5TNB
 
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S,L536S) in Complex with the OBHS-BSC, 4-bromophenyl (1R,2R,4S)-6-(4-(2-(dimethylamino)ethoxy)phenyl)-5-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | | Descriptor: | 4-bromophenyl (1S,2R,4S)-6-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor | | Authors: | Nwachukwu, J.C, Sharma, N, Carlson, K.E, Srinivasan, S, Sharma, A, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-13 | | Release date: | 2017-02-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Exploring the Structural Compliancy versus Specificity of the Estrogen Receptor Using Isomeric Three-Dimensional Ligands.
ACS Chem. Biol., 12, 2017
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5L2U
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5AQ9
 | | DARPin-based Crystallization Chaperones exploit Molecular Geometry as a Screening Dimension in Protein Crystallography | | Descriptor: | MALTOSE-BINDING PERIPLASMIC PROTEIN, OFF7_DB08V4 | | Authors: | Batyuk, A, Wu, Y, Honegger, A, Heberling, M, Plueckthun, A. | | Deposit date: | 2015-09-21 | | Release date: | 2016-03-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Darpin-Based Crystallization Chaperones Exploit Molecular Geometry as a Screening Dimension in Protein Crystallography
J.Mol.Biol., 428, 2016
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6F8Z
 | | Structure of the family GH92 alpha-mannosidase BT3130 from Bacteroides thetaiotaomicron | | Descriptor: | 1,2-ETHANEDIOL, Alpha-1,2-mannosidase, putative, ... | | Authors: | Thompson, A.J, Spears, R.J, Zhu, Y, Suits, M.D.L, Williams, S.J, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2017-12-13 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Bacteroides thetaiotaomicron generates diverse alpha-mannosidase activities through subtle evolution of a distal substrate-binding motif.
Acta Crystallogr D Struct Biol, 74, 2018
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6VDN
 | | HCV NS3/4A protease A156T mutant | | Descriptor: | GLYCEROL, Non-structural protein 4A, Serine protease NS3, ... | | Authors: | Timm, J, Schiffer, C.A. | | Deposit date: | 2019-12-27 | | Release date: | 2020-12-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | apo HCV protease A156T
To Be Published
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7Y52
 | | Crystal structure of peptidyl-tRNA hydrolase from Enterococcus faecium | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Peptidyl-tRNA hydrolase, ... | | Authors: | Pandey, R, Zohib, M, Mundra, S, Pal, R.K, Arora, A. | | Deposit date: | 2022-06-16 | | Release date: | 2024-01-17 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Characterization of structure of peptidyl-tRNA hydrolase from Enterococcus faecium and its inhibition by a pyrrolinone compound.
Int.J.Biol.Macromol., 275, 2024
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6MO5
 | | Co-Crystal structure of P. aeruginosa LpxC-50228 complex | | Descriptor: | MAGNESIUM ION, N-[(2S)-1-(hydroxyamino)-3-methyl-3-{[(oxetan-3-yl)methyl]sulfonyl}-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase | | Authors: | Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R. | | Deposit date: | 2018-10-04 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
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6GJE
 | | Structure of the Amnionless(20-357)-Cubilin(36-135) complex | | Descriptor: | Cubilin, Protein amnionless | | Authors: | Larsen, C, Etzerodt, A, Madsen, M, Skjoedt, K, Moestrup, S.K, Andersen, C.B.F. | | Deposit date: | 2018-05-16 | | Release date: | 2018-12-19 | | Last modified: | 2019-06-12 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural assembly of the megadalton-sized receptor for intestinal vitamin B12uptake and kidney protein reabsorption.
Nat Commun, 9, 2018
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5AQW
 | | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | | Descriptor: | (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 1,2-ETHANEDIOL, ... | | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | | Deposit date: | 2015-09-22 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
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5G3L
 | | ESCHERICHIA COLI HEAT LABILE ENTEROTOXIN TYPE IIB B-PENTAMER COMPLEXED WITH SIALYLATED SUGAR | | Descriptor: | HEAT-LABILE ENTEROTOXIN IIB, B CHAIN, N-acetyl-alpha-neuraminic acid, ... | | Authors: | Zalem, D, Benktander, J, Ribeiro, J.P, Varrot, A, Lebens, M, Imberty, A, Teneberg, S. | | Deposit date: | 2016-04-29 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Biochemical and Structural Characterization of the Novel Sialic Acid-Binding Site of Escherichia Coli Heat-Labile Enterotoxin Lt-Iib.
Biochem.J., 473, 2016
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5G38
 | | PsbO subunit of Photosystem II, beta barrel domain at 100K, pH 6 | | Descriptor: | CALCIUM ION, PHOTOSYSTEM II MANGANESE-STABILIZING POLYPEPTIDE | | Authors: | Bommer, M, Bondar, A.N, Zouni, A, Dobbek, H, Dau, H. | | Deposit date: | 2016-04-24 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Crystallographic and Computational Analysis of the Barrel Part of the Psbo Protein of Photosystem II -Carboxylate-Water Clusters as Putative Proton Transfer Relays and Structural Switches
Biochemistry, 55, 2016
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6GLJ
 | | Crystal structure of hMTH1 F27A in complex with TH scaffold 1 in the absence of acetate | | Descriptor: | 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | | Deposit date: | 2018-05-23 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.301 Å) | | Cite: | hMTH1 F27A in complex with TH scaffold 1.
To Be Published
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6FTP
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5TGG
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6GNM
 | | Crystal Structure Of Sea Bream Transthyretin in complex with 2,2',4,4'-tetrahydroxybenzophenone (BP2) | | Descriptor: | Transthyretin, bis(2,4-dihydroxyphenyl)methanone | | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | | Deposit date: | 2018-05-31 | | Release date: | 2018-07-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
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5G53
 | | Structure of the adenosine A2A receptor bound to an engineered G protein | | Descriptor: | ADENOSINE RECEPTOR A2A, ENGINEERED DOMAIN OF HUMAN G ALPHA S LONG ISOFORM, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Carpenter, B, Nehme, R, Warne, T, Leslie, A.G.W, Tate, C.G. | | Deposit date: | 2016-05-19 | | Release date: | 2016-08-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structure of the Adenosine A2A Receptor Bound to an Engineered G Protein
Nature, 536, 2016
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1A9E
 | | DECAMER-LIKE CONFORMATION OF A NANO-PEPTIDE BOUND TO HLA-B3501 DUE TO NONSTANDARD POSITIONING OF THE C-TERMINUS | | Descriptor: | BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, B-35 B*3501 (ALPHA CHAIN), ... | | Authors: | Menssen, R, Orth, P, Ziegler, A, Saenger, W. | | Deposit date: | 1998-04-05 | | Release date: | 1998-10-21 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Decamer-like conformation of a nona-peptide bound to HLA-B*3501 due to non-standard positioning of the C terminus.
J.Mol.Biol., 285, 1999
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5A0G
 | | N-terminal thioester domain of surface protein from Clostridium perfringens | | Descriptor: | SURFACE ANCHORED PROTEIN | | Authors: | Walden, M, Edwards, J.M, Dziewulska, A.M, Kan, S.-Y, Schwarz-Linek, U, Banfield, M.J. | | Deposit date: | 2015-04-20 | | Release date: | 2015-06-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | An internal thioester in a pathogen surface protein mediates covalent host binding.
Elife, 4, 2015
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6FUT
 | | Complement factor D in complex with the inhibitor (S)-3'-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,1'-biphenyl]-3-carboxamide | | Descriptor: | 3-[3-(aminomethyl)phenyl]-~{N}-[(1~{S})-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide, Complement factor D, SUCCINIC ACID | | Authors: | Mac Sweeney, A, Vulpetti, A, Erbel, P, Lorthiois, E, Maibaum, J, Randl, S. | | Deposit date: | 2018-02-27 | | Release date: | 2018-06-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9, 2018
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6SQ2
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5G1P
 | | Aspartate transcarbamoylase domain of human CAD bound to carbamoyl phosphate | | Descriptor: | CAD PROTEIN, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER | | Authors: | Ruiz-Ramos, A, Grande-Garcia, A, Moreno-Morcillo, M.D, Ramon-Maiques, S. | | Deposit date: | 2016-03-29 | | Release date: | 2016-06-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Structure and Functional Characterization of Human Aspartate Transcarbamoylase, the Target of the Anti-Tumoral Drug Pala.
Structure, 24, 2016
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6BGF
 | | Crystal structure of cysteine-bound ferrous form of the crosslinked human cysteine dioxygenase | | Descriptor: | CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ... | | Authors: | Liu, A, Li, J, Shin, I. | | Deposit date: | 2017-10-28 | | Release date: | 2017-12-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.251 Å) | | Cite: | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat.Chem.Biol., 14, 2018
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6MTO
 | | Crystal structure of VRC42.01 Fab in complex with T117-F MPER scaffold | | Descriptor: | Antibody VRC42.01 Fab heavy chain, Antibody VRC42.01 Fab light chain, VRC42 epitope T117-F scaffold | | Authors: | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D. | | Deposit date: | 2018-10-21 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.634 Å) | | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
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6MTR
 | | Crystal structure of VRC43.01 Fab | | Descriptor: | Antibody VRC43.01 Fab heavy chain, Antibody VRC43.01 Fab light chain | | Authors: | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D. | | Deposit date: | 2018-10-21 | | Release date: | 2019-03-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
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6SSL
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