7ZEG
 
 | | Human cytosolic 5' nucleotidase IIIB in complex with 3,4-diF-Bn7GMP | | Descriptor: | 1,2-ETHANEDIOL, 7-methylguanosine phosphate-specific 5'-nucleotidase, MAGNESIUM ION, ... | | Authors: | Kubacka, D, Kozarski, M, Baranowski, M.R, Wojcik, R, Jemielity, J, Kowalska, J, Basquin, J. | | Deposit date: | 2022-03-31 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Substrate-Based Design of Cytosolic Nucleotidase IIIB Inhibitors and Structural Insights into Inhibition Mechanism.
Pharmaceuticals, 15, 2022
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7ZEE
 | | Human cytosolic 5' nucleotidase IIIB | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-methylguanosine phosphate-specific 5'-nucleotidase, ... | | Authors: | Kubacka, D, Kozarski, M, Baranowski, M.R, Wojcik, R, Jemielity, J, Kowalska, J, Basquin, J. | | Deposit date: | 2022-03-31 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Substrate-Based Design of Cytosolic Nucleotidase IIIB Inhibitors and Structural Insights into Inhibition Mechanism.
Pharmaceuticals, 15, 2022
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2PTN
 | | ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY | | Descriptor: | CALCIUM ION, TRYPSIN | | Authors: | Walter, J, Steigemann, W, Singh, T.P, Bartunik, H, Bode, W, Huber, R. | | Deposit date: | 1981-10-26 | | Release date: | 1982-03-04 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography
Acta Crystallogr.,Sect.B, 38, 1982
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1DK0
 | | CRYSTAL STRUCTURE OF THE HEMOPHORE HASA FROM SERRATIA MARCESCENS CRYSTAL FORM P2(1), PH8 | | Descriptor: | HEME-BINDING PROTEIN A, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Arnoux, P, Haser, R, Izadi-Pruneyre, N, Lecroisey, A, Czjzek, M. | | Deposit date: | 1999-12-06 | | Release date: | 2000-12-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Functional aspects of the heme bound hemophore HasA by structural analysis of various crystal forms.
Proteins, 41, 2000
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2Y5T
 | | Crystal structure of the pathogenic autoantibody CIIC1 in complex with the triple-helical C1 peptide | | Descriptor: | C1, CHLORIDE ION, CIIC1 FAB FRAGMENT HEAVY CHAIN, ... | | Authors: | Dobritzsch, D, Lindh, I, Schneider, N, Uysal, H, Nandakumar, K.S, Burkhardt, H, Schneider, G, Holmdahl, R. | | Deposit date: | 2011-01-17 | | Release date: | 2011-12-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of an Arthritogenic Anticollagen Immune Complex.
Arthritis Rheum., 63, 2011
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2XRY
 | | X-ray structure of archaeal class II CPD photolyase from Methanosarcina mazei | | Descriptor: | DEOXYRIBODIPYRIMIDINE PHOTOLYASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Kiontke, S, Geisselbrecht, Y, Pokorny, R, Carell, T, Batschauer, A, Essen, L.O. | | Deposit date: | 2010-09-24 | | Release date: | 2011-09-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structures of an Archaeal Class II DNA Photolyase and its Complex with Uv-Damaged Duplex DNA.
Embo J., 30, 2011
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2LNA
 | | Solution NMR Structure of the mitochondrial inner membrane domain (residues 164-251), FtsH_ext, from the paraplegin-like protein AFG3L2 from Homo sapiens, Northeast Structural Genomics Consortium Target HR6741A | | Descriptor: | AFG3-like protein 2 | | Authors: | Ramelot, T.A, Yang, Y, Lee, H, Janua, H, Kohan, E, Shastry, R, Acton, T.B, Xiao, R, Everett, J.K, Prestegard, J.H, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG), Mitochondrial Protein Partnership (MPP) | | Deposit date: | 2011-12-20 | | Release date: | 2012-01-25 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR structure and MD simulations of the AAA protease intermembrane space domain indicates peripheral membrane localization within the hexaoligomer.
Febs Lett., 587, 2013
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7Z0P
 | | SARS-COV2 Main Protease in complex with inhibitor MG-131 | | Descriptor: | (1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, SODIUM ION | | Authors: | El Kilani, H, Hilgenfeld, R. | | Deposit date: | 2022-02-23 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease.
Molecules, 27, 2022
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2XRZ
 | | X-ray structure of archaeal class II CPD photolyase from Methanosarcina mazei in complex with intact CPD-lesion | | Descriptor: | ACETATE ION, COUNTERSTRAND-OLIGONUCLEOTIDE, CPD-COMPRISING OLIGONUCLEOTIDE, ... | | Authors: | Kiontke, S, Geisselbrecht, Y, Pokorny, R, Carell, T, Batschauer, A, Essen, L.O. | | Deposit date: | 2010-09-24 | | Release date: | 2011-09-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structures of an Archaeal Class II DNA Photolyase and its Complex with Uv-Damaged Duplex DNA.
Embo J., 30, 2011
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2XTB
 | | Crystal Structure of Trypanosoma brucei rhodesiense Adenosine Kinase Complexed with Activator | | Descriptor: | 4-[5-(4-PHENOXYPHENYL)-1H-PYRAZOL-3-YL]MORPHOLINE, ADENOSINE KINASE | | Authors: | Kuettel, S, Greenwald, J, Kostrewa, D, Ahmed, S, Scapozza, L, Perozzo, R. | | Deposit date: | 2010-10-05 | | Release date: | 2011-06-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structures of T. B. Rhodesiense Adenosine Kinase Complexed with Inhibitor and Activator: Implications for Catalysis and Hyperactivation.
Plos Negl Trop Dis, 5, 2011
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7ZEH
 | | Human cytosolic 5' nucleotidase IIIB in complex with 3,4-diF-Bn7Guanine | | Descriptor: | 1,2-ETHANEDIOL, 7-methylguanosine phosphate-specific 5'-nucleotidase, D-ribulose, ... | | Authors: | Kubacka, D, Kozarski, M, Baranowski, M.R, Wojcik, R, Jemielity, J, Kowalska, J, Basquin, J. | | Deposit date: | 2022-03-31 | | Release date: | 2022-05-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Substrate-Based Design of Cytosolic Nucleotidase IIIB Inhibitors and Structural Insights into Inhibition Mechanism.
Pharmaceuticals, 15, 2022
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3FGT
 | | Two chain form of the 66.3 kDa protein from mouse lacking the linker peptide | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lakomek, K, Dickmanns, A, Ficner, R. | | Deposit date: | 2008-12-08 | | Release date: | 2009-09-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Initial insight into the function of the lysosomal 66.3 kDa protein from mouse by means of X-ray crystallography
Bmc Struct.Biol., 9, 2009
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7ZCV
 | | Rgg144 of Streptococcus pneumoniae | | Descriptor: | Transcriptional regulator | | Authors: | Wallis, R, Girija, U.V, Yesilkaya, H. | | Deposit date: | 2022-03-29 | | Release date: | 2022-06-01 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-function analysis for the development of peptide inhibitors for a Gram-positive quorum sensing system.
Mol.Microbiol., 117, 2022
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2Y3M
 | | Structure of the extra-membranous domain of the secretin HofQ from Actinobacillus actinomycetemcomitans | | Descriptor: | FORMIC ACID, GLYCEROL, PROTEIN TRANSPORT PROTEIN HOFQ | | Authors: | Tarry, M, Jaaskelainen, M, Tuominen, H, Ihalin, R, Hogbom, M. | | Deposit date: | 2010-12-21 | | Release date: | 2011-04-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Extra-Membranous Domains of the Competence Protein Hofq Show DNA Binding, Flexibility and a Shared Fold with Type I Kh Domains.
J.Mol.Biol., 409, 2011
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2XDI
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7YZN
 | | Structure of C-terminally truncated aIF5B from Pyrococcus abyssi complexed with GTP | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Probable translation initiation factor IF-2, ... | | Authors: | Bourgeois, G, Schmitt, E, Mechulam, Y, Coureux, P.D, Kazan, R. | | Deposit date: | 2022-02-21 | | Release date: | 2022-06-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Role of aIF5B in archaeal translation initiation.
Nucleic Acids Res., 50, 2022
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7YYP
 | | Structure of aIF5B from Pyrococcus abyssi complexed with GDP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, NITRATE ION, Probable translation initiation factor IF-2 | | Authors: | Bourgeois, G, Schmitt, E, Mechulam, Y, Coureux, P.D, Kazan, R. | | Deposit date: | 2022-02-18 | | Release date: | 2022-06-29 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Role of aIF5B in archaeal translation initiation.
Nucleic Acids Res., 50, 2022
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2YOL
 | | West Nile Virus NS2B-NS3 protease in complex with 3,4- dichlorophenylacetyl-Lys-Lys-GCMA | | Descriptor: | (S)-6-amino-N-((S)-6-amino-1-(((1r,4S)-4-guanidinocyclohexyl)methylamino)-1-oxohexan-2-yl)-2-(2-(3,4-dichlorophenyl)acetamido)hexanamide, CHLORIDE ION, NICKEL (II) ION, ... | | Authors: | Hammamy, M.Z, Haase, C, Hammami, M, Hilgenfeld, R, Steinmetzer, T. | | Deposit date: | 2012-10-25 | | Release date: | 2013-03-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Development and Characterization of New Peptidomimetic Inhibitors of the West Nile Virus Ns2B-Ns3 Protease.
Chemmedchem, 8, 2013
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2Y8B
 | | VIM-7 with Oxidised. Structural and computational investigations of VIM-7: Insights into the substrate specificity of VIM metallo-beta- lactamases | | Descriptor: | METALLO-B-LACTAMASE, ZINC ION | | Authors: | Saradhi, P, Leiros, H.-K.S, Ahmad, R, Spencer, J, Leiros, I, Walsh, T.R, Sundsfjord, A, Samuelsen, O. | | Deposit date: | 2011-02-03 | | Release date: | 2011-06-15 | | Last modified: | 2011-08-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and Computational Investigations of Vim- 7: Insights Into the Substrate Specificity of Vim Metallo-Beta-Lactamases
J.Mol.Biol., 411, 2011
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2YLR
 | | SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: COMPLEX WITH NADP | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHENYLACETONE MONOOXYGENASE | | Authors: | Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A. | | Deposit date: | 2011-06-06 | | Release date: | 2011-06-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization.
J.Biol.Chem., 286, 2011
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2YHH
 | | Microvirin:mannobiose complex | | Descriptor: | MANNAN-BINDING LECTIN, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose | | Authors: | Hussan, S, Bewley, C.A, Clore, G.M, Gustchina, E, Ghirlando, R. | | Deposit date: | 2011-05-02 | | Release date: | 2011-06-15 | | Last modified: | 2020-07-29 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the Monovalent Lectin Microvirin in Complex with Man(Alpha)(1-2)Man Provides a Basis for Anti-HIV Activity with Low Toxicity.
J.Biol.Chem., 286, 2011
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2YQG
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1DXH
 | | Catabolic ornithine carbamoyltransferase from Pseudomonas aeruginosa | | Descriptor: | ORNITHINE CARBAMOYLTRANSFERASE, SULFATE ION | | Authors: | Sainz, G, Vicat, J, Kahn, R, Duee, E, Tricot, C, Stalon, V, Dideberg, O. | | Deposit date: | 2000-01-05 | | Release date: | 2001-01-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of the Allosteric Active Form of Catabolic Ornithine Carbamoyltransferase from Pseudomonas Aeruginosa
To be Published
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2YLT
 | | SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: COMPLEX WITH NADP and MES | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A. | | Deposit date: | 2011-06-06 | | Release date: | 2011-06-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization.
J.Biol.Chem., 286, 2011
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2Y67
 | | New 5-Benzylidenethiazolidine-4-one Inhibitors of Bacterial MurD Ligase: Design, Synthesis, Crystal Structures, and Biological Evaluation | | Descriptor: | (2R)-2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]sulfonylamino]pentanedioic acid, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE | | Authors: | Zidar, N, Tomasic, T, Sink, R, Kovac, A, Patin, D, Blanot, D, Contreras-Martel, C, Dessen, A, Muller-Premru, M, Zega, A, Gobec, S, Peterlin-Masic, L, Kikelj, D. | | Deposit date: | 2011-01-20 | | Release date: | 2011-10-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | New 5-Benzylidenethiazolidin-4-One Inhibitors of Bacterial Murd Ligase: Design, Synthesis, Crystal Structures, and Biological Evaluation.
Eur.J.Med.Chem, 46, 2011
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