2JH0
 
 | | Human Thrombin Hirugen Inhibitor complex | | Descriptor: | (2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ... | | Authors: | Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S. | | Deposit date: | 2007-02-19 | | Release date: | 2007-05-08 | | Last modified: | 2013-08-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design.
Bioorg.Med.Chem.Lett., 17, 2007
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7ZPT
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7ZPU
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8AFG
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2IIV
 | | Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor | | Descriptor: | (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Scapin, G, Weber, A.E, Biftu, T. | | Deposit date: | 2006-09-28 | | Release date: | 2006-11-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | (3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem.Lett., 17, 2007
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2JIC
 | | High resolution structure of xylanase-II from one micron beam experiment | | Descriptor: | XYLANASE-II | | Authors: | Moukhametzianov, R, Burghammer, M, Edwards, P.C, Petitdemange, S, Popov, D, Fransen, M, Schertler, G.F, Riekel, C. | | Deposit date: | 2007-02-27 | | Release date: | 2008-05-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Protein Crystallography with a Micrometre-Sized Synchrotron-Radiation Beam.
Acta Crystallogr.,Sect.D, 64, 2008
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2J5A
 | | Folding of S6 structures with divergent amino-acid composition: pathway flexibility within partly overlapping foldons | | Descriptor: | 30S RIBOSOMAL PROTEIN S6, SODIUM ION | | Authors: | Hansson, S, Olofsson, L, Hedberg, L, Oliveberg, M, Logan, D.T. | | Deposit date: | 2006-09-13 | | Release date: | 2006-10-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Folding of S6 Structures with Divergent Amino Acid Composition: Pathway Flexibility within Partly Overlapping Foldons.
J.Mol.Biol., 365, 2007
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6AX2
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2IOF
 | | Crystal structure of phosphonoacetaldehyde hydrolase with sodium borohydride-reduced substrate intermediate | | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, Phosphonoacetaldehyde hydrolase | | Authors: | Allen, K.A, Lahiri, S.D, Zhang, G, Dunaway-Mariano, D. | | Deposit date: | 2006-10-10 | | Release date: | 2007-07-17 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Diversification of function in the haloacid dehalogenase enzyme superfamily: The role of the cap domain in hydrolytic phosphoruscarbon bond cleavage.
Bioorg.Chem., 34, 2006
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2JG7
 | | Crystal structure of Seabream Antiquitin and Elucidation of its substrate specificity | | Descriptor: | ANTIQUITIN, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Tang, W.K, Wong, K.B, Cha, S.S, Lee, H.S, Cheng, C.H.K, Fong, W.P. | | Deposit date: | 2007-02-09 | | Release date: | 2008-05-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | The Crystal Structure of Seabream Antiquitin Reveals the Structural Basis of its Substrate Specificity.
FEBS Lett., 582, 2008
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2G5T
 | | Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ag | | Descriptor: | 3-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-4-CHLOROBENZOIC ACID, Dipeptidyl peptidase 4 | | Authors: | Longenecker, K.L, Fry, E.H, Lake, M.R, Solomon, L.R, Pei, Z, Li, X. | | Deposit date: | 2006-02-23 | | Release date: | 2006-07-04 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors.
J.Med.Chem., 49, 2006
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2GBO
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8AZG
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8AUZ
 | | Crystal structure of GSK3 beta (GSK3b) in complex with FL291. | | Descriptor: | 8-morpholin-4-yl-2-pyridin-3-yl-[1,3]oxazolo[5,4-f]quinoxaline, Glycogen synthase kinase-3 beta, SULFATE ION | | Authors: | Chaikuad, A, Mongin, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-08-26 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Oxazolo[5,4-f]quinoxaline-type selective inhibitors of glycogen synthase kinase-3 alpha (GSK-3 alpha ): Development and impact on temozolomide treatment of glioblastoma cells.
Bioorg.Chem., 134, 2023
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2GRX
 | | Crystal structure of TonB in complex with FhuA, E. coli outer membrane receptor for ferrichrome | | Descriptor: | 2-AMINO-VINYL-PHOSPHATE, 3-HYDROXY-TETRADECANOIC ACID, 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-[L-glycero-alpha-D-manno-heptopyranose-(1-5)]3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-6)-2-amino-2,3-dideoxy-alpha-D-glucoyranose-(1-6)-2-amino-2,3-dideoxy-alpha-D-glucoyranose, ... | | Authors: | Pawelek, P.D, Allaire, M, Coulton, J.W. | | Deposit date: | 2006-04-25 | | Release date: | 2006-06-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure of TonB in complex with FhuA, E. coli outer membrane receptor.
Science, 312, 2006
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8AV1
 | | Crystal structure of GSK3 beta (GSK3b) in complex with CD7. | | Descriptor: | 1,2-ETHANEDIOL, 2-pyridin-3-yl-8-thiomorpholin-4-yl-[1,3]oxazolo[5,4-f]quinoxaline, Glycogen synthase kinase-3 beta, ... | | Authors: | Chaikuad, A, Mongin, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-08-26 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Oxazolo[5,4-f]quinoxaline-type selective inhibitors of glycogen synthase kinase-3 alpha (GSK-3 alpha ): Development and impact on temozolomide treatment of glioblastoma cells.
Bioorg.Chem., 134, 2023
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2GYQ
 | | YcfI, a putative structural protein from Rhodopseudomonas palustris. | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, FE (III) ION, ... | | Authors: | Osipiuk, J, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-05-09 | | Release date: | 2006-06-13 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | X-ray crystal structure of YcfI protein, a putative structural protein from Rhodopseudomonas palustris.
To be Published
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6CD7
 | | Crystal structure of APH(2")-IVa in complex with plazomicin | | Descriptor: | (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-y l]oxy}-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide, APH(2'')-Id, CHLORIDE ION | | Authors: | Stogios, P.J, Evdokimova, E, Dong, A, Di Leo, R, Savchenko, A, Satchell, K.J, Joachimiak, J, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-02-08 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Plazomicin Retains Antibiotic Activity against Most Aminoglycoside Modifying Enzymes.
ACS Infect Dis, 4, 2018
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6CFB
 | | Isolation, Characterization, and Synthesis of the Barrettides: Disulfide-Containing Peptides from the Marine Sponge Geodia barretti | | Descriptor: | barrettide A | | Authors: | Rosengren, K.J, Carstens, B.B, Clark, R.J, Goransson, U. | | Deposit date: | 2018-02-14 | | Release date: | 2018-03-21 | | Last modified: | 2020-01-01 | | Method: | SOLUTION NMR | | Cite: | Isolation, Characterization, and Synthesis of the Barrettides: Disulfide-Containing Peptides from the Marine Sponge Geodia barretti.
J. Nat. Prod., 78, 2015
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2HDS
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2HDU
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7ZUT
 | | Penicillium expansum chimera loop1 | | Descriptor: | Antifungal protein, CHLORIDE ION, SULFATE ION | | Authors: | Gallego, F, Marina, A, Manzanares, P, Marcos, J.F, Giner Llorca, M. | | Deposit date: | 2022-05-13 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Rationally designed antifungal protein chimeras reveal new insights into structure-activity relationship.
Int.J.Biol.Macromol., 225, 2023
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7ZVH
 | | Penicillium expansum antifungal protein B | | Descriptor: | Antifungal protein, CHLORIDE ION | | Authors: | Gallego del Sol, F, Marina, A, Manzanares, P, Marcos, J.F, Giner Llorca, M. | | Deposit date: | 2022-05-16 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Rationally designed antifungal protein chimeras reveal new insights into structure-activity relationship.
Int.J.Biol.Macromol., 225, 2023
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7ZW2
 | | Penicillium expansum antifungal protein B | | Descriptor: | Antifungal protein, CHLORIDE ION | | Authors: | Gallego del Sol, F, Marina, A, Manzanares, P, Marcos, J.F, Giner Llorca, M. | | Deposit date: | 2022-05-18 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Rationally designed antifungal protein chimeras reveal new insights into structure-activity relationship.
Int.J.Biol.Macromol., 225, 2023
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7ZTF
 | | Penicillium expansum antifungal protein B | | Descriptor: | Antifungal protein, CHLORIDE ION, SODIUM ION | | Authors: | Gallego del Sol, F, Marina, A, Manzanares, P, Marcos, J.F, Giner Llorca, M. | | Deposit date: | 2022-05-10 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Rationally designed antifungal protein chimeras reveal new insights into structure-activity relationship.
Int.J.Biol.Macromol., 225, 2023
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