1F0F
 
 | | Cecropin A(1-8)-magainin 2(1-12) gig deletion modification in dodecylphosphocholine micelles | | Descriptor: | CECROPIN A-MAGAININ 2 HYBRID PEPTIDE | | Authors: | Oh, D, Shin, S.Y, Lee, S, Kim, Y. | | Deposit date: | 2000-05-16 | | Release date: | 2000-06-14 | | Last modified: | 2024-11-20 | | Method: | SOLUTION NMR | | Cite: | Role of the hinge region and the tryptophan residue in the synthetic antimicrobial peptides, cecropin A(1-8)-magainin 2(1-12) and its analogues, on their antibiotic activities and structures.
Biochemistry, 39, 2000
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4HNP
 | | Crystal structure of yeast 20S proteasome in complex with vinylketone carmaphycin analogue VNK1 | | Descriptor: | N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylhept-1-en-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide, N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylheptan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide, Proteasome component C1, ... | | Authors: | Trivella, D.B.B, Stein, M, Groll, M. | | Deposit date: | 2012-10-20 | | Release date: | 2014-01-29 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Enzyme inhibition by hydroamination: design and mechanism of a hybrid carmaphycin-syringolin enone proteasome inhibitor.
Chem.Biol., 21, 2014
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2YU7
 | | Solution structure of the SHP-1 C-terminal SH2 domain complexed with a tyrosine-phosphorylated peptide from NKG2A | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 6, natural killer group 2A | | Authors: | Kasai, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-04-05 | | Release date: | 2008-04-15 | | Last modified: | 2024-11-13 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the SHP-1 C-terminal SH2 domain complexed with a tyrosine-phosphorylated peptide from NKG2A
To be Published
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1F0H
 | | Cecropin A(1-8)-magainin 2(1-12) A2 in dodecylphosphocholine micelles | | Descriptor: | CECROPIN A-MAGAININ 2 HYBRID PEPTIDE | | Authors: | Oh, D, Shin, S.Y, Lee, S, Kim, Y. | | Deposit date: | 2000-05-16 | | Release date: | 2000-06-14 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | Role of the hinge region and the tryptophan residue in the synthetic antimicrobial peptides, cecropin A(1-8)-magainin 2(1-12) and its analogues, on their antibiotic activities and structures.
Biochemistry, 39, 2000
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3FMD
 | | Crystal Structure of Human Haspin with an Isoquinoline ligand | | Descriptor: | 1,2-ETHANEDIOL, N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE, NICKEL (II) ION, ... | | Authors: | Filippakopoulos, P, Eswaran, J, Keates, T, Burgess-Brown, N, Fedorov, O, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-12-21 | | Release date: | 2008-12-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Human Haspin with an Isoquinoline ligand
To be Published
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3OLC
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2RAZ
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4HNO
 | | High resolution crystal structure of DNA Apurinic/apyrimidinic (AP) endonuclease IV Nfo from Thermatoga maritima | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ... | | Authors: | Shin, D.S, Hosfield, D.J, Arvai, A.S, Tsutakawa, S.E, Tainer, J.A. | | Deposit date: | 2012-10-20 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.9194 Å) | | Cite: | Conserved Structural Chemistry for Incision Activity in Structurally Non-homologous Apurinic/Apyrimidinic Endonuclease APE1 and Endonuclease IV DNA Repair Enzymes.
J.Biol.Chem., 288, 2013
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6IDV
 | | Peptide Asparaginyl Ligases from Viola yedoensis | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | El Sahili, A, Hu, S, Lescar, J. | | Deposit date: | 2018-09-11 | | Release date: | 2019-05-15 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural determinants for peptide-bond formation by asparaginyl ligases.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5Y48
 | | Crystal structure of the complex of Ribosome inactivating protein from Momordica balsamina with Pyrimidine-2,4-dione at 1.70 Angstrom resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Ribosome inactivating protein, URACIL | | Authors: | Singh, P.K, Pandey, S, Iqbal, N, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2017-08-01 | | Release date: | 2017-09-20 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Binding and structural studies of the complexes of type 1 ribosome inactivating protein from Momordica balsamina with uracil and uridine.
Proteins, 87, 2019
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5Y8W
 | | Crystal Structure Analysis of the BRD4 | | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | | Deposit date: | 2017-08-21 | | Release date: | 2018-06-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
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2YQF
 | | Solution structure of the death domain of Ankyrin-1 | | Descriptor: | Ankyrin-1 | | Authors: | Tanabe, W, Suzuki, S, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-03-30 | | Release date: | 2008-04-01 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the death domain of Ankyrin-1
To be Published
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5YAS
 | | HYDROXYNITRILE LYASE COMPLEXED WITH HEXAFLUOROACETONE | | Descriptor: | 1,1,1,3,3,3-HEXAFLUOROPROPANEDIOL, PROTEIN (HYDROXYNITRILE LYASE), SULFATE ION | | Authors: | Zuegg, J, Wagner, U.G, Gugganig, M, Kratky, C. | | Deposit date: | 1999-03-15 | | Release date: | 1999-10-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase from Hevea brasiliensis.
Protein Sci., 8, 1999
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6IK8
 | | Crystal structure of tomato beta-galactosidase (TBG) 4 in complex with beta-1,6-galactobiose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactosidase, ... | | Authors: | Matsuyama, K, Nakae, S, Igarashi, K, Tada, T, Ishimaru, M. | | Deposit date: | 2018-10-15 | | Release date: | 2018-11-28 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Substrate-recognition mechanism of tomato beta-galactosidase 4 using X-ray crystallography and docking simulation.
Planta, 252, 2020
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3OIN
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6QFS
 | | Chargeless variant of the Cellulose-binding domain from Cellulomonas fimi | | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ... | | Authors: | Young, D.R, Hoejgaard, C, Messens, J, Winther, J.R. | | Deposit date: | 2019-01-10 | | Release date: | 2019-12-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Charge Interactions in a Highly Charge-depleted Protein
J.Am.Chem.Soc., 2021
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2RBQ
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4ECP
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7WXM
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6L4W
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5NAU
 | | Torpedo californica acetylcholinesterase in complex with a non-chiral donepezil-like compound 20 | | Descriptor: | (2~{E})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one, Acetylcholinesterase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Caliandro, R, Pesaresi, A, Lamba, D. | | Deposit date: | 2017-02-28 | | Release date: | 2018-05-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Kinetic and structural studies on the interactions of Torpedo californica acetylcholinesterase with two donepezil-like rigid analogues.
J Enzyme Inhib Med Chem, 33, 2018
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4QFE
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5U3B
 | | Pseudomonas aeruginosa LpxC in complex with NVS-LPXC-01 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(but-2-yn-1-yl)oxy]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | Authors: | Sprague, E.R. | | Deposit date: | 2016-12-01 | | Release date: | 2017-06-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design, Synthesis, and Properties of a Potent Inhibitor of Pseudomonas aeruginosa Deacetylase LpxC.
J. Med. Chem., 60, 2017
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4Z9O
 | | Crystal Structure of human GGT1 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Terzyan, S.S, Hanigan, M.H. | | Deposit date: | 2015-04-10 | | Release date: | 2015-06-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Human gamma-Glutamyl Transpeptidase 1: STRUCTURES OF THE FREE ENZYME, INHIBITOR-BOUND TETRAHEDRAL TRANSITION STATES, AND GLUTAMATE-BOUND ENZYME REVEAL NOVEL MOVEMENT WITHIN THE ACTIVE SITE DURING CATALYSIS.
J.Biol.Chem., 290, 2015
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6EV4
 | | Structure of wild type A. niger Fdc1 purified in the dark with prFMN in the iminium form | | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ... | | Authors: | Bailey, S.S, David, L, Payne, K.A.P. | | Deposit date: | 2017-11-01 | | Release date: | 2017-12-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis.
J. Biol. Chem., 293, 2018
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