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1KQZ
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BU of 1kqz by Molmil
Hevamine Mutant D125A/E127A/Y183F in Complex with Tetra-NAG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hevamine A
Authors:Rozeboom, H.J, Dijkstra, B.W.
Deposit date:2002-01-08
Release date:2002-01-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Expression and Characterization of Active Site Mutants of Hevamine, a Chitinase from the Rubber Tree Hevea brasiliensis.
Eur.J.Biochem., 269, 2002
5LSU
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BU of 5lsu by Molmil
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
Descriptor: Histone-lysine N-methyltransferase NSD2, S-ADENOSYLMETHIONINE, ZINC ION
Authors:Tisi, D, Pathuri, P, Heightman, T.
Deposit date:2016-09-05
Release date:2016-10-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
6F4N
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BU of 6f4n by Molmil
Human JMJD5 in complex with MN and 2OG.
Descriptor: 2-OXOGLUTARIC ACID, JmjC domain-containing protein 5, MANGANESE (II) ION
Authors:Chowdhury, R, Islam, M.S, Schofield, C.J.
Deposit date:2017-11-29
Release date:2018-04-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.541 Å)
Cite:JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 2018
9EXX
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BU of 9exx by Molmil
Crystal structure of the PWWP1 domain of NSD2 bound by compound 18.
Descriptor: 1,2-ETHANEDIOL, 4-methyl-3-[1-methyl-5-(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)imidazol-4-yl]-~{N}-phenyl-benzamide, ETHANOL, ...
Authors:Collie, G.W.
Deposit date:2024-04-09
Release date:2024-05-29
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.943 Å)
Cite:Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches.
J.Med.Chem., 67, 2024
9EXY
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BU of 9exy by Molmil
Crystal structure of the PWWP1 domain of NSD2 bound by compound 34.
Descriptor: 7-[5-methyl-3-[2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1,2-oxazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, Histone-lysine N-methyltransferase NSD2
Authors:Collie, G.W.
Deposit date:2024-04-09
Release date:2024-05-29
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches.
J.Med.Chem., 67, 2024
9EXW
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BU of 9exw by Molmil
Crystal structure of the PWWP1 domain of NSD2 bound by compound 17.
Descriptor: 1,2-ETHANEDIOL, 7-[3-methyl-5-[2-methyl-5-[(pyridin-3-ylamino)methyl]phenyl]imidazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, Histone-lysine N-methyltransferase NSD2
Authors:Collie, G.W.
Deposit date:2024-04-09
Release date:2024-05-29
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches.
J.Med.Chem., 67, 2024
2X47
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BU of 2x47 by Molmil
Crystal structure of human MACROD1
Descriptor: MACRO DOMAIN-CONTAINING PROTEIN 1, SULFATE ION
Authors:Vollmar, M, Phillips, C, Mehrotra, P.V, Ahel, I, Krojer, T, Yue, W, Ugochukwu, E, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Gileadi, O.
Deposit date:2010-01-28
Release date:2010-03-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification of Macro Domain Proteins as Novel O-Acetyl-Adp-Ribose Deacetylases.
J.Biol.Chem., 286, 2011
3WE9
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BU of 3we9 by Molmil
The crystal structure of YisP from Bacillus subtilis subsp. subtilis strain 168
Descriptor: Putative phytoene/squalene synthase YisP, TRIETHYLENE GLYCOL
Authors:Hu, Y, Huang, C.H, Chan, H.C, Ko, T.P, Feng, X, Oldfield, E, Guo, R.T.
Deposit date:2013-07-02
Release date:2014-07-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structure of Bacillus subtilis YisP in complex with a PEG fragment
To be Published
3WVJ
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BU of 3wvj by Molmil
The crystal structure of native glycosidic hydrolase
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucanase
Authors:Chen, C.C, Huang, J.W, Zhao, P, Ko, T.P, Huang, C.H, Chan, H.C, Huang, Z, Liu, W, Cheng, Y.S, Liu, J.R, Guo, R.T.
Deposit date:2014-05-22
Release date:2015-06-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural analyses and yeast production of the beta-1,3-1,4-glucanase catalytic module encoded by the licB gene of Clostridium thermocellum.
Enzyme.Microb.Technol., 71, 2015
2WWU
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BU of 2wwu by Molmil
Crystal structure of the catalytic domain of PHD finger protein 8
Descriptor: ACETATE ION, NICKEL (II) ION, PHD FINGER PROTEIN 8, ...
Authors:Yue, W.W, Hozjan, V, Cooper, C, Tumber, A, Krojer, T, Muniz, J, Allerston, C, Salah, E, McDonough, M.A, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Schofield, C.J, Kavanagh, K.L, Oppermann, U.
Deposit date:2009-10-29
Release date:2009-11-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of the PHF8 Jumonji domain, an Nepsilon-methyl lysine demethylase.
FEBS Lett., 584, 2010
4LE4
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BU of 4le4 by Molmil
Crystal structure of PaGluc131A with cellotriose
Descriptor: Beta-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Jiang, T, Chan, H.C, Huang, C.H, Ko, T.P, Huang, T.Y, Liu, J.R, Guo, R.T.
Deposit date:2013-06-25
Release date:2013-09-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of a GH131 beta-Glucanase Catalytic Domain from Podospora anserina in Complex with Cellotriose
To be Published
3UI2
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BU of 3ui2 by Molmil
Crystal structure of the cpSRP54 tail bound to cpSRP43
Descriptor: Signal recognition particle 43 kDa protein, chloroplastic, Signal recognition particle 54 kDa protein
Authors:Holdermann, I, Wild, K, Sinning, I.
Deposit date:2011-11-04
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.178 Å)
Cite:Chromodomains read the arginine code of post-translational targeting.
Nat.Struct.Mol.Biol., 19, 2012
4LE3
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BU of 4le3 by Molmil
Crystal structure of a GH131 beta-glucanase catalytic domain from Podospora anserina
Descriptor: Beta-glucanase
Authors:Jiang, T, Chan, H.C, Huang, C.H, Ko, T.P, Huang, T.Y, Liu, J.R, Guo, R.T.
Deposit date:2013-06-25
Release date:2013-09-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of a GH131 beta-Glucanase Catalytic Domain from Podospora anserina in Complex with Cellotriose
To be Published
2XD7
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BU of 2xd7 by Molmil
Crystal structure of the macro domain of human core histone H2A
Descriptor: CORE HISTONE MACRO-H2A.2
Authors:Vollmar, M, Phillips, C, Carpenter, E.P, Muniz, J.R.C, Krojer, T, Ugochukwu, E, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Gileadi, O.
Deposit date:2010-04-29
Release date:2010-05-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal Structure of the Macro Domain of Human Core Histone H2A
To be Published
4NI2
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BU of 4ni2 by Molmil
Crystal structure of the heterodimeric catalytic domain of wild-type human soluble guanylate cyclase
Descriptor: 1,2-ETHANEDIOL, Guanylate cyclase soluble subunit alpha-3, Guanylate cyclase soluble subunit beta-1
Authors:Seeger, F, Williams, G.J, Tainer, J.A, Garcin, E.D.
Deposit date:2013-11-05
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Interfacial residues promote an optimal alignment of the catalytic center in human soluble guanylate cyclase: heterodimerization is required but not sufficient for activity.
Biochemistry, 53, 2014
2WYA
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BU of 2wya by Molmil
CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL 3-HYDROXY-3-METHYLGLUTARYL- COENZYME A SYNTHASE 2 (HMGCS2)
Descriptor: 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, GLYCEROL, HYDROXYMETHYLGLUTARYL-COA SYNTHASE, ...
Authors:Yue, W.W, Shafqat, N, Savitsky, P, Roos, A.K, Cooper, C, Murray, J.W, von Delft, F, Arrowsmith, C, Wikstrom, M, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2009-11-13
Release date:2009-11-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structures of Human Hmg-Coa Synthase Isoforms Provide Insights Into Inherited Ketogenesis Disorders and Inhibitor Design.
J.Mol.Biol., 398, 2010
4NTD
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BU of 4ntd by Molmil
Crystal structure of HlmI
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE, ...
Authors:Scharf, D.H, Groll, M, Habel, A, Heinekamp, T, Hertweck, C, Brakhage, A.A, Huber, E.M.
Deposit date:2013-12-02
Release date:2014-03-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Flavoenzyme-Catalyzed Formation of Disulfide Bonds in Natural Products
Angew.Chem.Int.Ed.Engl., 53, 2014
3UVJ
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BU of 3uvj by Molmil
Crystal structure of the catalytic domain of the heterodimeric human soluble guanylate cyclase 1.
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Guanylate cyclase soluble subunit alpha-3, ...
Authors:Allerston, C.K, Berridge, G, Chalk, R, Cooper, C.D.O, Savitsky, P, Vollmar, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2011-11-30
Release date:2011-12-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structures of the catalytic domain of human soluble guanylate cyclase.
Plos One, 8, 2013
1SSU
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BU of 1ssu by Molmil
Structural and biochemical evidence for disulfide bond heterogeneity in active forms of the somatomedin B domain of human vitronectin
Descriptor: Vitronectin
Authors:Kamikubo, Y, De Guzman, R, Kroon, G, Curriden, S, Neels, J.G, Churchill, M.J, Dawson, P, Oldziej, S, Jagielska, A, Scheraga, H.A, Loskutoff, D.J, Dyson, H.J.
Deposit date:2004-03-24
Release date:2004-07-27
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Disulfide bonding arrangements in active forms of the somatomedin B domain of human vitronectin.
Biochemistry, 43, 2004
3R9U
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BU of 3r9u by Molmil
Thioredoxin-disulfide reductase from Campylobacter jejuni.
Descriptor: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin reductase
Authors:Osipiuk, J, Zhou, M, Kwon, K, Anderson, K.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-03-25
Release date:2011-04-06
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Thioredoxin-disulfide reductase from Campylobacter jejuni.
To be Published
3S32
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BU of 3s32 by Molmil
Crystal structure of Ash2L N-terminal domain
Descriptor: Set1/Ash2 histone methyltransferase complex subunit ASH2, ZINC ION
Authors:Sarvan, S, Avdic, V, Tremblay, V, Chaturvedi, C.-P, Zhang, P, Lanouette, S, Blais, A, Brunzelle, J.S, Brand, M, Couture, J.-F.
Deposit date:2011-05-17
Release date:2011-06-08
Last modified:2012-01-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of the trithorax group protein ASH2L reveals a forkhead-like DNA binding domain.
Nat.Struct.Mol.Biol., 18, 2011
1XU6
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BU of 1xu6 by Molmil
Structure of the C-terminal domain from Trypanosoma brucei Variant Surface Glycoprotein MITat1.2
Descriptor: Variant surface glycoprotein MITAT 1.2
Authors:Chattopadhyay, A, Jones, N.G, Nietlispach, D, Nielsen, P.R, Voorheis, H.P, Mott, H.R, Carrington, M.
Deposit date:2004-10-25
Release date:2004-11-30
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structure of the C-terminal domain from Trypanosoma brucei variant surface glycoprotein MITat1.2
J.Biol.Chem., 280, 2004
3TY1
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BU of 3ty1 by Molmil
Crystal structure of a putative aldose 1-epimerase (KPN_04629) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 1.90 A resolution
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-09-23
Release date:2011-12-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a Hypothetical aldose 1-epimerase (KPN_04629) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 1.90 A resolution
To be published
1ZJR
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BU of 1zjr by Molmil
Crystal Structure of A. aeolicus TrmH/SpoU tRNA modifying enzyme
Descriptor: GLYCEROL, SULFATE ION, tRNA (Guanosine-2'-O-)-methyltransferase
Authors:Pleshe, E, Truesdell, J, Batey, R.T.
Deposit date:2005-04-30
Release date:2005-08-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of a class II TrmH tRNA-modifying enzyme from Aquifex aeolicus.
Acta Crystallogr.,Sect.F, 61, 2005
2MSR
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BU of 2msr by Molmil
Solution structure of LEDGF/p75 IBD in complex with MLL1 peptide (140-160)
Descriptor: Histone-lysine N-methyltransferase 2A, PC4 and SFRS1-interacting protein
Authors:Cermakova, K, Tesina, P, Demeulemeester, J, El Ashkar, S, Mereau, H, Schwaller, J, Rezacova, P, Veverka, V, De Rijck, J.
Deposit date:2014-08-05
Release date:2014-08-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Validation and Structural Characterization of the LEDGF/p75-MLL Interface as a New Target for the Treatment of MLL-Dependent Leukemia.
Cancer Res., 74, 2014

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