3ZVD
 
 | | 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 83 | | Descriptor: | 3C PROTEASE, ETHYL (5S,8S,11R)-8-BENZYL-5-(2-TERT-BUTOXY-2-OXOETHYL)-3,6,9-TRIOXO-11-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}-1-PHENYL-2-OXA-4,7,10-TRIAZATETRADECAN-14-OATE | | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | | Deposit date: | 2011-07-24 | | Release date: | 2012-08-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
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3ZRZ
 | | Crystal structure of the second and third fibronectin F1 modules in complex with a fragment of Streptococcus pyogenes SfbI-5 | | Descriptor: | FIBRONECTIN, FIBRONECTIN-BINDING PROTEIN, GLYCEROL, ... | | Authors: | Norris, N.C, Bingham, R.J, Potts, J.R. | | Deposit date: | 2011-06-21 | | Release date: | 2011-09-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and Functional Analysis of the Tandem Beta-Zipper Interaction of a Streptococcal Protein with Human Fibronectin.
J.Biol.Chem., 286, 2011
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3S24
 | | Crystal structure of human mRNA guanylyltransferase | | Descriptor: | SULFATE ION, mRNA-capping enzyme | | Authors: | Das, K, Chu, C, Thyminski, J.R, Bauman, J.D, Guan, R, Qiu, W, Montelione, G.T, Arnold, E, Shatkin, A.J. | | Deposit date: | 2011-05-16 | | Release date: | 2011-06-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.0137 Å) | | Cite: | Structure of the guanylyltransferase domain of human mRNA capping enzyme.
Proc.Natl.Acad.Sci.USA, 108, 2011
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5EM4
 | | Structure of CYP2B4 F244W in a ligand free conformation | | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Shah, M.B, Stout, C.D, Halpert, J.R. | | Deposit date: | 2015-11-05 | | Release date: | 2016-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations.
Biochemistry, 55, 2016
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5EUN
 | | The Crystal Structure of Human Kynurenine Aminotransferase II, PLP-bound form, at 1.83 A | | Descriptor: | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | | Authors: | Nematollahi, A, Sun, G, Kwan, A, Jeffries, C.M, Harrop, S.J, Hanrahan, J.R, Nadvi, N.A, Church, W.B. | | Deposit date: | 2015-11-18 | | Release date: | 2015-12-16 | | Last modified: | 2016-08-10 | | Method: | X-RAY DIFFRACTION (1.825 Å) | | Cite: | Structure of the PLP-Form of the Human Kynurenine Aminotransferase II in a Novel Spacegroup at 1.83 angstrom Resolution.
Int J Mol Sci, 17, 2016
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7R7P
 | | Immature HIV-1 CACTD-SP1 lattice with Bevirimat (BVM) and Inositol hexakisphosphate (IP6) | | Descriptor: | 3alpha-[(3-carboxy-3-methylbutanoyl)oxy]-8alpha,9beta,10alpha,13alpha,17alpha,19beta-lup-20(29)-en-28-oic acid, Gag polyprotein, INOSITOL HEXAKISPHOSPHATE | | Authors: | Sarkar, S, Zadrozny, K.K, Zadorozhnyi, R, Russell, R.W, Quinn, C.M, Kleinpeter, A, Ablan, S, Meshkin, H, Perilla, J.R, Ganser-Pornillos, B.K, Pornillos, O, Freed, E.O, Gronenborn, A.M, Polenova, T. | | Deposit date: | 2021-06-25 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-15 | | Method: | SOLID-STATE NMR | | Cite: | Structural basis of HIV-1 maturation inhibitor binding and activity.
Nat Commun, 14, 2023
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7R7Q
 | | Immature HIV-1 CACTD-SP1 lattice with Inositol hexakisphosphate (IP6) | | Descriptor: | Gag polyprotein, INOSITOL HEXAKISPHOSPHATE | | Authors: | Sarkar, S, Zadrozny, K.K, Zadorozhnyi, R, Russell, R.W, Quinn, C.M, Kleinpeter, A, Ablan, S, Meshkin, H, Perilla, J.R, Ganser-Pornillos, B.K, Pornillos, O, Freed, E.O, Gronenborn, A.M, Polenova, T. | | Deposit date: | 2021-06-25 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-15 | | Method: | SOLID-STATE NMR | | Cite: | Structural basis of HIV-1 maturation inhibitor binding and activity.
Nat Commun, 14, 2023
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5EYT
 | | Crystal Structure of Adenylosuccinate Lyase from Schistosoma mansoni in complex with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase | | Authors: | Romanello, L, Torini, J.R, Bird, L, Nettleship, J, Owens, R, Reddivari, Y, Brandao-Neto, J, Pereira, H.M. | | Deposit date: | 2015-11-25 | | Release date: | 2016-11-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3649 Å) | | Cite: | Structural and kinetic analysis of Schistosoma mansoni Adenylosuccinate Lyase (SmADSL).
Mol. Biochem. Parasitol., 214, 2017
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3DKM
 | | Crystal structure of the HECTD1 CPH domain | | Descriptor: | E3 ubiquitin-protein ligase HECTD1 | | Authors: | Walker, J.R, Qiu, L, Li, Y, Bountra, C, Wolkstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-06-25 | | Release date: | 2008-08-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of the CPH domain of the E3 ubiquitin-protein ligase HECTD1.
To be Published
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5HNK
 | | Crystal structure of T5Fen in complex intact substrate and metal ions. | | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*GP*CP*GP*TP*AP*CP*GP*C)-3'), Exodeoxyribonuclease, GLYCEROL, ... | | Authors: | Almalki, F.A, Feng, M, Zhang, J, Sedelnikova, S.E, Rafferty, J.B, Sayers, J.R, Artymiuk, P.J. | | Deposit date: | 2016-01-18 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Direct observation of DNA threading in flap endonuclease complexes.
Nat.Struct.Mol.Biol., 23, 2016
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4B9H
 | | Cladosporium fulvum LysM effector Ecp6 in complex with a beta-1,4- linked N-acetyl-D-glucosamine tetramer: I3C heavy atom derivative | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, ... | | Authors: | Saleem-Batcha, R, Sanchez-Vallet, A, Hansen, G, Thomma, B.P.H.J, Mesters, J.R. | | Deposit date: | 2012-09-04 | | Release date: | 2013-07-17 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Fungal Effector Ecp6 Outcompetes Host Immune Receptor for Chitin Binding Through Intrachain Lysm Dimerization
Elife, 2, 2013
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3GZM
 | | Crystal Structure of holo PfACP Reduced Monomer | | Descriptor: | 4'-PHOSPHOPANTETHEINE, Acyl carrier protein, BETA-MERCAPTOETHANOL, ... | | Authors: | Gallagher, J.R, Prigge, S.T. | | Deposit date: | 2009-04-07 | | Release date: | 2009-04-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Plasmodium falciparum acyl carrier protein crystal structures in disulfide-linked and reduced states and their prevalence during blood stage growth.
Proteins, 78, 2010
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5FJS
 | | Bacterial beta-glucosidase reveals the structural and functional basis of genetic defects in human glucocerebrosidase 2 (GBA2) | | Descriptor: | CALCIUM ION, GLUCOSYLCERAMIDASE | | Authors: | Charoenwattanasatien, R, Pengthaisong, S, Breen, I, Mutoha, R, Sansenya, S, Hua, Y, Tankrathok, A, Wu, L, Songsiriritthigul, C, Tanaka, H, Williams, S.J, Davies, G.J, Kurisu, G, Ketudat Cairns, J.R. | | Deposit date: | 2015-10-12 | | Release date: | 2016-05-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Bacterial Beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (Gba2)
Acs Chem.Biol., 11, 2016
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5F7J
 | | Crystal structure of Mutant N87T of adenosine/Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with Adenine | | Descriptor: | ADENINE, Methylthioadenosine phosphorylase, PHOSPHATE ION | | Authors: | Torini, J.R, Brandao-Neto, J, DeMarco, R, Pereira, H.M. | | Deposit date: | 2015-12-08 | | Release date: | 2016-12-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway.
PLoS Negl Trop Dis, 10, 2016
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5F7Z
 | | Crystal structure of Double Mutant S12T and N87T of Adenosine/Methylthioadenosine Phosphorylase from Schistosoma mansoni in APO Form | | Descriptor: | Methylthioadenosine phosphorylase, PHOSPHATE ION | | Authors: | Torini, J.R, Brandao-Neto, J, DeMarco, R, Pereira, H.M. | | Deposit date: | 2015-12-08 | | Release date: | 2016-12-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway.
PLoS Negl Trop Dis, 10, 2016
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3H8V
 | | Human Ubiquitin-activating Enzyme 5 in Complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Ubiquitin-like modifier-activating enzyme 5, ZINC ION | | Authors: | Walker, J.R, Bacik, J.P, Rastgoo, N, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-04-29 | | Release date: | 2009-05-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the human ubiquitin-activating enzyme 5 (UBA5) bound to ATP: mechanistic insights into a minimalistic E1 enzyme.
J.Biol.Chem., 285, 2010
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5F9O
 | | Crystal structure of broadly neutralizing VH1-46 germline-derived CD4-binding site-directed antibody CH235.09 in complex with HIV-1 clade A/E 93TH057 gp120 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CH235.09 Light chain, ... | | Authors: | Joyce, M.G, Mascola, J.R, Kwong, P.D. | | Deposit date: | 2015-12-10 | | Release date: | 2016-03-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Maturation Pathway from Germline to Broad HIV-1 Neutralizer of a CD4-Mimic Antibody.
Cell, 165, 2016
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4A33
 | | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND | | Descriptor: | 2,6-DICHLORO-4-(6-PIPERAZIN-1-YLPYRIDIN-3-YL)-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | | Authors: | Robinson, D.A, Brand, S, Cleghorn, L.A.T, McElroy, S.P, Smith, V.C, Hallyburton, I, Harrison, J.R, Norcross, N.R, Norval, S, Spinks, D, Stojanovski, L, Torrie, L.S, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Read, K.D, Wyatt, P.G, Gilbert, I.H. | | Deposit date: | 2011-09-29 | | Release date: | 2011-12-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
J. Med. Chem., 55, 2012
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3GUC
 | | Human Ubiquitin-activating Enzyme 5 in Complex with AMPPNP | | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ubiquitin-like modifier-activating enzyme 5, ZINC ION | | Authors: | Walker, J.R, Bacik, J.P, Li, Y, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-03-29 | | Release date: | 2009-05-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Human Ubiquitin-activating Enzyme 5 in Complex with AMPPNP
To be Published
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4B8V
 | | Cladosporium fulvum LysM effector Ecp6 in complex with a beta-1,4- linked N-acetyl-D-glucosamine tetramer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, ... | | Authors: | Saleem-Batcha, R, Sanchez-Vallet, A, Hansen, G, Thomma, B.P.H.J, Mesters, J.R. | | Deposit date: | 2012-08-30 | | Release date: | 2013-07-17 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Fungal Effector Ecp6 Outcompetes Host Immune Receptor for Chitin Binding Through Intrachain Lysm Dimerization
Elife, 2, 2013
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5H9M
 | | Crystal structure of siah2 SBD domain | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase SIAH2, PENTAETHYLENE GLYCOL, ... | | Authors: | Dong, A, Zhang, Q, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-12-28 | | Release date: | 2016-02-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.761 Å) | | Cite: | Crystal structure of siah2 SBD domain
to be published
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3GNG
 | | P21B crystal structure of R1-R7 of Murine MVP | | Descriptor: | Major vault protein | | Authors: | Querol-Audi, J, Casanas, A, Uson, I, Caston, J.R, Fita, I, Verdaguer, N. | | Deposit date: | 2009-03-17 | | Release date: | 2009-11-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The mechanism of vault opening from the high resolution structure of the N-terminal repeats of MVP
Embo J., 28, 2009
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4B6W
 | | Architecture of Trypanosoma brucei Tubulin-Binding cofactor B | | Descriptor: | 1,2-ETHANEDIOL, TUBULIN-SPECIFIC CHAPERONE | | Authors: | Fleming, J.R, Morgan, R.E, Fyfe, P.K, Kelly, S.M, Hunter, W.N. | | Deposit date: | 2012-08-15 | | Release date: | 2012-08-22 | | Last modified: | 2013-07-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The Architecture of Trypanosoma Brucei Tubulin-Binding Cofactor B and Implications for Function.
FEBS J., 280, 2013
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3GZL
 | | Crystal Structure of holo PfACP Disulfide-Linked Dimer | | Descriptor: | 4'-PHOSPHOPANTETHEINE, Acyl carrier protein | | Authors: | Gallagher, J.R, Prigge, S.T. | | Deposit date: | 2009-04-07 | | Release date: | 2009-04-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Plasmodium falciparum acyl carrier protein crystal structures in disulfide-linked and reduced states and their prevalence during blood stage growth.
Proteins, 78, 2010
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3H1D
 | | Structure of the HUWE1 HECT Domain | | Descriptor: | E3 ubiquitin-protein ligase HUWE1, SULFATE ION | | Authors: | Partridge, J.R, Schwartz, T.U. | | Deposit date: | 2009-04-11 | | Release date: | 2009-12-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.892 Å) | | Cite: | A structural element within the HUWE1 HECT domain modulates self-ubiquitination and substrate ubiquitination activities.
J.Biol.Chem., 285, 2010
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