6WFK
 
 | | Crystal structure of human Naa50 in complex with CoA and an inhibitor (compound 4a) identified using DNA encoded library technology | | Descriptor: | (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, COENZYME A, N-alpha-acetyltransferase 50 | | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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6WFT
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4FPT
 | | Carbonic Anhydrase II in complex with ethyl (2Z,4R)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate | | Descriptor: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Di Pizio, A, Heine, A, Klebe, G. | | Deposit date: | 2012-06-22 | | Release date: | 2013-07-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders
To be Published
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4OKD
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4OLU
 | | Crystal structure of antibody VRC07 in complex with clade A/E 93TH057 HIV-1 gp120 core | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01, ... | | Authors: | Kwon, Y.D, Kwong, P.D. | | Deposit date: | 2014-01-25 | | Release date: | 2014-09-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | Enhanced Potency of a Broadly Neutralizing HIV-1 Antibody In Vitro Improves Protection against Lentiviral Infection In Vivo.
J.Virol., 88, 2014
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5NTI
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4OMC
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6WM5
 | | Structure of a phosphatidylinositol-phosphate synthase (PIPS) from Mycobacterium kansasii | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, 3,3',3''-phosphanetriyltripropanoic acid, ... | | Authors: | Belcher Dufrisne, M, Jorge, C.D, Timoteo, C.G, Petrou, V.I, Ashraf, K.U, Banerjee, S, Clarke, O.B, Santos, H, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS) | | Deposit date: | 2020-04-20 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.961 Å) | | Cite: | Structural and Functional Characterization of Phosphatidylinositol-Phosphate Biosynthesis in Mycobacteria.
J.Mol.Biol., 432, 2020
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1NLA
 | | Solution Structure of Switch Arc, a Mutant with 3(10) Helices Replacing a Wild-Type Beta-Ribbon | | Descriptor: | Transcriptional repressor arc | | Authors: | Cordes, M.H, Walsh, N.P, McKnight, C.J, Sauer, R.T. | | Deposit date: | 2003-01-06 | | Release date: | 2003-03-18 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of Switch Arc, a mutant with 3(10) helices replacing a wild-type beta-ribbon
J.Mol.Biol., 326, 2003
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6WMG
 | | Human Sun2 (500-717) | | Descriptor: | POTASSIUM ION, SUN domain-containing protein 2 | | Authors: | Cruz, V.E, Schwartz, T.U. | | Deposit date: | 2020-04-21 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Analysis of Different LINC Complexes Reveals Distinct Binding Modes.
J.Mol.Biol., 432, 2020
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5NW1
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(cyclobutanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 18) | | Descriptor: | (2~{S},4~{R})-1-[(2~{S})-2-(cyclobutylcarbonylamino)-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Gadd, M.S, Soares, P, Ciulli, A. | | Deposit date: | 2017-05-04 | | Release date: | 2017-09-20 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298).
J. Med. Chem., 61, 2018
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5NUQ
 | | Structural basis for maintenance of bacterial outer membrane lipid asymmetry | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Outer membrane protein F, Probable phospholipid-binding lipoprotein mlaA | | Authors: | Abellon-Ruiz, J, Kaptan, S.S, Basle, A, Claudi, B, Bumann, D, Kleinekathofer, U, van den Berg, B. | | Deposit date: | 2017-05-01 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for maintenance of bacterial outer membrane lipid asymmetry.
Nat Microbiol, 2, 2017
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6X5U
 | | Human Alpha-1,6-fucosyltransferase (FUT8) bound to GDP and NM5M2-Asn | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kadirvelraj, R, Wood, Z.A. | | Deposit date: | 2020-05-26 | | Release date: | 2020-10-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Characterizing human alpha-1,6-fucosyltransferase (FUT8) substrate specificity and structural similarities with related fucosyltransferases.
J.Biol.Chem., 295, 2020
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4ZQK
 | | Structure of the complex of human programmed death-1 (PD-1) and its ligand PD-L1. | | Descriptor: | Programmed cell death 1 ligand 1, Programmed cell death protein 1, SODIUM ION | | Authors: | Zak, K.M, Dubin, G, Holak, T.A. | | Deposit date: | 2015-05-10 | | Release date: | 2015-11-04 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure of the Complex of Human Programmed Death 1, PD-1, and Its Ligand PD-L1.
Structure, 23, 2015
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4ONR
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5NWE
 | | Complex of H275Y mutant variant of neuraminidase from H1N1 influenza virus with oseltamivir | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic 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: | Pachl, P, Pokorna, J. | | Deposit date: | 2017-05-05 | | Release date: | 2018-07-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Kinetic, Thermodynamic, and Structural Analysis of Drug Resistance Mutations in Neuraminidase from the 2009 Pandemic Influenza Virus.
Viruses, 10, 2018
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5NXA
 | | Crystal structure of Neanderthal Adenylosuccinate Lyase (ADSL)in complex with its products AICAR and fumarate | | Descriptor: | AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Adenylosuccinate lyase, CHLORIDE ION, ... | | Authors: | Van Laer, B, Kapp, U, Soler-Lopez, M, Leonard, G, Mueller-Dieckmann, C. | | Deposit date: | 2017-05-09 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular comparison of Neanderthal and Modern Human adenylosuccinate lyase.
Sci Rep, 8, 2018
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4OOX
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6WQY
 | | GH5-4 broad specificity endoglucanase from Bacteroides salanitronis | | Descriptor: | CHLORIDE ION, Cellulase, MAGNESIUM ION | | Authors: | Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G. | | Deposit date: | 2020-04-29 | | Release date: | 2020-11-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis.
J.Biol.Chem., 295, 2020
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4Z9M
 | | Crystal structure of human sarcomeric mitochondrial creatine kinase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Creatine kinase S-type, mitochondrial, ... | | Authors: | Rabeh, W.M, Tempel, W, Nedyalkova, L, Landry, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-04-10 | | Release date: | 2015-04-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of human sarcomeric mitochondrial creatine kinase
To Be Published
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3W3M
 | | Crystal structure of human TLR8 in complex with Resiquimod (R848) crystal form 2 | | Descriptor: | 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, ... | | Authors: | Tanji, H, Ohto, U, Shimizu, T. | | Deposit date: | 2012-12-22 | | Release date: | 2013-04-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands
Science, 339, 2013
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8TDQ
 | | SFX-XFEL structure of CYP121 cocrystallized with substrate cYY | | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Nguyen, R.C, Dasgupta, M, Bhowmick, A, Kern, J.F, Liu, A. | | Deposit date: | 2023-07-04 | | Release date: | 2023-11-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121.
J.Am.Chem.Soc., 145, 2023
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4OPO
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3W4Y
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8TDP
 | | Time-resolved SFX-XFEL crystal structure of CYP121 bound with cYY reacted with peracetic acid for 200 milliseconds | | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, HYDROGEN PEROXIDE, Mycocyclosin synthase, ... | | Authors: | Nguyen, R.C, Dasgupta, M, Bhowmick, A, Kern, J.F, Liu, A. | | Deposit date: | 2023-07-04 | | Release date: | 2023-11-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121.
J.Am.Chem.Soc., 145, 2023
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