Hnl isoenzyme 5, N-ACETYL-D-GLUCOSAMINE, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Zheng, Y.C., Li, F.L., Yu, H.L., Xu, J.H.
Deposit date:2019-01-27
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of endo-deglycosylated hydroxynitrile lyase isozyme 5 of Prunus communis
To Be Published
6JFB
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CRYSTAL STRUCTURE OF HUMAN PYRUVATE KINASE M2 ISOFORM
Descriptor:Pyruvate kinase PKM Isoform M2, SERINE, PHOSPHATE ION
Authors:Chen, T.J., Wang, W.C.
Deposit date:2019-02-08
Release date:2020-04-01
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal structure of human pyruvate kinase M2 isoform
To Be Published
6JPI
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CRYSTAL STRUCTURE OF PA4674 IN COMPLEX WITH ITS OPERATOR DNA (28BP) FROM PSEUDOMONAS AERUGINOSA
Descriptor:HTH cro/C1-type domain-containing protein, DNA (28-MER)
Authors:Liu, Y., Gao, Z., Zhang, H., Dong, Y.
Deposit date:2019-03-27
Release date:2020-04-01
Method:X-RAY DIFFRACTION (3.143 Å)
Cite:Crystal structure of PA4674 in complex with its operator DNA (28bp) from Pseudomonas aeruginosa
To Be Published
6JPP
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SOLUTION STRUCTURE OF ELMO1 RBD
Descriptor:Engulfment and cell motility protein 1
Authors:Tsuda, K., Kukimoto-Niino, M., Shirouzu, M.
Deposit date:2019-03-27
Release date:2020-04-01
Method:SOLUTION NMR
Cite:Solution structure of ELMO1 RBD
To Be Published
6JQ2
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CRYSTAL STRUCTURE OF H2-KB IN COMPLEX WITH A DPAGT1 SELF-PEPTIDE
Descriptor:H-2 class I histocompatibility antigen, K-B alpha chain, DPATG1 antigen SIIVFNLV, ...
Authors:Bai, P., Lei, Y.
Deposit date:2019-03-28
Release date:2020-04-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of H2-Kb in complex with a DPAGT1 self-peptide
To Be Published
6JQ8
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CRYSTAL STRUCTURE OF HDDC FROM YERSINIA PSEUDOTUBERCULOSIS COMPLEXED WITH GMP-PN
Descriptor:Putative 6-deoxy-D-mannoheptose pathway protein, MAGNESIUM ION, AMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Shin, D.H., Kim, M.S.
Deposit date:2019-03-29
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.546 Å)
Cite:Crystal structure of HddC from Yersinia pseudotuberculosis complexed with GMP-PN
To Be Published
6JQ9
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CRYSTAL STRUCTURE OF A LYASE FROM ALTEROMONAS SP.
Descriptor:Short ulvan lyase, CALCIUM ION, SULFATE ION
Authors:Qin, H.M., Guo, Q.Q.
Deposit date:2019-03-29
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structure of a lyase from Alteromonas sp.
to be published
6JQB
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THE STRUCTURE OF MALTOOLIGOSACCHARIDE-FORMING AMYLASE FROM PSEUDOMONAS SACCHAROPHILA STB07 WITH PSEUDO-MALTOHEPTAOSE
Descriptor:Glucan 1,4-alpha-maltotetraohydrolase, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Li, Z.F., Ban, X.F., Zhang, Z.Q., Li, C.M., Gu, Z.B., Jin, T.C., Li, Y.L., Shang, Y.H.
Deposit date:2019-03-30
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.101 Å)
Cite:Structure of maltotetraose-forming amylase from Pseudomonas saccharophila STB07 provides insights into its product specificity.
Int.J.Biol.Macromol., 2019
6JQQ
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KATE H392C FROM ESCHERICHIA COLI
Descriptor:Catalase, PROTOPORPHYRIN IX CONTAINING FE, 1,2-ETHANEDIOL
Authors:Park, J.B., Cho, H.-S.
Deposit date:2019-04-01
Release date:2020-04-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:KatE H392C from Escherichia coli
To Be Published
6JQX
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CRYSTAL STRUCTURE OF A HYDROGENASE FROM TRICHOSPORON MONILIIFORME
Descriptor:Salicylate decarboxylase, 2-HYDROXYBENZOIC ACID, ZINC ION
Authors:Qin, H.M., Chen, X.T.
Deposit date:2019-04-01
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.672 Å)
Cite:Crystal structure of a hydrogenase from Trichosporon moniliiforme
to be published
6JXN
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CRYSTAL STRUCTURE OF INDIGO REDUCTASE FROM BACILLUS SMITHII TYPE STRAIN DSM 4216
Descriptor:FMN-dependent NADH-azoreductase, FLAVIN MONONUCLEOTIDE, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ...
Authors:Yoneda, K., Sakuraba, H., Ohshima, T.
Deposit date:2019-04-24
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal Structure of Indigo reductase involved in the Aidate fermentation of Japanese Aizome (indigo dyeing)
To Be Published
6JXS
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CRYSTAL STRUCTURE OF INDIGO REDUCTASE (Y151F) FROM BACILLUS SMITHII TYPE STRAIN DSM 4216
Descriptor:FMN-dependent NADH-azoreductase, FLAVIN MONONUCLEOTIDE, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL
Authors:Yoneda, K., Sakuraba, H., Ohshima, T.
Deposit date:2019-04-24
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of Indigo reductase involved in the Aidate fermentation of Japanese Aizome (indigo dyeing)
To Be Published
6JYG
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CRYSTAL STRUCTURE OF L-THREONINE DEHYDROGENASE FROM PHYTOPHTHORA INFESTANS
Descriptor:L-threonine 3-dehydrogenase, putative, CITRATE ANION, ...
Authors:Yoneda, K., Sakuraba, H., Ohshima, T.
Deposit date:2019-04-26
Release date:2020-04-01
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal Structure of L-threonine dehydrogenase from Phytophthora infestans.
To Be Published