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3QII
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BU of 3qii by Molmil
Crystal structure of tudor domain 2 of human PHD finger protein 20
Descriptor: PHD finger protein 20, UNKNOWN ATOM OR ION
Authors:Li, Z, Tempel, W, Wernimont, A.K, Chao, X, Bian, C, Lam, R, Crombet, L, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2011-01-27
Release date:2011-02-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of the Tudor domains of human PHF20 reveal novel structural variations on the Royal Family of proteins.
Febs Lett., 586, 2012
1NXJ
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BU of 1nxj by Molmil
Structure of Rv3853 from Mycobacterium tuberculosis
Descriptor: GLYOXYLIC ACID, L(+)-TARTARIC ACID, Probable S-adenosylmethionine:2-demethylmenaquinone methyltransferase
Authors:Johnston, J.M, Arcus, V.L, Baker, E.N, TB Structural Genomics Consortium (TBSGC)
Deposit date:2003-02-10
Release date:2003-07-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of a Putative Methyltransferase from Mycobacterium tuberculosis: Misannotation of a Genome Clarified by Protein Structural Analysis
J.Bacteriol., 185, 2003
5CW8
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BU of 5cw8 by Molmil
Crystal structure of Mycobacterium tuberculosis KstR in complex with 3-oxo-4-cholesten-26-oyl-CoA
Descriptor: HTH-type transcriptional repressor KstR, S-{1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,7-dihydroxy-6,6-dimethyl-3-oxido-8,12 -dioxo-2,4-dioxa-9,13-diaza-3lambda~5~-phosphapentadecan-15-yl} (2S,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta [a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name), TRIETHYLENE GLYCOL
Authors:Ho, N.A.T, Dawes, S, Kendall, S, Casabon, I, Crowe, A.M, Baker, E.N, Eltis, L.D, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-07-27
Release date:2016-02-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Structure of the Transcriptional Repressor KstR in Complex with CoA Thioester Cholesterol Metabolites Sheds Light on the Regulation of Cholesterol Catabolism in Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016
5CXG
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BU of 5cxg by Molmil
Crystal structure of Mycobacterium tuberculosis KstR in complex with PEG
Descriptor: DI(HYDROXYETHYL)ETHER, HTH-type transcriptional repressor KstR, TRIETHYLENE GLYCOL
Authors:Ho, N.A.T, Dawes, S, Kendall, S, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-07-28
Release date:2016-02-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1001 Å)
Cite:The Structure of the Transcriptional Repressor KstR in Complex with CoA Thioester Cholesterol Metabolites Sheds Light on the Regulation of Cholesterol Catabolism in Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016
5CXI
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BU of 5cxi by Molmil
Crystal structure of Mycobacterium tuberculosis KstR in complex with 3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA (4-BNC-CoA)
Descriptor: 3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA, HTH-type transcriptional repressor KstR
Authors:Ho, N.A.T, Dawes, S, Kendall, S, Casabon, I, Crowe, A.M, Baker, E.N, Eltis, L.D, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-07-29
Release date:2016-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Structure of the Transcriptional Repressor KstR in Complex with CoA Thioester Cholesterol Metabolites Sheds Light on the Regulation of Cholesterol Catabolism in Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016
3KUL
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BU of 3kul by Molmil
Kinase domain of human ephrin type-A receptor 8 (EPHA8)
Descriptor: BETA-MERCAPTOETHANOL, Ephrin type-A receptor 8, GLYCEROL, ...
Authors:Walker, J.R, Yermekbayeva, L, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2009-11-27
Release date:2009-12-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Kinase Domain of Human Ephrin Type-A Receptor 8 (Epha8)
To be Published
4ZRA
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BU of 4zra by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS LPRG BINDING TO TRIACYLGLYCERIDE
Descriptor: Lipoprotein LprG, Tripalmitoylglycerol
Authors:Martinot, A.J, Farrow, M, Bai, L, Layre, E, Cheng, T.Y, Tsai, J.H.C, Iqbal, J, Annand, J, Sullivan, Z, Hussain, M, Sacchettini, J, Moody, D.B, Seeliger, J, Rubin, E.J, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-05-12
Release date:2016-02-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Mycobacterial Metabolic Syndrome: LprG and Rv1410 Regulate Triacylglyceride Levels, Growth Rate and Virulence in Mycobacterium tuberculosis.
Plos Pathog., 12, 2016
2FU0
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BU of 2fu0 by Molmil
Plasmodium falciparum cyclophilin PFE0505w putative cyclosporin-binding domain
Descriptor: cyclophilin, putative
Authors:Dong, A, Lew, J, Sundararajan, E, Zhao, Y, Wasney, G, Vedadi, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2006-01-25
Release date:2006-02-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
3SO8
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BU of 3so8 by Molmil
Crystal Structure of ANKRA
Descriptor: Ankyrin repeat family A protein 2
Authors:Xu, C, Bochkarev, A, Bian, C.B, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2011-06-30
Release date:2011-10-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sequence-Specific Recognition of a PxLPxI/L Motif by an Ankyrin Repeat Tumbler Lock.
Sci.Signal., 5, 2012
3FO5
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BU of 3fo5 by Molmil
Human START domain of Acyl-coenzyme A thioesterase 11 (ACOT11)
Descriptor: 3,3',3''-phosphanetriyltripropanoic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Siponen, M.I, Lehtio, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Thorsell, A.G, Tresaugues, L, Van-Den-Berg, S, Weigelt, J, Welin, M, Wikstrom, M, Wisniewska, M, Shueler, H, Structural Genomics Consortium (SGC)
Deposit date:2008-12-27
Release date:2009-02-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Comparative structural analysis of lipid binding START domains.
Plos One, 6, 2011
6BU1
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BU of 6bu1 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Br-3-OH-phenyldiketoacid
Descriptor: (2Z)-4-(2-bromo-3-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2017-12-08
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.584 Å)
Cite:Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
4ZTV
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BU of 4ztv by Molmil
Non-anthranilate-like inhibitor (TAMU-A7) complexed with anthranilate phosphoribosyltransferase (trpD) from Mycobacterium tuberculosis in absence of PRPP
Descriptor: 4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione, Anthranilate phosphoribosyltransferase
Authors:Evans, G.L, Eom, J, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-05-15
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Bioactive non-anthranilate-like fragment-like inhibitor provides alternative starting point for inhibitor design against anthranilate phosphoribosyl transferase from Mycobacterium tuberculosis.
To be Published
3SX0
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BU of 3sx0 by Molmil
Crystal structure of Dot1l in complex with a brominated SAH analog
Descriptor: (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name), Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Yu, W, Tempel, W, Smil, D, Schapira, M, Li, Y, Vedadi, M, Nguyen, K.T, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2011-07-14
Release date:2011-07-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Bromo-deaza-SAH: a potent and selective DOT1L inhibitor.
Bioorg. Med. Chem., 21, 2013
2H66
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BU of 2h66 by Molmil
The Crystal Structure of Plasmodium Vivax 2-Cys peroxiredoxin
Descriptor: PV-PF14_0368
Authors:Wernimont, A.K, Dong, A, Zhao, Y, Lew, J, Melone, M, Kozieradzki, I, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC)
Deposit date:2006-05-30
Release date:2006-06-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
3SOG
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BU of 3sog by Molmil
Crystal structure of the BAR domain of human Amphiphysin, isoform 1
Descriptor: 1,2-ETHANEDIOL, Amphiphysin, POTASSIUM ION
Authors:Allerston, C.K, Krojer, T, Chaikuad, A, Cooper, C.D.O, Berridge, G, Savitsky, P, Vollmar, M, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2011-06-30
Release date:2011-07-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:

3SOM
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BU of 3som by Molmil
crystal structure of human MMACHC
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, 5'-DEOXYADENOSINE, ...
Authors:Krojer, T, Froese, D.S, von Delft, F, Muniz, J.R, Gileadi, C, Vollmar, M, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Gravel, R.A, Yue, W.W, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2011-06-30
Release date:2011-07-27
Last modified:2015-04-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of MMACHC reveals an arginine-rich pocket and a domain-swapped dimer for its B12 processing function.
Biochemistry, 51, 2012
2FO3
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BU of 2fo3 by Molmil
Plasmodium vivax ubiquitin conjugating enzyme E2
Descriptor: Ubiquitin-conjugating enzyme
Authors:Dong, A, Zhao, Y, Lew, J, Kozieradski, I, Alam, Z, Melone, M, Wasney, G, Vedadi, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Hui, R, Bochkarev, A, Qiu, W, Structural Genomics Consortium (SGC)
Deposit date:2006-01-12
Release date:2006-01-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
5VC9
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BU of 5vc9 by Molmil
Zinc finger of human CXXC4 in complex with CpG DNA
Descriptor: CXXC-type zinc finger protein 4, CpG DNA, UNKNOWN ATOM OR ION, ...
Authors:Liu, K, Xu, C, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2017-03-31
Release date:2017-06-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
5UKF
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BU of 5ukf by Molmil
Crystal Structure of the Human Vaccinia-related Kinase 1 Bound to an Oxindole Inhibitor
Descriptor: 4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Counago, R.M, Wells, C, Zuercher, W, Willson, T.M, Bountra, C, Edwards, A.M, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2017-01-22
Release date:2017-03-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations.
Sci Rep, 7, 2017
5UVF
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BU of 5uvf by Molmil
Crystal Structure of the Human vaccinia-related kinase bound to BI-D1870
Descriptor: (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Counago, R.M, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2017-02-20
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations.
Sci Rep, 7, 2017
2H2Y
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BU of 2h2y by Molmil
Crystal structure of ubiquitin conjugating enzyme E2 from plasmodium falciparum
Descriptor: Ubiquitin-conjugating enzyme
Authors:Qiu, W, Dong, A, Zhao, Y, Lew, J, Kozieradski, I, Sundararajan, E, Melone, M, Wasney, G, Vedadi, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC)
Deposit date:2006-05-19
Release date:2006-06-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
3QIJ
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BU of 3qij by Molmil
Primitive-monoclinic crystal structure of the FERM domain of protein 4.1R
Descriptor: Protein 4.1, UNKNOWN ATOM OR ION
Authors:Nedyalkova, L, Zhong, N, Tong, Y, Tempel, W, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2011-01-27
Release date:2011-02-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Primitive-monoclinic crystal structure of the FERM domain of protein 4.1R
to be published
5UU1
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BU of 5uu1 by Molmil
Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to BI-D1870
Descriptor: (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase VRK2
Authors:Counago, R.M, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2017-02-15
Release date:2017-03-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations.
Sci Rep, 7, 2017
3TLP
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BU of 3tlp by Molmil
Crystal structure of the fourth bromodomain of human poly-bromodomain containing protein 1 (PB1)
Descriptor: NICKEL (II) ION, Protein polybromo-1
Authors:Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Krojer, T, Allerston, C.K, Latwiel, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-08-30
Release date:2011-09-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3U67
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BU of 3u67 by Molmil
Crystal structure of the N-terminal domain of Hsp90 from Leishmania major(LmjF33.0312)in complex with ADP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 83-1, ...
Authors:Pizarro, J.C, Wernimont, A.K, Hutchinson, A, Mackenzie, F, Fairlamb, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2011-10-12
Release date:2012-05-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design.
PLoS Negl Trop Dis, 7, 2013

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