1E9F
 
 | | Mutant human thymidylate kinase complexed with TMP and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, THYMIDINE-5'-PHOSPHATE, ... | | Authors: | Ostermann, N, Lavie, A, Padiyar, S, Brundiers, R, Veit, T, Reinstein, J, Goody, R.S, Konrad, M, Schlichting, I. | | Deposit date: | 2000-10-11 | | Release date: | 2001-10-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Potentiating Azt Activation: Structures of Wildtype and Mutant Human Thymidylate Kinase Suggest Reasons for the Mutants' Improved Kinetics with the HIV Prodrug Metabolite Aztmp
J.Mol.Biol., 304, 2000
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1EXP
 | | BETA-1,4-GLYCANASE CEX-CD | | Descriptor: | BETA-1,4-D-GLYCANASE CEX-CD, beta-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-glucopyranose | | Authors: | White, A, Tull, D, Johns, K.L, Withers, S.G, Rose, D.R. | | Deposit date: | 1996-01-11 | | Release date: | 1997-01-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystallographic observation of a covalent catalytic intermediate in a beta-glycosidase.
Nat.Struct.Biol., 3, 1996
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8I7E
 | | Crystal structure of Glyceraldehyde 3-phosphate dehydrogenase from Salmonella typhi at 2.05A | | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase | | Authors: | Kumar, N, Dilawari, R, Chaubey, G.K, Modanwal, R, Talukdar, S, Dhiman, A, Chaudhary, S, Patidar, A, Kumar, A, Raje, C.I, Raje, M, Kumaran, S. | | Deposit date: | 2023-01-31 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of Glyceraldehyde 3-phosphate dehydrogenase from Salmonella typhi at 2.05A
To Be Published
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8OEP
 | | Crystal structure of the PTPN3 PDZ domain bound to the HPV18 E6 oncoprotein C-terminal peptide | | Descriptor: | Protein E6, SODIUM ION, Tyrosine-protein phosphatase non-receptor type 3 | | Authors: | Genera, M, Colcombet-Cazenave, B, Croitoru, A, Raynal, B, Mechaly, A, Caillet, J, Haouz, A, Wolff, N, Caillet-Saguy, C. | | Deposit date: | 2023-03-11 | | Release date: | 2023-05-10 | | Last modified: | 2023-05-31 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Interactions of the protein tyrosine phosphatase PTPN3 with viral and cellular partners through its PDZ domain: insights into structural determinants and phosphatase activity.
Front Mol Biosci, 10, 2023
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8KCM
 | | MmCPDII-DNA complex containing low-dosage, light induced repaired DNA. | | Descriptor: | Deoxyribodipyrimidine photo-lyase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Maestre-Reyna, M, Wang, P.-H, Nango, E, Hosokawa, Y, Saft, M, Furrer, A, Yang, C.-H, Ngura Putu, E.P.G, Wu, W.-J, Emmerich, H.-J, Engilberge, S, Caramello, N, Wranik, M, Glover, H.L, Franz-Badur, S, Wu, H.-Y, Lee, C.-C, Huang, W.-C, Huang, K.-F, Chang, Y.-K, Liao, J.-H, Weng, J.-H, Gad, W, Chang, C.-W, Pang, A.H, Gashi, D, Beale, E, Ozerov, D, Milne, C, Cirelli, C, Bacellar, C, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Spadaccini, R, Royant, A, Yamamoto, J, Iwata, S, Standfuss, J, Essen, L.-O, Bessho, Y, Tsai, M.-D. | | Deposit date: | 2023-08-08 | | Release date: | 2023-11-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Visualizing the DNA repair process by a photolyase at atomic resolution.
Science, 382, 2023
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4U36
 | | Crystal structure of a seed lectin from Vatairea macrocarpa complexed with Tn-antigen | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, CITRIC ACID, ... | | Authors: | Sousa, B.L, Silva-Filho, J.C, Kumar, P, Lyskowski, A, Bezerra, G.A, Delatorre, P, Rocha, B.A.M, Nagano, C.S, Gruber, K, Cavada, B.S. | | Deposit date: | 2014-07-18 | | Release date: | 2014-12-31 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | High-resolution structure of a new Tn antigen-binding lectin from Vatairea macrocarpa and a comparative analysis of Tn-binding legume lectins.
Int.J.Biochem.Cell Biol., 59C, 2014
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4U4I
 | | Megavirus chilensis superoxide dismutase | | Descriptor: | Cu/Zn superoxide dismutase | | Authors: | Lartigue, A, Claverie, J.-M, Burlat, B, Coutard, B, Abergel, C. | | Deposit date: | 2014-07-23 | | Release date: | 2014-11-05 | | Last modified: | 2014-12-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The megavirus chilensis cu,zn-superoxide dismutase: the first viral structure of a typical cellular copper chaperone-independent hyperstable dimeric enzyme.
J.Virol., 89, 2015
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4U2A
 | | Structure of a lectin from the seeds of Vatairea macrocarpa complexed with GalNAc | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, CITRIC ACID, ... | | Authors: | Sousa, B.L, Silva-Filho, J.C, Kumar, P, Lyskowski, A, Bezerra, G.A, Delatorre, P, Rocha, B.A.M, Nagano, C.S, Gruber, K, Cavada, B.S. | | Deposit date: | 2014-07-16 | | Release date: | 2014-12-31 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | High-resolution structure of a new Tn antigen-binding lectin from Vatairea macrocarpa and a comparative analysis of Tn-binding legume lectins.
Int.J.Biochem.Cell Biol., 59C, 2014
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4TVH
 | | HIV Protease (PR) dimer in closed form with TL-3 in active site and fragment AK-2097 in the outside/top of flap | | Descriptor: | 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid, BETA-MERCAPTOETHANOL, Protease, ... | | Authors: | Tiefenbrunn, T, Kislukhin, A, Finn, M.G, Stout, C.D. | | Deposit date: | 2014-06-26 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.195 Å) | | Cite: | Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease.
J.Phys.Chem.B, 119, 2015
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4UET
 | | Diversity in the structures and ligand binding sites among the fatty acid and retinol binding proteins of nematodes revealed by Na-FAR-1 from Necator americanus | | Descriptor: | NEMATODE FATTY ACID RETINOID BINDING PROTEIN | | Authors: | Rey-Burusco, M.F, Ibanez Shimabukuro, M, Griffiths, K, Cooper, A, Kennedy, M.W, Corsico, B, Smith, B.O, Griffiths, K. | | Deposit date: | 2014-12-18 | | Release date: | 2015-09-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Diversity in the Structures and Ligand Binding Sites of Nematode Fatty Acid and Retinol Binding Proteins Revealed by Na-Far-1 from Necator Americanus.
Biochem.J., 471, 2015
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4UPV
 | | Low X-ray dose structure of a Ni-A Ni-Sox mixture of the D. fructosovorans NiFe-hydrogenase L122A mutant | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ... | | Authors: | Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C. | | Deposit date: | 2014-06-18 | | Release date: | 2014-10-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Crystallographic studies of [NiFe]-hydrogenase mutants: towards consensus structures for the elusive unready oxidized states.
J. Biol. Inorg. Chem., 20, 2015
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4UPE
 | | Structure of the unready Ni-A state of the S499C mutant of D. fructosovorans NiFe-hydrogenase | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CARBONMONOXIDE-(DICYANO) IRON, ... | | Authors: | Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C. | | Deposit date: | 2014-06-16 | | Release date: | 2014-10-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystallographic studies of [NiFe]-hydrogenase mutants: towards consensus structures for the elusive unready oxidized states.
J. Biol. Inorg. Chem., 20, 2015
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4V99
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4US7
 | | Sulfur SAD Phased Structure of a Type IV Pilus Protein from Shewanella oneidensis | | Descriptor: | PILD PROCESSED PROTEIN, SODIUM ION, SULFATE ION | | Authors: | Gorgel, M, Boeggild, A, Ulstrup, J.J, Mueller, U, Weiss, M, Nissen, P, Boesen, T. | | Deposit date: | 2014-07-03 | | Release date: | 2015-04-29 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | High-Resolution Structure of a Type Iv Pilin from the Metal- Reducing Bacterium Shewanella Oneidensis.
Bmc Struct.Biol., 15, 2015
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4V0S
 | | Crystal structure of Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant inhibited by a 3-dehydroquinic acid derivative | | Descriptor: | (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3,4-DIHYDROXY-2-[(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL]BENZOIC ACID, 3-DEHYDROQUINATE DEHYDRATASE, ... | | Authors: | Otero, J.M, Llamas-Saiz, A.L, Santiago, C, Lamb, H, Hawkins, A.R, Maneiro, M, Peon, A, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2014-09-18 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase
To be Published
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4W64
 | | Hcp1 protein from Acinetobacter baumannii AB0057 | | Descriptor: | SULFATE ION, Type VI secretion system effector, Hcp1 family | | Authors: | Ruiz, F.M, Romero, A. | | Deposit date: | 2014-08-20 | | Release date: | 2015-07-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal Structure of Hcp from Acinetobacter baumannii: A Component of the Type VI Secretion System.
Plos One, 10, 2015
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8I5H
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8I5I
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8P2K
 | | Ternary complex of translating ribosome, NAC and METAP1 | | Descriptor: | 18s rRNA, 28S rRNA, 40S ribosomal protein S11, ... | | Authors: | Jia, M, Jaskolowski, M, Scaiola, A, Jomaa, A, Ban, N. | | Deposit date: | 2023-05-16 | | Release date: | 2023-07-19 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | NAC controls cotranslational N-terminal methionine excision in eukaryotes.
Science, 380, 2023
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4UZV
 | | Structure of a triple mutant of ASV-TfTrHb | | Descriptor: | ACETATE ION, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Baiocco, P, Bonamore, A, Sciamanna, N, Ilari, A, Boechi, L, Boffi, A, Smulevich, G, Feis, A. | | Deposit date: | 2014-09-09 | | Release date: | 2014-09-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Role of Local Structure and Dynamics of Small Ligand Migration in Proteins: A Study of a Mutated Truncated Hemoprotein from Thermobifida Fusca by Time Resolved Mir Spectroscopy.
J.Phys.Chem.B, 118, 2014
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8GNK
 | | CryoEM structure of cytosol-facing, substrate-bound ratGAT1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CHOLESTEROL, ... | | Authors: | Nayak, S.R, Joseph, D, Penmatsa, A. | | Deposit date: | 2022-08-24 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM structure of GABA transporter 1 reveals substrate recognition and transport mechanism.
Nat.Struct.Mol.Biol., 30, 2023
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8HFH
 | | CENP-E motor domain in complex with AMPPNP and Mg2+ | | Descriptor: | Centromere-associated protein E, IMIDAZOLE, MAGNESIUM ION, ... | | Authors: | Shibuya, A, Yokoyama, H. | | Deposit date: | 2022-11-10 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the motor domain of centromere-associated protein E in complex with a non-hydrolysable ATP analogue.
Febs Lett., 597, 2023
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8IOI
 | | Crystal Structure of PadR- family transcriptional regulator Rv1176c from Mycobacterium tuberculosis H37Rv. | | Descriptor: | CHLORIDE ION, GLYCEROL, HEXAETHYLENE GLYCOL, ... | | Authors: | Yadav, V, Zohib, M, Pal, R.K, Biswal, B.K, Arora, A. | | Deposit date: | 2023-03-11 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Structural and biophysical characterization of PadR family protein Rv1176c of Mycobacterium tuberculosis H37Rv.
Int.J.Biol.Macromol., 263, 2024
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8OEG
 | | PDE4B bound to MAPI compound 92a | | Descriptor: | MAGNESIUM ION, ZINC ION, [(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-4-yl]-1-(3,4-dimethoxyphenyl)ethyl] 5-[[[(1~{R})-2-[[(3~{R})-1-azabicyclo[2.2.2]octan-3-yl]oxy]-2-oxidanylidene-1-phenyl-ethyl]amino]methyl]thiophene-2-carboxylate, ... | | Authors: | Rizzi, A, Armani, E. | | Deposit date: | 2023-03-10 | | Release date: | 2023-04-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Optimization of M 3 Antagonist-PDE4 Inhibitor (MAPI) Dual Pharmacology Molecules for the Treatment of COPD.
J.Med.Chem., 66, 2023
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8JJS
 | | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP10343 | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAA-ILE-SAR-SAR-7T2-SAR-IAE-LEU-MEA-MLE-7TK, ... | | Authors: | Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T. | | Deposit date: | 2023-05-31 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.534 Å) | | Cite: | Development of Orally Bioavailable Peptides Targeting an Intracellular Protein: From a Hit to a Clinical KRAS Inhibitor.
J.Am.Chem.Soc., 145, 2023
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