6DDQ
 
 | | Crystal structure of the double mutant (R39Q/D52N) of the full-length NT5C2 in the basal state | | Descriptor: | 1,2-ETHANEDIOL, Cytosolic purine 5'-nucleotidase, PHOSPHATE ION | | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L. | | Deposit date: | 2018-05-10 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
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2FKZ
 | | Reduced (All Ferrous) form of the Azotobacter vinelandii bacterioferritin | | Descriptor: | Bacterioferritin, FE (II) ION, MAGNESIUM ION, ... | | Authors: | Swartz, L, Kunchinskas, M, Li, H, Poulos, T.L, Lanzilotta, W.N. | | Deposit date: | 2006-01-05 | | Release date: | 2006-04-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Redox-Dependent Structural Changes in the Azotobacter vinelandii Bacterioferritin: New Insights into the Ferroxidase and Iron Transport Mechanism(,).
Biochemistry, 45, 2006
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5LOF
 | | Crystal structure of the MBP-MCL1 complex with highly selective and potent inhibitor of MCL1 | | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Dokurno, P, Kotschy, A, Szlavik, Z, Murray, J, Davidson, J, Csekei, M, Paczal, A, Szabo, Z, Sipos, S, Radics, G, Proszenyak, A, Balint, B, Ondi, L, Blasko, G, Robertson, A, Surgenor, A, Chen, I, Matassova, N, Smith, J, Pedder, C, Graham, C, Geneste, O. | | Deposit date: | 2016-08-09 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The MCL1 inhibitor S63845 is tolerable and effective in diverse cancer models.
Nature, 538, 2016
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2EX3
 | | Bacteriophage phi29 DNA polymerase bound to terminal protein | | Descriptor: | DNA polymerase, DNA terminal protein, LEAD (II) ION | | Authors: | Kamtekar, S, Berman, A.J, Wang, J, de Vega, M, Blanco, L, Salas, M, Steitz, T.A. | | Deposit date: | 2005-11-07 | | Release date: | 2006-03-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The phi29 DNA polymerase:protein-primer structure suggests a model for the initiation to elongation transition
Embo J., 25, 2006
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5LOM
 | | Crystal structure of the PBP SocA from Agrobacterium tumefaciens C58 in complex with DFG at 1.5 A resolution | | Descriptor: | 1,2-ETHANEDIOL, Deoxyfructosyl-amino Acid Transporter Periplasmic Binding Protein, Deoxyfructosylglutamine | | Authors: | Marty, L, Vigouroux, A, Morera, S. | | Deposit date: | 2016-08-09 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Basis for High Specificity of Amadori Compound and Mannopine Opine Binding in Bacterial Pathogens.
J.Biol.Chem., 291, 2016
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5LDT
 | | Crystal Structures of MOMP from Campylobacter jejuni | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CALCIUM ION, MOMP porin | | Authors: | Ferrara, L.G.M, Wallat, G.D, Moynie, L, Naismith, J.H. | | Deposit date: | 2016-06-27 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | MOMP from Campylobacter jejuni Is a Trimer of 18-Stranded beta-Barrel Monomers with a Ca(2+) Ion Bound at the Constriction Zone.
J.Mol.Biol., 428, 2016
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6DNH
 | | Cryo-EM structure of human CPSF-160-WDR33-CPSF-30-PAS RNA complex at 3.4 A resolution | | Descriptor: | Cleavage and polyadenylation specificity factor subunit 1, Cleavage and polyadenylation specificity factor subunit 4, RNA (5'-R(P*AP*AP*UP*AP*AP*AP*C)-3'), ... | | Authors: | Sun, Y, Zhang, Y, Hamilton, K, Walz, T, Tong, L. | | Deposit date: | 2018-06-06 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Molecular basis for the recognition of the human AAUAAA polyadenylation signal.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2F6B
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2F1X
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5LG5
 | | Crystal structure of allantoin racemase from Pseudomonas fluorescens AllR | | Descriptor: | Allantoin racemase | | Authors: | Cendron, l, Zanotti, G, Percudani, R, Ragazzina, I, Puggioni, V, Maccacaro, E, Liuzzi, A, Secchi, A. | | Deposit date: | 2016-07-06 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Structure and Function of a Microbial Allantoin Racemase Reveal the Origin and Conservation of a Catalytic Mechanism.
Biochemistry, 55, 2016
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2F73
 | | Crystal structure of human fatty acid binding protein 1 (FABP1) | | Descriptor: | Fatty acid-binding protein, liver | | Authors: | Kursula, P, Thorsell, A.G, Arrowsmith, C, Berglund, H, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Holmberg Schiavone, L, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, van den Berg, S, Weigelt, J, Hallberg, B.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-11-30 | | Release date: | 2005-12-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of human FABP1
To be Published
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2F7V
 | | Structure of acetylcitrulline deacetylase complexed with one Co | | Descriptor: | COBALT (II) ION, aectylcitrulline deacetylase | | Authors: | Shi, D, Yu, X, Roth, L, Allewell, N.M, Tuchman, M. | | Deposit date: | 2005-12-01 | | Release date: | 2006-09-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure of a novel N-acetyl-L-citrulline deacetylase from Xanthomonas campestris
Biophys.Chem., 126, 2007
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5LJF
 | | Crystal structure of the endo-1,4-glucanase RBcel1 E135A with cellotriose | | Descriptor: | Endoglucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Dutoit, R, Collet, L, Galleni, M, Bauvois, C. | | Deposit date: | 2016-07-18 | | Release date: | 2017-08-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.734396 Å) | | Cite: | Glycoside hydrolase family 5: structural snapshots highlighting the involvement of two conserved residues in catalysis.
Acta Crystallogr D Struct Biol, 77, 2021
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5LKJ
 | | Crystal structure of mouse CARM1 in complex with ligand SA684 | | Descriptor: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-carbamimidamidoethyl)amino]-2-azanyl-butanoic acid, 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, ... | | Authors: | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2016-07-22 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.595 Å) | | Cite: | Crystal structure of mouse CARM1 in complex with ligands
To Be Published
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6DLU
 | | Cryo-EM of the GMPPCP-bound human dynamin-1 polymer assembled on the membrane in the constricted state | | Descriptor: | Dynamin-1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | | Authors: | Kong, L, Wang, H, Fang, S, Canagarajah, B, Kehr, A.D, Rice, W.J, Hinshaw, J.E. | | Deposit date: | 2018-06-02 | | Release date: | 2018-08-01 | | Last modified: | 2020-01-08 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | Cryo-EM of the dynamin polymer assembled on lipid membrane.
Nature, 560, 2018
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2FEN
 | | 3-carboxy-cis,cis-muconate lactonizing enzyme from Agrobacterium radiobacter S2 | | Descriptor: | 3-carboxy-cis,cis-muconate lactonizing enzyme, CHLORIDE ION, SULFATE ION | | Authors: | Lehtio, L, Goldman, A. | | Deposit date: | 2005-12-16 | | Release date: | 2006-10-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure and function of the 3-carboxy-cis,cis-muconate lactonizing enzyme from the protocatechuate degradative pathway of Agrobacterium radiobacter S2.
Febs J., 273, 2006
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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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2FFB
 | | The crystal structure of the HlyB-NBD E631Q mutant in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Alpha-hemolysin translocation ATP-binding protein hlyB | | Authors: | Zaitseva, J, Oswald, C, Jumpertz, T, Jenewein, S, Holland, I.B, Schmitt, L. | | Deposit date: | 2005-12-19 | | Release date: | 2006-08-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A structural analysis of asymmetry required for catalytic activity of an ABC-ATPase domain dimer.
Embo J., 25, 2006
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5LL7
 | | Crystal structure of KPC-2 carbapenemase in complex with a phenyl boronic inhibitor. | | Descriptor: | (~{E})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid, 1,2-ETHANEDIOL, Beta-lactamase | | Authors: | Vicario, M, Celenza, G, Bellio, P, Perilli, M.G, Tondi, D, Cendron, L. | | Deposit date: | 2016-07-26 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Phenylboronic Acid Derivatives as Validated Leads Active in Clinical Strains Overexpressing KPC-2: A Step against Bacterial Resistance.
Chemmedchem, 13, 2018
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6D6V
 | | CryoEM structure of Tetrahymena telomerase with telomeric DNA at 4.8 Angstrom resolution | | Descriptor: | DNA (5'-D(P*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*G)-3'), RNA (159-MER), Telomerase associated protein p65, ... | | Authors: | Jiang, J, Wang, Y, Susac, L, Chan, H, Basu, R, Zhou, Z.H, Feigon, J. | | Deposit date: | 2018-04-22 | | Release date: | 2018-05-30 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Structure of Telomerase with Telomeric DNA.
Cell, 173, 2018
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2F3M
 | | Structure of human GLUTATHIONE S-TRANSFERASE M1A-1A complexed with 1-(S-(GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXADIENATE ANION | | Descriptor: | 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE, Glutathione S-transferase Mu 1 | | Authors: | Patskovsky, Y, Patskovska, L, Almo, S.C, Listowsky, I. | | Deposit date: | 2005-11-21 | | Release date: | 2006-04-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Transition state model and mechanism of nucleophilic aromatic substitution reactions catalyzed by human glutathione S-transferase M1a-1a.
Biochemistry, 45, 2006
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2F15
 | | Glycogen-Binding Domain Of The Amp-Activated Protein Kinase beta2 Subunit | | Descriptor: | 5'-AMP-activated protein kinase, beta-2 subunit | | Authors: | Walker, J.R, Wybenga-Groot, L, Finerty Jr, P.J, Newman, E, MacKenzie, F.M, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-11-14 | | Release date: | 2005-12-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the Glycogen-Binding Domain Of The Amp-Activated Protein Kinase beta2 Subunit
To be Published
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5LPG
 | | Structure of NUDT15 in complex with 6-thio-GMP | | Descriptor: | MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15, [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-sulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | | Authors: | Masuyer, G, Carter, M, Rehling, D, Stenmark, P, Helleday, T, Jemth, A.-S, Valerie, N.C.K, Homan, E, Herr, P, Bevc, L, Page, B.D.G, Hagenkort, A. | | Deposit date: | 2016-08-12 | | Release date: | 2016-08-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | NUDT15 Hydrolyzes 6-Thio-DeoxyGTP to Mediate the Anticancer Efficacy of 6-Thioguanine.
Cancer Res., 76, 2016
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6DD3
 | | Crystal structure of the double mutant (D52N/D407A) of NT5C2-537X in the active state | | Descriptor: | Cytosolic purine 5'-nucleotidase, GLYCEROL, PHOSPHATE ION | | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L. | | Deposit date: | 2018-05-09 | | Release date: | 2018-07-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
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6DDC
 | | Crystal structure of the single mutant (D52N) of NT5C2-537X in the basal state, Northeast Structural Genomics Consortium Target | | Descriptor: | Cytosolic purine 5'-nucleotidase, MAGNESIUM ION, PHOSPHATE ION | | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2018-05-09 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
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