1G3X
| INTERCALATION OF AN 9ACRIDINE-PEPTIDE DRUG IN A DNA DODECAMER | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION, N(ALPHA)-(9-ACRIDINOYL)-TETRAARGININE-AMIDE | Authors: | Malinina, L, Soler-Lopez, M, Aymami, J, Subirana, J.A. | Deposit date: | 2000-10-25 | Release date: | 2002-08-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Intercalation of an acridine-peptide drug in an AA/TT base step in the crystal structure of [d(CGCGAATTCGCG)](2) with six duplexes and seven Mg(2+) ions in the asymmetric unit. Biochemistry, 41, 2002
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2WP2
| Structure of Brdt bromodomain BD1 bound to a diacetylated histone H4 peptide. | Descriptor: | BROMODOMAIN TESTIS-SPECIFIC PROTEIN, HISTONE H4 | Authors: | Moriniere, J, Rousseaux, S, Steuerwald, U, Soler-Lopez, M, Curtet, S, Vitte, A.-L, Govin, J, Gaucher, J, Sadoul, K, Hart, D.J, Krijgsveld, J, Khochbin, S, Mueller, C.W, Petosa, C. | Deposit date: | 2009-08-02 | Release date: | 2009-09-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Cooperative Binding of Two Acetylation Marks on a Histone Tail by a Single Bromodomain. Nature, 461, 2009
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2WP1
| Structure of Brdt bromodomain 2 bound to an acetylated histone H3 peptide | Descriptor: | BROMODOMAIN TESTIS-SPECIFIC PROTEIN, HISTONE H3 | Authors: | Moriniere, J, Rousseaux, S, Steuerwald, U, Soler-Lopez, M, Curtet, S, Vitte, A.-L, Govin, J, Gaucher, J, Sadoul, K, Hart, D.J, Krijgsveld, J, Khochbin, S, Mueller, C.W, Petosa, C. | Deposit date: | 2009-08-02 | Release date: | 2009-09-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Cooperative Binding of Two Acetylation Marks on a Histone Tail by a Single Bromodomain. Nature, 461, 2009
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8VKT
| Crystallographic structure of dimetalated DapE from Enterococcus faecium | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Probable succinyl-diaminopimelate desuccinylase, ... | Authors: | Gonzalez-Segura, L, Diaz-Vilchis, A, Terrazas-Lopez, M, Diaz-Sanchez, A.G. | Deposit date: | 2024-01-09 | Release date: | 2024-05-29 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.398 Å) | Cite: | The three-dimensional structure of DapE from Enterococcus faecium reveals new insights into DapE/ArgE subfamily ligand specificity. Int.J.Biol.Macromol., 270, 2024
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1UUS
| Structure of an activated Dictyostelium STAT in its DNA-unbound form | Descriptor: | STAT PROTEIN | Authors: | Soler-Lopez, M, Petosa, C, Fukuzawa, M, Ravelli, R, Williams, J.G, Muller, C.W. | Deposit date: | 2004-01-09 | Release date: | 2004-03-26 | Last modified: | 2019-10-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of an Activated Dictyostelium Stat in its DNA-Unbound Form Mol.Cell, 13, 2004
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1UUR
| Structure of an activated Dictyostelium STAT in its DNA-unbound form | Descriptor: | STATA PROTEIN | Authors: | Soler-Lopez, M, Petosa, C, Fukuzawa, M, Ravelli, R, Williams, J.G, Muller, C.W. | Deposit date: | 2004-01-09 | Release date: | 2004-03-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of an Activated Dictyostelium Stat in its DNA-Unbound Form Mol.Cell, 13, 2004
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1W9C
| Proteolytic fragment of CRM1 spanning six C-terminal HEAT repeats | Descriptor: | CRM1 PROTEIN | Authors: | Petosa, C, Schoehn, G, Askjaer, P, Bauer, U, Moulin, M, Steuerwald, U, Soler-Lopez, M, Baudin, F, Mattaj, I.W, Muller, C.W. | Deposit date: | 2004-10-08 | Release date: | 2004-12-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Architecture of Crm1-Exportin 1 Suggests How Cooperativity is Achieved During Formation of a Nuclear Export Complex Mol.Cell, 16, 2004
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1G6D
| STRUCTURE OF PEPTIDYL-D(CGCAATTGCG) IN THE PRESENCE OF ZINC IONS | Descriptor: | PEPTIDYL-D(CGCAATTGCG), ZINC ION | Authors: | Soler-Lopez, M, Malinina, L, Tereshko, V, Zarytova, V, Subirana, J.A. | Deposit date: | 2000-11-04 | Release date: | 2002-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Interaction of zinc ions with d(CGCAATTGCG) in a 2.9 A resolution X-ray structure. J.Biol.Inorg.Chem., 7, 2002
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5W80
| Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-237 | Descriptor: | 3-(3-chlorophenoxy)-1-[(piperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1 | Authors: | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Walker, J.R, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-21 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-237 To be published
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5W9E
| Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186 | Descriptor: | 1-tert-butyl-3-[(3-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 | Authors: | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R. | Deposit date: | 2017-06-23 | Release date: | 2017-08-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186 To be published
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5W8R
| Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI | Descriptor: | 1-tert-butyl-3-[(3-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1 | Authors: | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-22 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI To be published
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5W91
| Toxoplasma Gondii CDPK1 in complex with inhibitor LZH118 | Descriptor: | 1-tert-butyl-N~3~-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine, CALCIUM ION, Calmodulin-domain protein kinase 1 | Authors: | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-22 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Toxoplasma Gondii CDPK1 in complex with inhibitor LZH118 To be published
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5W9R
| Toxoplasma Gondii CDPK1 in complex with inhibitor LJQ138 | Descriptor: | 1-tert-butyl-3-[(1H-indol-3-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 | Authors: | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R. | Deposit date: | 2017-06-23 | Release date: | 2017-08-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Toxoplasma Gondii CDPK1 in complex with inhibitor LJQ138 To be published
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5HCH
| X-ray structure of a lectin-bound DNA duplex containing an unnatural phenanthrenyl pair | Descriptor: | (6S)-2,6-anhydro-1-deoxy-6-(2-{[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-D-galactitol, CALCIUM ION, DNA (5'-D(*CP*GP*CP*AP*TP*TP*(DF)P*TP*AP*TP*CP*GP*C)-3'), ... | Authors: | Roethlisberger, P, Istrate, A, Marcaida Lopez, M.J, Visini, R, Stocker, A, Leumann, C.J. | Deposit date: | 2016-01-04 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | X-ray structure of a lectin-bound DNA duplex containing an unnatural phenanthrenyl pair. Chem.Commun.(Camb.), 52, 2016
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5NXA
| Crystal structure of Neanderthal Adenylosuccinate Lyase (ADSL)in complex with its products AICAR and fumarate | Descriptor: | AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Adenylosuccinate lyase, CHLORIDE ION, ... | Authors: | Van Laer, B, Kapp, U, Soler-Lopez, M, Leonard, G, Mueller-Dieckmann, C. | Deposit date: | 2017-05-09 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular comparison of Neanderthal and Modern Human adenylosuccinate lyase. Sci Rep, 8, 2018
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5M8L
| Crystal structure of human tyrosinase related protein 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lai, X, Soler-Lopez, M, Wichers, H.J, Dijkstra, B.W. | Deposit date: | 2016-10-29 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of Human Tyrosinase Related Protein 1 Reveals a Binuclear Zinc Active Site Important for Melanogenesis. Angew. Chem. Int. Ed. Engl., 56, 2017
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5M8S
| Crystal structure of human tyrosinase related protein 1 mutant (T391V-R374S-Y362F) in complex with phenylthiourea (PTU) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lai, X, Soler-Lopez, M, Wichers, H.J, Dijkstra, B.W. | Deposit date: | 2016-10-29 | Release date: | 2018-01-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Phenylthiourea Binding to Human Tyrosinase-Related Protein 1 Int J Mol Sci, 2020
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5NX8
| Crystal structure of Neanderthal Adenylosuccinate Lyase (ADSL) | Descriptor: | Adenylosuccinate lyase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Van Laer, B, Kapp, U, Soler-Lopez, M, Leonard, G, Mueller-Dieckmann, C. | Deposit date: | 2017-05-09 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular comparison of Neanderthal and Modern Human adenylosuccinate lyase. Sci Rep, 8, 2018
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5NX9
| Crystal structure of Neanderthal Adenylosuccinate Lyase (ADSL) in complex with its products AMP and fumarate | Descriptor: | 2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-6-YLAMINO]-SUCCINIC ACID, ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase, ... | Authors: | Van Laer, B, Kapp, U, Soler-Lopez, M, Leonard, G, Mueller-Dieckmann, C. | Deposit date: | 2017-05-09 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular comparison of Neanderthal and Modern Human adenylosuccinate lyase. Sci Rep, 8, 2018
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5M8R
| Crystal structure of human tyrosinase related protein 1 (T391V-R374S-Y362F) in complex with mimosine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lai, X, Soler-Lopez, M, Wichers, H.J, Dijkstra, B.W. | Deposit date: | 2016-10-29 | Release date: | 2017-07-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of Human Tyrosinase Related Protein 1 Reveals a Binuclear Zinc Active Site Important for Melanogenesis. Angew. Chem. Int. Ed. Engl., 56, 2017
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3EL8
| Crystal structure of c-Src in complex with pyrazolopyrimidine 5 | Descriptor: | 1-{4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea, Proto-oncogene tyrosine-protein kinase Src | Authors: | Dar, A.C, Lopez, M.S, Shokat, K.M. | Deposit date: | 2008-09-20 | Release date: | 2008-10-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Small molecule recognition of c-Src via the Imatinib-binding conformation. Chem.Biol., 15, 2008
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3EP9
| Human AdoMetDC with no putrescine bound | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYRUVIC ACID, S-adenosylmethionine decarboxylase alpha chain, ... | Authors: | Bale, S, Lopez, M.M, Makhatadze, G.I, Fang, Q, Pegg, A.E, Ealick, S.E. | Deposit date: | 2008-09-29 | Release date: | 2008-12-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural Basis for Putrescine Activation of Human S-Adenosylmethionine Decarboxylase. Biochemistry, 47, 2008
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3EP8
| Human AdoMetDC E178Q mutant complexed with S-Adenosylmethionine methyl ester and no putrescine bound | Descriptor: | PYRUVIC ACID, S-ADENOSYLMETHIONINE METHYL ESTER, S-adenosylmethionine decarboxylase alpha chain, ... | Authors: | Bale, S, Lopez, M.M, Makhatadze, G.I, Fang, Q, Pegg, A.E, Ealick, S.E. | Deposit date: | 2008-09-29 | Release date: | 2008-12-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural Basis for Putrescine Activation of Human S-Adenosylmethionine Decarboxylase. Biochemistry, 47, 2008
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3EP5
| Human AdoMetDC E178Q mutant with no putrescine bound | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYRUVIC ACID, S-adenosylmethionine decarboxylase alpha chain, ... | Authors: | Bale, S, Lopez, M.M, Makhatadze, G.I, Fang, Q, Pegg, A.E, Ealick, S.E. | Deposit date: | 2008-09-29 | Release date: | 2008-12-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural Basis for Putrescine Activation of Human S-Adenosylmethionine Decarboxylase. Biochemistry, 47, 2008
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3EP7
| Human AdoMetDC E256Q mutant complexed with S-Adenosylmethionine methyl ester and no putrescine bound | Descriptor: | PYRUVIC ACID, S-ADENOSYLMETHIONINE METHYL ESTER, S-adenosylmethionine decarboxylase alpha chain, ... | Authors: | Bale, S, Lopez, M.M, Makhatadze, G.I, Fang, Q, Pegg, A.E, Ealick, S.E. | Deposit date: | 2008-09-29 | Release date: | 2008-12-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Putrescine Activation of Human S-Adenosylmethionine Decarboxylase. Biochemistry, 47, 2008
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