1PTH
 
 | | The Structural Basis of Aspirin Activity Inferred from the Crystal Structure of Inactivated Prostaglandin H2 Synthase | | Descriptor: | 2-HYDROXYBENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Loll, P.J, Picot, D, Garavito, R.M. | | Deposit date: | 1995-04-11 | | Release date: | 1996-04-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | The structural basis of aspirin activity inferred from the crystal structure of inactivated prostaglandin H2 synthase.
Nat.Struct.Biol., 2, 1995
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2H3K
 | | Solution Structure of the first NEAT domain of IsdH | | Descriptor: | Haptoglobin-binding surface anchored protein | | Authors: | Pilpa, R.M, Fadeev, E.A, Villareal, V.A, Wong, M.A, Phillips, M, Clubb, R.T. | | Deposit date: | 2006-05-22 | | Release date: | 2006-08-22 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the NEAT (NEAr Transporter) domain from IsdH/HarA: the human hemoglobin receptor in Staphylococcus aureus.
J.Mol.Biol., 360, 2006
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3EKP
 | | Crystal Structure of the inhibitor Amprenavir (APV) in complex with a multi-drug resistant HIV-1 protease variant (L10I/G48V/I54V/V64I/V82A)Refer: FLAP+ in citation | | Descriptor: | ACETATE ION, PHOSPHATE ION, Protease, ... | | Authors: | Prabu-Jayabalan, M, King, N.M, Bandaranayake, R.M. | | Deposit date: | 2008-09-19 | | Release date: | 2009-09-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
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1JU6
 | | Human Thymidylate Synthase Complex with dUMP and LY231514, A Pyrrolo(2,3-d)pyrimidine-based Antifolate | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, PHOSPHATE ION, ... | | Authors: | Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M. | | Deposit date: | 2001-08-23 | | Release date: | 2001-09-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases.
J.Mol.Biol., 313, 2001
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1JER
 | | CUCUMBER STELLACYANIN, CU2+, PH 7.0 | | Descriptor: | COPPER (II) ION, CUCUMBER STELLACYANIN | | Authors: | Hart, P.J, Nersissian, A.M, Herrmann, R.G, Nalbandyan, R.M, Valentine, J.S, Eisenberg, D. | | Deposit date: | 1996-08-21 | | Release date: | 1997-02-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A missing link in cupredoxins: crystal structure of cucumber stellacyanin at 1.6 A resolution.
Protein Sci., 5, 1996
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2HG1
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6CFM
 | | Crystal Structure of the Human vaccinia-related kinase bound to a propynyl-pteridinone inhibitor | | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, CHLORIDE ION, GLYCEROL, ... | | Authors: | Counago, R.M, dos Reis, C.V, de Souza, G.P, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-15 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal Structure of the Human vaccinia-related kinase bound to a propynyl-pteridinone inhibitor
To Be Published
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4V5C
 | | Structure of the Thermus thermophilus 70S ribosome in complex with mRNA, paromomycin, acylated A-site tRNA, deacylated P-site tRNA, and E-site tRNA. | | Descriptor: | 16S ribosomal RNA, 23S Ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, ... | | Authors: | Voorhees, R.M, Weixlbaumer, A, Loakes, D, Kelley, A.C, Ramakrishnan, V. | | Deposit date: | 2009-03-24 | | Release date: | 2014-07-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Insights Into Substrate Stabilization from Snapshots of the Peptidyl Transferase Center of the Intact 70S Ribosome
Nat.Struct.Mol.Biol., 16, 2009
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3NK5
 | | Crystal structure of AqpZ mutant F43W | | Descriptor: | Aquaporin Z, octyl beta-D-glucopyranoside | | Authors: | Savage, D.F, O'Connell, J.D, Stroud, R.M, Finer-Moore, J.S. | | Deposit date: | 2010-06-18 | | Release date: | 2010-08-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural context shapes the aquaporin selectivity filter.
Proc.Natl.Acad.Sci.USA, 107, 2010
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6CD6
 | | Crystal Structure of the Human CAMKK1A in complex with GSK650394 | | Descriptor: | 2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 1 | | Authors: | Santiago, A.S, Counago, R.M, Righetto, G.L, Ramos, P.Z, Silva, P.N.B, Drewry, D, Elkins, J.M, Massirer, K.B, Arruda, P, Edwards, A.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-08 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of the Human CAMKK1A in complex with GSK650394
To be Published
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4W4T
 | | The crystal structure of the terminal R domain from the myxalamid PKS-NRPS biosynthetic pathway | | Descriptor: | ACETATE ION, MxaA | | Authors: | Tsai, S.C, Keasling, J.D, Luo, R, Barajas, J.F, Phelan, R.M, Schaub, A.J, Kliewer, J. | | Deposit date: | 2014-08-15 | | Release date: | 2015-08-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.845 Å) | | Cite: | Comprehensive Structural and Biochemical Analysis of the Terminal Myxalamid Reductase Domain for the Engineered Production of Primary Alcohols.
Chem.Biol., 22, 2015
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6CE2
 | | Crystal structure of Myotoxin I (MjTX-I) from Bothrops moojeni complexed to inhibitor suramin | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, Basic phospholipase A2 homolog 1 | | Authors: | Salvador, G.H.M, Fontes, M.R.M. | | Deposit date: | 2018-02-10 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural and functional characterization of suramin-bound MjTX-I from Bothrops moojeni suggests a particular myotoxic mechanism.
Sci Rep, 8, 2018
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6CQG
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6CTH
 | | Crystal Structure of Pathogenesis-related Protein 1G (PR-1G) Kinase Domain from Cacao | | Descriptor: | ACETATE ION, Concanavalin A-like lectin protein kinase family protein, MAGNESIUM ION, ... | | Authors: | Tosarini, T.R, Profeta, G.S, dos Reis, C.V, Counago, R.M, Massirer, K.B, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-03-23 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of Pathogenesis-related Protein 1G (PR-1G) Kinase Domain from Cacao
To Be Published
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4V5S
 | | The crystal structure of EF-Tu and G24A-tRNA-Trp bound to a cognate codon on the 70S ribosome. | | Descriptor: | 16S RRNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ... | | Authors: | Schmeing, T.M, Voorhees, R.M, Ramakrishnan, V. | | Deposit date: | 2010-12-07 | | Release date: | 2014-07-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | How Mutations in tRNA Distant from the Anticodon Affect the Fidelity of Decoding.
Nat.Struct.Mol.Biol., 18, 2011
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4V5D
 | | Structure of the Thermus thermophilus 70S ribosome in complex with mRNA, paromomycin, acylated A- and P-site tRNAs, and E-site tRNA. | | Descriptor: | 16S ribosomal RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ... | | Authors: | Voorhees, R.M, Weixlbaumer, A, Loakes, D, Kelley, A.C, Ramakrishnan, V. | | Deposit date: | 2009-03-24 | | Release date: | 2014-07-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Insights into substrate stabilization from snapshots of the peptidyl transferase center of the intact 70S ribosome.
Nat. Struct. Mol. Biol., 16, 2009
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4UTP
 | | Crystal structure of pneumococcal surface antigen PsaA in the Cd- bound, closed state | | Descriptor: | CADMIUM ION, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN | | Authors: | Luo, Z, Counago, R.M, Maher, M, Kobe, B. | | Deposit date: | 2014-07-22 | | Release date: | 2014-08-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dysregulation of transition metal ion homeostasis is the molecular basis for cadmium toxicity in Streptococcus pneumoniae.
Nat Commun, 6, 2015
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6CDZ
 | | E. coli thymidylate synthase mutant I264Am | | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2'-deoxy-5'-uridylic acid, ... | | Authors: | Finer-moore, J.S, Lee, T.T, Stroud, R.M. | | Deposit date: | 2018-02-09 | | Release date: | 2018-05-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A Single Mutation Traps a Half-Sites Reactive Enzyme in Midstream, Explaining Asymmetry in Hydride Transfer.
Biochemistry, 57, 2018
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3NTI
 | | Crystal structure of Tudor and Aubergine [R15(me2s)] complex | | Descriptor: | Maternal protein tudor, peptide from Aubergine | | Authors: | Liu, H.P, Huang, Y, Li, Z.Z, Gong, W.M, Xu, R.M. | | Deposit date: | 2010-07-05 | | Release date: | 2010-09-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for methylarginine-dependent recognition of Aubergine by Tudor
Genes Dev., 24, 2010
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3NTK
 | | Crystal structure of Tudor | | Descriptor: | Maternal protein tudor | | Authors: | Liu, H.P, Huang, Y, Li, Z.Z, Gong, W.M, Xu, R.M. | | Deposit date: | 2010-07-05 | | Release date: | 2010-09-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for methylarginine-dependent recognition of Aubergine by Tudor
Genes Dev., 24, 2010
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4UTO
 | | Crystal structure of pneumococcal surface antigen PsaA D280N in the Cd-bound, open state | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN | | Authors: | Luo, Z, Counago, R.M, Maher, M, Kobe, B. | | Deposit date: | 2014-07-22 | | Release date: | 2015-03-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Dysregulation of transition metal ion homeostasis is the molecular basis for cadmium toxicity in Streptococcus pneumoniae.
Nat Commun, 6, 2015
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6CL3
 | | LyeTxI-b, a synthetic peptide derived from Lycosa erythrognatha spider venom, shows potent antibiotic activity, in vitro and in vivo | | Descriptor: | Toxin LyeTx 1 | | Authors: | de Lima, M.E, dos Reis, P.V, Resende, J.M, Verly, R.M. | | Deposit date: | 2018-03-01 | | Release date: | 2018-05-30 | | Method: | SOLUTION NMR | | Cite: | LyeTxI-b, a Synthetic Peptide Derived FromLycosa erythrognathaSpider Venom, Shows Potent Antibiotic Activityin Vitroandin Vivo.
Front Microbiol, 9, 2018
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4UXV
 | | Cytoplasmic domain of bacterial cell division protein EzrA | | Descriptor: | SEPTATION RING FORMATION REGULATOR EZRA | | Authors: | Cleverley, R.M, Barrett, J.R, Basle, A, Khai-Bui, N, Hewitt, L, Solovyova, A, Xu, Z, Daniela, R.A, Dixon, N.E, Harry, E.J, Oakley, A.J, Vollmer, W, Lewis, R.J. | | Deposit date: | 2014-08-27 | | Release date: | 2014-10-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.961 Å) | | Cite: | Structure and Function of a Spectrin-Like Regulator of Bacterial Cytokinesis.
Nat.Commun., 5, 2014
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6CNK
 | | Structure of the 3alpha2beta stiochiometry of the human Alpha4Beta2 nicotinic receptor | | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Walsh Jr, R.M, Roh, S.H, Gharpure, A, Morales-Perez, C.L, Hibbs, R.E. | | Deposit date: | 2018-03-08 | | Release date: | 2018-05-02 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural principles of distinct assemblies of the human alpha 4 beta 2 nicotinic receptor.
Nature, 557, 2018
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6CCF
 | | Crystal Structure of the Human CAMKK1A in complex with Hesperadin | | Descriptor: | 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase kinase 1, N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]IMINO}METHYL)-2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE, ... | | Authors: | Santiago, A.S, Counago, R.M, dos Reis, C.V, Ramos, P.Z, Silva, P.N.B, Drewry, D, Elkins, J.M, Massirer, K.B, Arruda, P, Edwards, A.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-07 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of the Human CAMKK1A in complex with Hesperadin
To be Published
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