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4I6S
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BU of 4i6s by Molmil
Structure of RSL mutant W76A in complex with L-fucose
Descriptor: 1,2-ETHANEDIOL, Putative fucose-binding lectin protein, TETRAETHYLENE GLYCOL, ...
Authors:Audfray, A, Arnaud, J, Varrot, A, Imberty, A.
Deposit date:2012-11-30
Release date:2013-07-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Reduction of lectin valency drastically changes glycolipid dynamics in membranes but not surface avidity
Acs Chem.Biol., 8, 2013
3AJG
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BU of 3ajg by Molmil
Crystal structure of PcyA V225D-biliverdin IX alpha complex
Descriptor: BILIVERDINE IX ALPHA, Phycocyanobilin:ferredoxin oxidoreductase
Authors:Wada, K, Hagiwara, Y, Fukuyama, K.
Deposit date:2010-06-05
Release date:2011-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:One residue substitution in PcyA leads to unexpected changes in tetrapyrrole substrate binding.
Biochem.Biophys.Res.Commun., 402, 2010
5QQA
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BU of 5qqa by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000648a
Descriptor: ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ...
Authors:Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W.
Deposit date:2019-03-12
Release date:2020-04-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
4HOQ
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BU of 4hoq by Molmil
Crystal Structure of Full-Length Human IFIT5
Descriptor: Interferon-induced protein with tetratricopeptide repeats 5
Authors:Abbas, Y.M, Pichlmair, A, Gorna, M.W, Superti-Furga, G, Nagar, B.
Deposit date:2012-10-22
Release date:2013-01-23
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural basis for viral 5'-PPP-RNA recognition by human IFIT proteins.
Nature, 494, 2013
1FT6
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BU of 1ft6 by Molmil
REDUCED STATE OF CYTOCHROME C554 FROM NITROSOMONAS EUROPAEA
Descriptor: CYTOCHROME C554, DITHIONITE, HEME C, ...
Authors:Iverson, T.M, Arciero, D.M, Hooper, A.B, Rees, D.C.
Deposit date:2000-09-11
Release date:2000-09-20
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution structures of the oxidized and reduced states of cytochrome c554 from Nitrosomonas europaea.
J.Biol.Inorg.Chem., 6, 2001
3AJH
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BU of 3ajh by Molmil
Crystal structure of PcyA V225D-biliverdin XIII alpha complex
Descriptor: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methy l]-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Phycocyanobilin:ferredoxin oxidoreductase
Authors:Wada, K, Hagiwara, Y, Fukuyama, K.
Deposit date:2010-06-05
Release date:2011-03-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:One residue substitution in PcyA leads to unexpected changes in tetrapyrrole substrate binding.
Biochem.Biophys.Res.Commun., 402, 2010
2JSK
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BU of 2jsk by Molmil
Monomeric Human Telomere DNA Tetraplex with 3+1 Strand Fold Topology, Two Edgewise Loops and Double-Chain Reversal Loop, 16 G Form 1, NMR, 10 Structures
Descriptor: HUMAN TELOMERE DNA
Authors:Kuryavyi, V.V, Phan, A.T, Luu, K.N, Patel, D.J.
Deposit date:2007-07-07
Release date:2008-07-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of two intramolecular G-quadruplexes formed by natural human telomere sequences in K+ solution.
Nucleic Acids Res., 35, 2007
2NPV
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BU of 2npv by Molmil
Structure and dynamics of surfactin studied by NMR in micellar media
Descriptor: (R)-3-HYDROXYTETRADECANAL, ELLVDLL
Authors:Tsan, P, Volpon, L, Lancelin, J.M.
Deposit date:2006-10-30
Release date:2006-11-28
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structure and dynamics of surfactin studied by NMR in micellar media
J.Am.Chem.Soc., 129, 2007
3W6O
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BU of 3w6o by Molmil
Crystal structure of human Dlp1 in complex with GMP-PCP
Descriptor: CALCIUM ION, Dynamin-1-like protein, MAGNESIUM ION, ...
Authors:Kishida, H, Sugio, S.
Deposit date:2013-02-17
Release date:2014-02-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of GTPase domain fused with minimal stalks from human dynamin-1-like protein (Dlp1) in complex with several nucleotide analogues
CURR TOP PEPT PROTEIN RES., 14, 2013
5QBH
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BU of 5qbh by Molmil
Crystal structure of Endothiapepsin-FRG270 complex
Descriptor: 2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetrahydrofuran-2-yl]-N-(pyridin-2-ylmethyl)acetamide, ACETATE ION, Endothiapepsin, ...
Authors:Huschmann, F.
Deposit date:2017-08-04
Release date:2020-04-22
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.469 Å)
Cite:Crystal structure of Endothiapepsin
To be published
5QBU
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BU of 5qbu by Molmil
Crystal structure of human Cathepsin-S with bound ligand
Descriptor: 1-[1-(3-{5-(1H-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl)piperidin-4-yl]-3-methyl-1,3-dihydro-2H-benzimidazol-2-one, Cathepsin S
Authors:Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
5QC5
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BU of 5qc5 by Molmil
Crystal structure of human Cathepsin-S with bound ligand
Descriptor: 1-[5-{1-[3-(4-tert-butylpiperidin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]-N-[(4-fluorophenyl)methyl]methanamine, Cathepsin S
Authors:Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
1JP3
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BU of 1jp3 by Molmil
Structure of E.coli undecaprenyl pyrophosphate synthase
Descriptor: 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, undecaprenyl pyrophosphate synthase
Authors:Ko, T.P, Chen, Y.K, Robinson, H, Tsai, P.C, Gao, Y.G, Chen, A.P.C, Wang, A.H.J, Liang, P.H.
Deposit date:2001-07-31
Release date:2001-08-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanism of product chain length determination and the role of a flexible loop in Escherichia coli undecaprenyl-pyrophosphate synthase catalysis.
J.Biol.Chem., 276, 2001
3D42
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BU of 3d42 by Molmil
Crystal structure of HePTP in complex with a monophosphorylated Erk2 peptide
Descriptor: D(-)-TARTARIC ACID, GLYCEROL, Mitogen-activated protein kinase 1 peptide, ...
Authors:Critton, D.A, Tortajada, A, Page, R.
Deposit date:2008-05-13
Release date:2009-03-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structural basis of substrate recognition by hematopoietic tyrosine phosphatase.
Biochemistry, 47, 2008
2JSQ
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BU of 2jsq by Molmil
Monomeric Human Telomere DNA Tetraplex with 3+1 Strand Fold Topology, Two Edgewise Loops and Double-Chain Reversal Loop, Form 2 15BrG, NMR, 10 Structures
Descriptor: HUMAN TELOMERE DNA
Authors:Kuryavyi, V.V, Phan, A.T, Luu, K.N, Patel, D.J.
Deposit date:2007-07-11
Release date:2008-07-15
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of two intramolecular G-quadruplexes formed by natural human telomere sequences in K+ solution.
Nucleic Acids Res., 35, 2007
8Q23
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BU of 8q23 by Molmil
HsNMT1 in complex with both MyrCoA and Ac-D-ORN-SFSKPR inhibitor peptide
Descriptor: ACE-ORD-SER-PHE-SER-LYS-PRO-ARG, CHLORIDE ION, GLYCEROL, ...
Authors:Dian, C, Giglione, C, Meinnel, T.
Deposit date:2023-08-01
Release date:2024-08-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:HsNMT1 in complex with both MyrCoA and Ac-D-ORN-SFSKPR inhibitor peptide
to be published
5QQ7
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BU of 5qq7 by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000562a
Descriptor: ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ...
Authors:Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W.
Deposit date:2019-03-12
Release date:2020-04-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
8Q24
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BU of 8q24 by Molmil
HsNMT1 in complex with both MyrCoA and (DAB)SFSKPR inhibitor peptide
Descriptor: CHLORIDE ION, DAB-SER-PHE-SER-LYS-PRO-ARG, GLYCEROL, ...
Authors:Dian, C, Giglione, C, Meinnel, T.
Deposit date:2023-08-01
Release date:2024-08-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:HsNMT1 in complex with both MyrCoA and Dab-SFSKPR inhibitor peptide
to be published
3APU
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BU of 3apu by Molmil
Crystal structure of the A variant of human alpha1-acid glycoprotein
Descriptor: Alpha-1-acid glycoprotein 2, TETRAETHYLENE GLYCOL
Authors:Nishi, K, Ono, T, Nakamura, T, Fukunaga, N, Izumi, M, Watanabe, H, Suenaga, A, Maruyama, T, Yamagata, Y, Curry, S, Otagiri, M.
Deposit date:2010-10-21
Release date:2011-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into differences in drug-binding selectivity between two forms of human alpha1-acid glycoprotein genetic variants, the A and F1*S forms.
J. Biol. Chem., 286, 2011
2NP9
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BU of 2np9 by Molmil
Crystal structure of a dioxygenase in the Crotonase superfamily
Descriptor: DpgC, OXYGEN MOLECULE, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-4-({3-[(2-{[(3,5-DIHYDROXYPHENYL)ACETYL]AMINO}ETHYL)AMINO]-3-OXOPROPYL}AMINO)-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE
Authors:Bruner, S.D, Widboom, P.F, Fielding, E.N.
Deposit date:2006-10-26
Release date:2007-05-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural basis for cofactor-independent dioxygenation in vancomycin biosynthesis.
Nature, 447, 2007
3AR8
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BU of 3ar8 by Molmil
Calcium pump crystal structure with bound AlF4, TNP-AMP and TG
Descriptor: 2',3'-O-[(1r)-2,4,6-trinitrocyclohexa-2,5-diene-1,1-diyl]adenosine 5'-(dihydrogen phosphate), MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ...
Authors:Toyoshima, C, Yonekura, S, Tsueda, J, Iwasawa, S.
Deposit date:2010-11-24
Release date:2011-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Trinitrophenyl derivatives bind differently from parent adenine nucleotides to Ca2+-ATPase in the absence of Ca2+
Proc.Natl.Acad.Sci.USA, 108, 2011
4HOS
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BU of 4hos by Molmil
Crystal Structure of Full-Length Human IFIT5 with 5`-triphosphate Oligouridine
Descriptor: Interferon-induced protein with tetratricopeptide repeats 5, RNA (5'-R(*(UTP)P*UP*UP*U)-3'), SODIUM ION
Authors:Abbas, Y.M, Pichlmair, A, Gorna, M.W, Superti-Furga, G, Nagar, B.
Deposit date:2012-10-22
Release date:2013-01-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for viral 5'-PPP-RNA recognition by human IFIT proteins.
Nature, 494, 2013
3CMU
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BU of 3cmu by Molmil
Mechanism of homologous recombination from the RecA-ssDNA/dsDNA structures
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DT)-3'), MAGNESIUM ION, ...
Authors:Pavletich, N.P.
Deposit date:2008-03-24
Release date:2008-05-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Mechanism of homologous recombination from the RecA-ssDNA/dsDNA structures.
Nature, 453, 2008
2NEO
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BU of 2neo by Molmil
SOLUTION NMR STRUCTURE OF A TWO-BASE DNA BULGE COMPLEXED WITH AN ENEDIYNE CLEAVING ANALOG, 11 STRUCTURES
Descriptor: DNA (5'-D(*CP*CP*CP*GP*AP*TP*GP*CP*PGE*GP*CP*AP*AP*TP*TP*CP*GP*GP*G)-3'), SPIRO[[7-METHOXY-5-METHYL-1,2-DIHYDRO-NAPHTHALENE]-3,1'-[5-HYDROXY-9-[2-METHYLAMINO-2,6-DIDEOXYGALACTOPYRANOSYL-OXY]-5-(2-OXO-[1,3]DIOXOLAN-4-YL)-3A,5,9,9A-TETRAHYDRO-3H-1-OXA-CYCLOPENTA[A]-S-INDACEN-2-ONE]]
Authors:Stassinopoulos, A, Ji, J, Gao, X, Goldberg, I.H.
Deposit date:1997-06-19
Release date:1998-01-28
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of a two-base DNA bulge complexed with an enediyne cleaving analog.
Science, 272, 1996
2JLB
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BU of 2jlb by Molmil
Xanthomonas campestris putative OGT (XCC0866), complex with UDP- GlcNAc phosphonate analogue
Descriptor: CHLORIDE ION, MANGANESE (II) ION, URIDINE-DIPHOSPHATE-METHYLENE-N-ACETYL-GLUCOSAMINE, ...
Authors:Schuettelkopf, A.W, Clarke, A.J, van Aalten, D.M.F.
Deposit date:2008-09-07
Release date:2008-11-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights Into Mechanism and Specificity of O-Glcnac Transferase.
Embo J., 27, 2008

223790

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