8ADF
 
 | | X-ray crystal structure of PPAR gamma ligand binding domain in complex with CZ39 | | Descriptor: | (2R)-3-(4-bromophenyl)-2-(3-hydroxyphenyl)-4-oxidanyl-2H-furan-5-one, Peroxisome proliferator-activated receptor gamma | | Authors: | Capelli, D, Montanari, R, Pochetti, G, Meneghetti, F, Villa, S. | | Deposit date: | 2022-07-08 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Biological Screening and Crystallographic Studies of Hydroxy gamma-Lactone Derivatives to Investigate PPAR gamma Phosphorylation Inhibition.
Biomolecules, 13, 2023
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5UCU
 | | STRUCTURAL AND MECHANISTIC INSIGHTS INTO HEMOGLOBIN-CATALYZED HYDROGEN SULFIDE OXIDATION AND THE FATE OF POLYSULFIDE PRODUCTS | | Descriptor: | HYDROSULFURIC ACID, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Vitvitsky, V, Yadav, P.K, An, S, Seravalli, J, Cho, U.-S, Banerjee, R. | | Deposit date: | 2016-12-22 | | Release date: | 2017-03-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.797 Å) | | Cite: | Structural and Mechanistic Insights into Hemoglobin-catalyzed Hydrogen Sulfide Oxidation and the Fate of Polysulfide Products.
J. Biol. Chem., 292, 2017
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5YCT
 | | Engineered hairpin loop3 mutant monomer in Single-chain Monellin | | Descriptor: | Single chain Monellin | | Authors: | Surana, P, Nandwani, N, Udgaonkar, J.B, Gosavi, S, Das, R. | | Deposit date: | 2017-09-08 | | Release date: | 2018-11-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | A five-residue motif for the design of domain swapping in proteins.
Nat Commun, 10, 2019
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5UCH
 | | Hsp90b N-terminal domain with inhibitors | | Descriptor: | 2-(5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Peng, S, Balch, M, Matts, R, Deng, J. | | Deposit date: | 2016-12-22 | | Release date: | 2018-01-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.654 Å) | | Cite: | Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
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5U9N
 | | Second Bromodomain of cdg4_1340 from Cryptosporidium parvum, complexed with bromosporine | | Descriptor: | Bromo domain containing protein, Bromosporine, SULFATE ION | | Authors: | Hou, C.F.D, Lin, Y.H, Loppnau, P, Hutchinson, A, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-12-16 | | Release date: | 2017-01-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Second Bromodomain of cdg4_1340 from Cryptosporidium parvum, complexed with bromosporine
To be published
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5YF2
 | | Crystal structure of CARNMT1 bound to anserine and SAH | | Descriptor: | (2~{S})-2-(3-azanylpropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid, CALCIUM ION, Carnosine N-methyltransferase, ... | | Authors: | Cao, R, Li, H. | | Deposit date: | 2017-09-20 | | Release date: | 2018-08-01 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.802 Å) | | Cite: | Molecular basis for histidine N1 position-specific methylation by CARNMT1.
Cell Res., 28, 2018
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1KG6
 | | Crystal structure of the K142R mutant of E.coli MutY (core fragment) | | Descriptor: | A/G-specific adenine glycosylase, GLYCEROL, IRON/SULFUR CLUSTER, ... | | Authors: | Gilboa, R, Kilshtein, A, Zharkov, D.O, Kycia, J.H, Gerchman, S.E, Grollman, A.P, Shoham, G. | | Deposit date: | 2001-11-26 | | Release date: | 2002-11-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Analysis of the E.coli MutY DNA glycosylase structure and function by site-directed mutagenesis
To be Published
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1Q61
 | | PKA triple mutant model of PKB | | Descriptor: | N-OCTANOYL-N-METHYLGLUCAMINE, cAMP-dependent protein kinase inhibitor, alpha form, ... | | Authors: | Gassel, M, Breitenlechner, C.B, Rueger, P, Jucknischke, U, Schneider, T, Huber, R, Bossemeyer, D, Engh, R.A. | | Deposit date: | 2003-08-12 | | Release date: | 2003-09-30 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mutants of protein kinase A that mimic the ATP-binding site of protein kinase B (AKT)
J.Mol.Biol., 329, 2003
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1PXV
 | | The staphostatin-staphopain complex: a forward binding inhibitor in complex with its target cysteine protease | | Descriptor: | GUANIDINE, SULFATE ION, cysteine protease, ... | | Authors: | Filipek, R, Rzychon, M, Oleksy, A, Gruca, M, Dubin, A, Potempa, J, Bochtler, M. | | Deposit date: | 2003-07-07 | | Release date: | 2003-10-21 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Staphostatin-Staphopain Complex: A FORWARD BINDING INHIBITOR IN COMPLEX WITH ITS TARGET CYSTEINE PROTEASE.
J.Biol.Chem., 278, 2003
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8B3K
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8AHN
 | | Sin Nombre virus Gn in complex with Fab SNV-42 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope polyprotein, ... | | Authors: | Stass, R, Bowden, T.A. | | Deposit date: | 2022-07-22 | | Release date: | 2023-05-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mechanistic basis for potent neutralization of Sin Nombre hantavirus by a human monoclonal antibody.
Nat Microbiol, 8, 2023
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8B3Q
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5YEI
 | | Mechanistic insight into the regulation of Pseudomonas aeruginosa aspartate kinase | | Descriptor: | Aspartokinase, GLYCEROL, LYSINE, ... | | Authors: | Li, C, Yang, M, Liu, L, Peng, C, Li, T, He, L, Song, Y, Zhu, Y, Bao, R. | | Deposit date: | 2017-09-17 | | Release date: | 2018-08-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Mechanistic insights into the allosteric regulation of Pseudomonas aeruginosa aspartate kinase.
Biochem.J., 475, 2018
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8B3P
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8B3O
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5YHL
 | | Crystal structure of the human prostaglandin E receptor EP4 in complex with Fab and an antagonist Br-derivative | | Descriptor: | 4-[2-[[(2R)-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid, Heavy chain of Fab fragment, Light chain of Fab fragment, ... | | Authors: | Toyoda, Y, Morimoto, K, Suno, R, Horita, S, Iwata, S, Kobayashi, T. | | Deposit date: | 2017-09-28 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (4.2 Å) | | Cite: | Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface.
Nat. Chem. Biol., 15, 2019
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4NWD
 | | Crystal structure of the kainate receptor GluK3 ligand-binding domain in complex with the agonist (2S,4R)-4-(3-Methylamino-3-oxopropyl)glutamic acid at 2.6 A resolution | | Descriptor: | (4R)-4-[3-(methylamino)-3-oxopropyl]-L-glutamic acid, CHLORIDE ION, Glutamate receptor ionotropic, ... | | Authors: | Venskutonyte, R, Larsen, A.P, Frydenvang, K, Gajhede, M, Kastrup, J.S. | | Deposit date: | 2013-12-06 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Molecular Recognition of Two 2,4-syn-Functionalized (S)-Glutamate Analogues by the Kainate Receptor GluK3 Ligand Binding Domain.
Chemmedchem, 9, 2014
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5UFW
 | | Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1154 | | Descriptor: | (2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol, Estrogen receptor | | Authors: | Fanning, S.W, Hodges-Gallagher, L, Myles, D.C, Sun, R, Fowler, C.E, Green, B.D, Harmon, C.L, Greene, G.L, Kushner, P.J. | | Deposit date: | 2017-01-06 | | Release date: | 2018-01-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.583 Å) | | Cite: | Specific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity.
Nat Commun, 9, 2018
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1Q17
 | | Structure of the yeast Hst2 protein deacetylase in ternary complex with 2'-O-acetyl ADP ribose and histone peptide | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, CHLORIDE ION, HST2 protein, ... | | Authors: | Zhao, K, Chai, X, Marmorstein, R. | | Deposit date: | 2003-07-18 | | Release date: | 2003-11-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the Yeast Hst2 Protein Deacetylase in Ternary Complex with 2'-O-Acetyl
ADP Ribose and Histone Peptide.
Structure, 11, 2003
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1KF4
 | | Atomic Resolution Structure of RNase A at pH 6.3 | | Descriptor: | SULFATE ION, pancreatic ribonuclease | | Authors: | Berisio, R, Sica, F, Lamzin, V.S, Wilson, K.S, Zagari, A, Mazzarella, L. | | Deposit date: | 2001-11-19 | | Release date: | 2001-12-19 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Atomic resolution structures of ribonuclease A at six pH values.
Acta Crystallogr.,Sect.D, 58, 2002
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1KG4
 | | Crystal structure of the K142A mutant of E. coli MutY (core fragment) | | Descriptor: | A/G-specific adenine glycosylase, GLYCEROL, IRON/SULFUR CLUSTER, ... | | Authors: | Gilboa, R, Kilshtein, A, Zharkov, D.O, Kycia, J.H, Gerchman, S.E, Grollman, A.P, Shoham, G. | | Deposit date: | 2001-11-26 | | Release date: | 2002-11-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Analysis of the E.coli MutY DNA glycosylase structure and function by site-directed mutagenesis
To be Published
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1KHQ
 | | ORTHORHOMBIC FORM OF PAPAIN/ZLFG-DAM COVALENT COMPLEX | | Descriptor: | Papain, peptidic inhibitor | | Authors: | Janowski, R, Kozak, M, Jankowska, E, Grzonka, Z, Jaskolski, M. | | Deposit date: | 2001-11-30 | | Release date: | 2003-09-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Two polymorphs of a covalent complex between papain and a diazomethylketone inhibitor
J.Pept.Res., 64, 2004
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1KI7
 | | CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH 5-IODODEOXYURIDINE | | Descriptor: | 5-IODODEOXYURIDINE, SULFATE ION, THYMIDINE KINASE | | Authors: | Champness, J.N, Bennett, M.S, Wien, F, Visse, R, Summers, W.C, Sanderson, M.R. | | Deposit date: | 1998-05-15 | | Release date: | 1998-12-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands.
Proteins, 32, 1998
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5UG3
 | | NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN GID MUTANT A10V | | Descriptor: | Alpha-conotoxin GID | | Authors: | Hussein, A.K, Leffler, A.E, Zebroski, H.A, Powell, S.R, Kuryatov, A, Filipenko, P, Gorson, J, Heizmann, A, Lyskov, S, Nicke, A, Lindstrom, J, Rudy, B, Bonneau, R, Holford, M, Poget, S.F. | | Deposit date: | 2017-01-06 | | Release date: | 2017-09-06 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Discovery of peptide ligands through docking and virtual screening at nicotinic acetylcholine receptor homology models.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1KIM
 | | CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH DEOXYTHYMIDINE | | Descriptor: | SULFATE ION, THYMIDINE, THYMIDINE KINASE | | Authors: | Champness, J.N, Bennett, M.S, Wien, F, Brown, D.G, Visse, R, Sandhu, G, Davies, A, Rizkallah, P.J, Melitz, C, Summers, W.C, Sanderson, M.R. | | Deposit date: | 1997-11-12 | | Release date: | 1998-05-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands.
Proteins, 32, 1998
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