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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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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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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5UYO
 | | Solution NMR structure of the de novo mini protein HEEH_rd4_0097 | | Descriptor: | HEEH_rd4_0097 | | Authors: | Lemak, A, Rocklin, G.J, Houliston, S, Carter, L, Chidyausiku, T.M, Baker, D, Arrowsmith, C.H. | | Deposit date: | 2017-02-24 | | Release date: | 2017-07-26 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Global analysis of protein folding using massively parallel design, synthesis, and testing.
Science, 357, 2017
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6DW7
 | | SAMHD1 without Catalytic Nucleotides | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GLYCINE, ... | | 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 (2.5 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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6DW3
 | | SAMHD1 Bound to Cytarabine-TP in the Catalytic Pocket | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, 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: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 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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5UP5
 | | Solution structure of the de novo mini protein EHEE_rd1_0284 | | Descriptor: | EHEE_rd1_0284 | | Authors: | Houliston, S, Rocklin, G.J, Lemak, A, Carter, L, Chidyausiku, T.M, Baker, D, Arrowsmith, C.H. | | Deposit date: | 2017-02-01 | | Release date: | 2017-07-26 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Global analysis of protein folding using massively parallel design, synthesis, and testing.
Science, 357, 2017
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6DW5
 | | SAMHD1 Bound to Gemcitabine-TP in the Catalytic Pocket | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), 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 (1.93 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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2Z9T
 | | Crystal structure of the human beta-2 microglobulin mutant W60G | | Descriptor: | Beta-2-microglobulin | | Authors: | Ricagno, S, Bolognesi, M, Bellotti, V, Corazza, A, Rennella, E, Gural, D, Mimmi, M.C, Betto, E, Pucillo, C, Fogolari, F, Viglino, P, Raimondi, S, Giorgetti, S, Bolognesi, B, Merlini, G, Stoppini, M. | | Deposit date: | 2007-09-26 | | Release date: | 2008-04-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | 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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3HUA
 | | 4,5,6,7-tetrahydroindole in complex with T4 lysozyme L99A/M102Q | | Descriptor: | 4,5,6,7-tetrahydro-1H-indole, BETA-MERCAPTOETHANOL, Lysozyme, ... | | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | Deposit date: | 2009-06-13 | | Release date: | 2009-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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3HU8
 | | 2-ethoxyphenol in complex with T4 lysozyme L99A/M102Q | | Descriptor: | 2-ethoxyphenol, Lysozyme, PHOSPHATE ION | | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | Deposit date: | 2009-06-13 | | Release date: | 2009-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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3HTB
 | | 2-propylphenol in complex with T4 lysozyme L99A/M102Q | | Descriptor: | 2-propylphenol, BETA-MERCAPTOETHANOL, Lysozyme, ... | | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | Deposit date: | 2009-06-11 | | Release date: | 2009-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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2A55
 | | Solution structure of the two N-terminal CCP modules of C4b-binding protein (C4BP) alpha-chain. | | Descriptor: | C4b-binding protein | | Authors: | Jenkins, H.T, Mark, L, Ball, G, Lindahl, G, Uhrin, D, Blom, A.M, Barlow, P.N. | | Deposit date: | 2005-06-30 | | Release date: | 2005-12-13 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Human C4b-binding Protein, Structural Basis for Interaction with Streptococcal M Protein, a Major Bacterial Virulence Factor
J.Biol.Chem., 281, 2006
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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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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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4K7U
 | | Crystal structure of Zn2.3-hUb (human ubiquitin) adduct from a solution 70 mM zinc acetate/1.3 mM hUb | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Fermani, S, Falini, G, Calvaresi, M, Bottoni, A, Arnesano, F, Natile, G. | | Deposit date: | 2013-04-17 | | Release date: | 2013-05-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Conformational selection of ubiquitin quaternary structures driven by zinc ions.
Chemistry, 19, 2013
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4K7S
 | | Crystal structure of Zn2-hUb (human ubiquitin) adduct from a solution 35 mM zinc acetate/1.3 mM hUb | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ZINC ION, ... | | Authors: | Fermani, S, Falini, G, Calvaresi, M, Bottoni, A, Arnesano, F, Natile, G. | | Deposit date: | 2013-04-17 | | Release date: | 2013-05-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Conformational selection of ubiquitin quaternary structures driven by zinc ions.
Chemistry, 19, 2013
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1KO3
 | | VIM-2, a Zn-beta-lactamase from Pseudomonas aeruginosa with Cys221 reduced | | Descriptor: | ACETATE ION, CHLORIDE ION, HYDROXIDE ION, ... | | Authors: | Garcia-Saez, I, Docquier, J.-D, Rossolini, G.M, Dideberg, O. | | Deposit date: | 2001-12-20 | | Release date: | 2003-09-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | The three-dimensional structure of VIM-2, a Zn-beta-lactamase from Pseudomonas aeruginosa in its reduced and oxidised form
J.Mol.Biol., 375, 2008
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1KO2
 | | VIM-2, a Zn-beta-lactamase from Pseudomonas aeruginosa with an oxidized Cys (cysteinesulfonic) | | Descriptor: | ACETATE ION, VIM-2 metallo-beta-lactamase, ZINC ION | | Authors: | Garcia-Saez, I, Docquier, J.-D, Rossolini, G.M, Dideberg, O. | | Deposit date: | 2001-12-20 | | Release date: | 2003-09-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The three-dimensional structure of VIM-2, a Zn-beta-lactamase from Pseudomonas aeruginosa in its reduced and oxidised form
J.Mol.Biol., 375, 2008
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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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7ZQK
 | | Crystal structure of photosynthetic glyceraldehyde-3-phosphate dehydrogenase from Chlamydomonas reinhardtii (CrGAPA) complexed with NAD+ | | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Fermani, S, Zaffagnini, M, Lemaire, S.D, Falini, G, Fanti, S, Rossi, J. | | Deposit date: | 2022-04-30 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural snapshots of nitrosoglutathione binding and reactivity underlying S-nitrosylation of photosynthetic GAPDH.
Redox Biol, 54, 2022
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7ZQ4
 | | Crystal structure of photosynthetic glyceraldehyde-3-phosphate dehydrogenase from Chlamydomonas reinhardtii (CrGAPA) complexed with NADP+ and the oxidated catalytic cysteine | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase A, ... | | Authors: | Fermani, S, Zaffagnini, M, Lemaire, S.D, Falini, G, Fanti, S, Rossi, J. | | Deposit date: | 2022-04-29 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural snapshots of nitrosoglutathione binding and reactivity underlying S-nitrosylation of photosynthetic GAPDH.
Redox Biol, 54, 2022
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7ZQ3
 | | Crystal structure of photosynthetic glyceraldehyde-3-phosphate dehydrogenase from Chlamydomonas reinhardtii (CrGAPA) complexed with NADP+ | | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Fermani, S, Zaffagnini, M, Lemaire, S.D, Falini, G, Fanti, S, Rossi, J. | | Deposit date: | 2022-04-29 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural snapshots of nitrosoglutathione binding and reactivity underlying S-nitrosylation of photosynthetic GAPDH.
Redox Biol, 54, 2022
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4K7W
 | | Crystal structure of Zn3-hUb(human ubiquitin) adduct from a solution 100 mM zinc acetate/1.3 mM hUb | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ZINC ION, ... | | Authors: | Fermani, S, Falini, G, Calvaresi, M, Bottoni, A, Arnesano, F, Natile, G. | | Deposit date: | 2013-04-17 | | Release date: | 2013-05-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Conformational selection of ubiquitin quaternary structures driven by zinc ions.
Chemistry, 19, 2013
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