3N32
 
 | | The crystal structure of human Ubiquitin adduct with Zeise's salt | | Descriptor: | PLATINUM (II) ION, Ubiquitin | | Authors: | Siliqi, D, Caliandro, R, Falini, G, Fermani, S, Natile, G, Arnesano, F, Belviso, B.D. | | Deposit date: | 2010-05-19 | | Release date: | 2011-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.795 Å) | | Cite: | Crystallographic analysis of metal-ion binding to human ubiquitin.
Chemistry, 17, 2011
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2PKQ
 | | Crystal structure of the photosynthetic A2B2-glyceraldehyde-3-phosphate dehydrogenase, complexed with NADP | | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase A, Glyceraldehyde-3-phosphate dehydrogenase B, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Fermani, S, Falini, G, Ripamonti, A. | | Deposit date: | 2007-04-18 | | Release date: | 2007-06-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Molecular mechanism of thioredoxin regulation in photosynthetic A2B2-glyceraldehyde-3-phosphate dehydrogenase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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1ZKR
 | | Crystal structure of the major cat allergen Fel d 1 (1+2) | | Descriptor: | Major allergen I polypeptide, fused chain 1, chain 2 | | Authors: | Kaiser, L, Cirkovic Velickovic, T, Adedoyin, J, Thunberg, S, Gronlund, H, Gafvelin, G, van Hage, M, Achour, A. | | Deposit date: | 2005-05-04 | | Release date: | 2006-05-16 | | Last modified: | 2017-07-26 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of the major cat allergen Fel d 1 (1+2)
To be Published
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6CM2
 | | SAMHD1 HD domain bound to decitabine triphosphate | | Descriptor: | 6-amino-3-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Oellerich, T, Schneider, C, Thomas, D, Knecht, K.M, Buzovetsky, O, Kaderali, L, Schliemann, C, Bohnenberger, H, Angenendt, L, Hartmann, W, Wardelmann, E, Rothenburger, T, Mohr, S, Scheich, S, Comoglio, F, Wilke, A, Strobel, P, Serve, H, Michaelis, M, Ferreiros, N, Geisslinger, G, Xiong, Y, Keppler, O.T, Cinatl, J. | | Deposit date: | 2018-03-02 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Selective inactivation of hypomethylating agents by SAMHD1 provides a rationale for therapeutic stratification in AML.
Nat Commun, 10, 2019
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6DWJ
 | | SAMHD1 Bound to Vidarabine-TP in the Catalytic Pocket | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | | Deposit date: | 2018-06-26 | | Release date: | 2018-10-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DWD
 | | SAMHD1 Bound to Clofarabine-TP in the Catalytic Pocket and Allosteric Pocket | | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, 9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-me thyl-9H-purin-6-amine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | | Deposit date: | 2018-06-26 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DW4
 | | SAMHD1 Bound to Cladribine-TP in the Catalytic Pocket and Allosteric Pocket | | Descriptor: | 2'-deoxy-2-methyladenosine 5'-(tetrahydrogen triphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | | Deposit date: | 2018-06-26 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DWK
 | | SAMHD1 Bound to Fludarabine-TP in the Catalytic Pocket | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-a mine, ... | | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | | Deposit date: | 2018-06-26 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2C3E
 | | The bovine mitochondrial ADP-ATP carrier | | Descriptor: | ADP/ATP TRANSLOCASE 1, CARDIOLIPIN, Carboxyatractyloside | | Authors: | Nury, H, Dahout-Gonzalez, C, Trezeguet, V, Lauquin, G, Brandolin, G, Pebay-Peyroula, E. | | Deposit date: | 2005-10-06 | | Release date: | 2005-10-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Basis for Lipid-Mediated Interactions between Mitochondrial Adp/ATP Carrier Monomers.
FEBS Lett., 579, 2005
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1F9I
 | | CRYSTAL STRUCTURE OF THE PHOTOACTIVE YELLOW PROTEIN MUTANT Y42F | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | | Authors: | Brudler, R, Meyer, T.E, Genick, U.K, Tollin, G, Getzoff, E.D. | | Deposit date: | 2000-07-10 | | Release date: | 2000-07-21 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Coupling of hydrogen bonding to chromophore conformation and function in photoactive yellow protein.
Biochemistry, 39, 2000
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1F98
 | | CRYSTAL STRUCTURE OF THE PHOTOACTIVE YELLOW PROTEIN MUTANT T50V | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | | Authors: | Brudler, R, Meyer, T.E, Genick, U.K, Tollin, G, Getzoff, E.D. | | Deposit date: | 2000-07-07 | | Release date: | 2000-07-21 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Coupling of hydrogen bonding to chromophore conformation and function in photoactive yellow protein.
Biochemistry, 39, 2000
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4BFR
 | | Discovery and Optimization of Pyrimidone Indoline Amide PI3Kbeta Inhibitors for the Treatment of Phosphatase and TENsin homologue (PTEN)-Deficient Cancers | | Descriptor: | 2-[2-(2-METHYL-2,3-DIHYDRO-INDOL-1-YL)-2-OXO-ETHYL]-6-MORPHOLIN-4-YL-3H-PYRIMIDIN-4-ONE, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC S SUBUNIT BETA ISOFORM | | Authors: | Certal, V, Carry, J.C, Halley, F, Virone-Oddos, A, Thompson, F, Filoche-Romme, B, El-Ahmad, Y, Karlsson, A, Charrier, V, Delorme, C, Rak, A, Abecassis, P.Y, Amara, C, Vincent, L, Bonnevaux, H, Nicolas, J.P, Mathieu, M, Bertrand, T, Marquette, J.P, Michot, N, Benard, T, Perrin, M.A, Perron, S, Monget, S, Gruss-Leleu, F, Doerflinger, G, Guizani, H, Brollo, M, Delbarre, L, Bertin, L, Richepin, P, Loyau, V, Garcia-Echeverria, C, Lengauer, C, Schio, L. | | Deposit date: | 2013-03-22 | | Release date: | 2014-01-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery and Optimization of Pyrimidone Indoline Amide Pi3Kbeta Inhibitors for the Treatment of Phosphatase and Tensin Homologue (Pten)-Deficient Cancers.
J.Med.Chem., 57, 2014
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1KV7
 | | Crystal Structure of CueO, a multi-copper oxidase from E. coli involved in copper homeostasis | | Descriptor: | COPPER (II) ION, CU-O-CU LINKAGE, PROBABLE BLUE-COPPER PROTEIN YACK | | Authors: | Roberts, S.A, Weichsel, A, Grass, G, Thakali, K, Hazzard, J.T, Tollin, G, Rensing, C, Montfort, W.R. | | Deposit date: | 2002-01-25 | | Release date: | 2002-02-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure and electron transfer kinetics of CueO, a multicopper oxidase required for copper homeostasis in Escherichia coli.
Proc.Natl.Acad.Sci.USA, 99, 2002
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3RVD
 | | Crystal structure of the binary complex, obtained by soaking, of photosyntetic a4 glyceraldehyde 3-phosphate dehydrogenase (gapdh) with cp12-2, both from arabidopsis thaliana. | | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Fermani, S, Thumiger, A, Falini, G, Marri, L, Sparla, F, Trost, P. | | Deposit date: | 2011-05-06 | | Release date: | 2012-04-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Conformational Selection and Folding-upon-binding of Intrinsically Disordered Protein CP12 Regulate Photosynthetic Enzymes Assembly.
J.Biol.Chem., 287, 2012
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3QV1
 | | Crystal structure of the binary complex of photosyntetic A4 glyceraldehyde 3-phosphate dehydrogenase (GAPDH) with cp12-2, both from Arabidopsis thaliana. | | Descriptor: | 1,2-ETHANEDIOL, CP12 protein, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Thumiger, A, Fermani, S, Falini, G, Marri, L, Sparla, F, Trost, P. | | Deposit date: | 2011-02-25 | | Release date: | 2012-02-29 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformational Selection and Folding-upon-binding of Intrinsically Disordered Protein CP12 Regulate Photosynthetic Enzymes Assembly.
J.Biol.Chem., 287, 2012
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1KA8
 | | Crystal Structure of the Phage P4 Origin-Binding Domain | | Descriptor: | putative P4-specific DNA primase | | Authors: | Yeo, H.J, Ziegelin, G, Korolev, S, Calendar, R, Lanka, E, Waksman, G. | | Deposit date: | 2001-10-31 | | Release date: | 2002-04-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Phage P4 origin-binding domain structure reveals a mechanism for regulation of DNA-binding activity by homo- and heterodimerization of winged helix proteins.
Mol.Microbiol., 43, 2002
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2N2P
 | | Solution structure of a double base-pair inversion mutant of murine tumour necrosis factor alpha CDE-23 RNA | | Descriptor: | RNA (5'-R(P*GP*CP*AP*UP*GP*UP*UP*UP*AP*GP*UP*GP*UP*CP*UP*AP*AP*AP*CP*GP*GP*UP*U)-3') | | Authors: | Codutti, L, Leppek, K, Zalesak, J, Windeisen, V, Masiewicz, P, Stoecklin, G, Carlomagno, T. | | Deposit date: | 2015-05-11 | | Release date: | 2015-08-05 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | A Distinct, Sequence-Induced Conformation Is Required for Recognition of the Constitutive Decay Element RNA by Roquin.
Structure, 23, 2015
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2C9X
 | | Sulfite dehydrogenase from Starkeya Novella Y236F mutant | | Descriptor: | (MOLYBDOPTERIN-S,S)-OXO-MOLYBDENUM, HEME C, SULFATE ION, ... | | Authors: | Bailey, S, Kappler, U, Feng, C, Honeychurch, M.J, Bernhardt, P, Tollin, G, Enemark, J. | | Deposit date: | 2005-12-15 | | Release date: | 2006-08-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Kinetic and Structural Evidence for the Importance of Tyr236 for the Integrity of the Mo Active Site in a Bacterial Sulfite Dehydrogenase.
Biochemistry, 45, 2006
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1OKC
 | | structure of mitochondrial ADP/ATP carrier in complex with carboxyatractyloside | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-LAURYLAMIDO-N,N'-DIMETHYLPROPYLAMINOXYDE, ADP, ... | | Authors: | Pebay-Peyroula, E, Dahout-Gonzalez, C, Kahn, R, Trezeguet, V, Lauquin, G.J.-M, Brandolin, G. | | Deposit date: | 2003-07-21 | | Release date: | 2003-11-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of Mitochondrial Adp/ATP Carrier in Complex with Carboxyatractyloside
Nature, 426, 2003
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2EJN
 | | Structural characterization of the tetrameric form of the major cat allergen fel D 1 | | Descriptor: | CALCIUM ION, Major allergen I polypeptide chain 1, chain 2 | | Authors: | Kaiser, L, Velickovic, T.C, Badia-Martinez, D, Adedoyin, J, Thunberg, S, Hallen, D, Berndt, K, Gronlund, H, Gafvelin, G, van Hage, M, Achour, A. | | Deposit date: | 2007-03-19 | | Release date: | 2007-04-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structural characterization of the tetrameric form of the major cat allergen Fel d 1
J.Mol.Biol., 370, 2007
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1Q4X
 | | Crystal Structure of Human Thyroid Hormone Receptor beta LBD in complex with specific agonist GC-24 | | Descriptor: | Thyroid hormone receptor beta-1, [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-DIMETHYLPHENOXY]ACETIC ACID | | Authors: | Borngraeber, S, Budny, M.J, Chiellini, G, Cunha-Lima, S.T, Togashi, M, Webb, P, Baxter, J.D, Scanlan, T.S, Fletterick, R.J. | | Deposit date: | 2003-08-04 | | Release date: | 2004-02-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Ligand selectivity by seeking hydrophobicity in thyroid hormone receptor.
Proc.Natl.Acad.Sci.USA, 100, 2003
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2N2O
 | | Structure of murine tumour necrosis factor alpha CDE RNA | | Descriptor: | RNA (5'-R(P*GP*CP*AP*UP*GP*UP*UP*UP*UP*CP*UP*GP*UP*GP*AP*AP*AP*AP*CP*GP*GP*UP*U)-3') | | Authors: | Codutti, L, Leppek, K, Zalesak, J, Windeisen, V, Masiewicz, P, Stoecklin, G, Carlomagno, T. | | Deposit date: | 2015-05-11 | | Release date: | 2015-08-05 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | A Distinct, Sequence-Induced Conformation Is Required for Recognition of the Constitutive Decay Element RNA by Roquin.
Structure, 23, 2015
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1J7B
 | | STRUCTURE OF THE ANABAENA FERREDOXIN MUTANT E94K | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN I | | Authors: | Hurley, J.K, Weber-Main, A.M, Stankovich, M.T, Benning, M.M, Thoden, J.B, Vanhooke, J.L, Holden, H.M, Chae, Y.K, Xia, B, Cheng, H, Markley, J.L, Martinez-Julvez, M, Gomez-Moreno, C, Schmeits, J.L, Tollin, G. | | Deposit date: | 2001-05-16 | | Release date: | 2001-05-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-function relationships in Anabaena ferredoxin: correlations between X-ray crystal structures, reduction potentials, and rate constants of electron transfer to ferredoxin:NADP+ reductase for site-specific ferredoxin mutants.
Biochemistry, 36, 1997
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2VB5
 | | Solution structure of W60G mutant of human beta2-microglobulin | | Descriptor: | BETA-2-MICROGLOBULIN | | Authors: | Esposito, G, Corazza, A, Rennella, E, Gumral, D, Mimmi, M.C, Fogolari, F, Viglino, P, Raimondi, S, Giorgetti, S, Bolognesi, B, Merlini, G, Stoppini, M, Bellotti, V. | | Deposit date: | 2007-09-06 | | Release date: | 2007-09-25 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The Controlling Roles of Trp60 and Trp95 in Beta2-Microglobulin Function, Folding and Amyloid Aggregation Properties.
J.Mol.Biol., 378, 2008
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1J7C
 | | STRUCTURE OF THE ANABAENA FERREDOXIN MUTANT E95K | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN I | | Authors: | Hurley, J.K, Weber-Main, A.M, Stankovich, M.T, Benning, M.M, Thoden, J.B, Vanhooke, J.L, Holden, H.M, Chae, Y.K, Xia, B, Cheng, H, Markley, J.L, Martinez-Julvez, M, Gomez-Moreno, C, Schmeits, J.L, Tollin, G. | | Deposit date: | 2001-05-16 | | Release date: | 2001-05-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-function relationships in Anabaena ferredoxin: correlations between X-ray crystal structures, reduction potentials, and rate constants of electron transfer to ferredoxin:NADP+ reductase for site-specific ferredoxin mutants.
Biochemistry, 36, 1997
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