8HYR
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2X1R
| Crystallographic binding studies with an engineered monomeric variant of triosephosphate isomerase | Descriptor: | 3-(PROPYLSULFONYL)PROPANOIC ACID, SULFATE ION, TRIOSEPHOSPHATE ISOMERASE, ... | Authors: | Salin, M, Kapetaniou, E.G, Vaismaa, M, Lajunen, M, Casteleijn, M.G, Neubauer, P, Salmon, L, Wierenga, R. | Deposit date: | 2010-01-04 | Release date: | 2010-01-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystallographic Binding Studies with an Engineered Monomeric Variant of Triosephosphate Isomerase Acta Crystallogr.,Sect.D, 66, 2010
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8JIG
| A Novel UHRF1-Targeted Compound | Descriptor: | E3 ubiquitin-protein ligase UHRF1, N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-N'-oxidanyl-octanediamide | Authors: | Chen, Y, Jiang, L. | Deposit date: | 2023-05-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Novel UHRF1-Targeted Compound To Be Published
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5Z8P
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6ST6
| Crystal Structure of Domain Swapped Trp Repressor V58I Variant | Descriptor: | ISOPROPYL ALCOHOL, Trp operon repressor | Authors: | Sprenger, J, Lawson, C.L, Carey, J, Drouard, F, von Wachenfeldt, C, Schulz, A, Linse, S, Lo Leggio, L. | Deposit date: | 2019-09-10 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structures of Val58Ile tryptophan repressor in a domain-swapped array in the presence and absence of L-tryptophan. Acta Crystallogr.,Sect.F, 77, 2021
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5OLD
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3RCD
| HER2 Kinase Domain Complexed with TAK-285 | Descriptor: | N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide, Receptor tyrosine-protein kinase erbB-2 | Authors: | Aertgeerts, K, Skene, R, Sogabe, S. | Deposit date: | 2011-03-30 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Design and Synthesis of Novel Human Epidermal Growth Factor Receptor 2 (HER2)/Epidermal Growth Factor Receptor (EGFR) Dual Inhibitors Bearing a Pyrrolo[3,2-d]pyrimidine Scaffold. J.Med.Chem., 54, 2011
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6GPC
| Crystal structure of the arginine-bound form of domain 1 from TmArgBP | Descriptor: | ARGININE, Amino acid ABC transporter, periplasmic amino acid-binding protein,Amino acid ABC transporter, ... | Authors: | Smaldone, G, Balasco, N, Ruggiero, A, Berisio, R, Vitagliano, L. | Deposit date: | 2018-06-05 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Domain communication in Thermotoga maritima Arginine Binding Protein unraveled through protein dissection. Int. J. Biol. Macromol., 119, 2018
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6SO5
| Homo sapiens WRB/CAML heterotetramer in complex with a TRC40 dimer | Descriptor: | ATPase ASNA1, Calcium signal-modulating cyclophilin ligand, Tail-anchored protein insertion receptor WRB, ... | Authors: | McDowell, M.A, Heimes, M, Wild, K, Flemming, D, Sinning, I. | Deposit date: | 2019-08-29 | Release date: | 2020-09-09 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structural Basis of Tail-Anchored Membrane Protein Biogenesis by the GET Insertase Complex. Mol.Cell, 80, 2020
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2UVZ
| Structure of PKA-PKB chimera complexed with C-Phenyl-C-(4-(9H-purin-6- yl)-phenyl)-methylamine | Descriptor: | (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Hunter, L.J, Boyle, R.G, Aherne, G.W, Garrett, M.D, Collins, I. | Deposit date: | 2007-03-15 | Release date: | 2007-05-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design J.Med.Chem., 50, 2007
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4L7D
| Structure of keap1 kelch domain with (1S,2R)-2-{[(1S)-5-methyl-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid | Descriptor: | (1S,2R)-2-{[(1S)-5-methyl-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1 | Authors: | Jnoff, E, Brookfield, F, Albrecht, C, Barker, J.J, Barker, O, Beaumont, E, Bromidge, S, Brooks, M, Ceska, T, Courade, J.P, Crabbe, T, Duclos, S, Fryatt, T, Jigorel, E, Kwong, J, Sands, Z, Smith, M.A. | Deposit date: | 2013-06-13 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex. Chemmedchem, 9, 2014
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2UVY
| Structure of PKA-PKB chimera complexed with methyl-(4-(9H-purin-6-yl)- benzyl)-amine | Descriptor: | CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, ... | Authors: | Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Hunter, L.J, Boyle, R.G, Aherne, G.W, Garrett, M.D, Collins, I. | Deposit date: | 2007-03-15 | Release date: | 2007-05-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design J.Med.Chem., 50, 2007
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2UW0
| Structure of PKA-PKB chimera complexed with 6-(4-(4-(4-Chloro-phenyl) -piperidin-4-yl)-phenyl)-9H-purine | Descriptor: | 6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Hunter, L.J, Boyle, R.G, Aherne, G.W, Garrett, M.D, Collins, I. | Deposit date: | 2007-03-15 | Release date: | 2007-05-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design J.Med.Chem., 50, 2007
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1EJ0
| FTSJ RNA METHYLTRANSFERASE COMPLEXED WITH S-ADENOSYLMETHIONINE, MERCURY DERIVATIVE | Descriptor: | FTSJ, MERCURY (II) ION, S-ADENOSYLMETHIONINE | Authors: | Bugl, H, Fauman, E.B, Staker, B.L, Zheng, F, Kushner, S.R, Saper, M.A, Bardwell, J.C.A, Jakob, U. | Deposit date: | 2000-02-29 | Release date: | 2000-08-30 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | RNA methylation under heat shock control. Mol.Cell, 6, 2000
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2UVX
| Structure of PKA-PKB chimera complexed with 7-azaindole | Descriptor: | 1H-PYRROLO[2,3-B]PYRIDINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Hunter, L.J, Boyle, R.G, Aherne, G.W, Garrett, M.D, Collins, I. | Deposit date: | 2007-03-15 | Release date: | 2007-05-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design J.Med.Chem., 50, 2007
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7F2J
| Crystal structure of AtFKBP53 FKBD in complex with rapamycin | Descriptor: | DI(HYDROXYETHYL)ETHER, Peptidyl-prolyl cis-trans isomerase FKBP53, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, ... | Authors: | Singh, A.K, Saharan, K, Vasudevan, D. | Deposit date: | 2021-06-11 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal packing reveals rapamycin-mediated homodimerization of an FK506-binding domain. Int.J.Biol.Macromol., 206, 2022
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5DWS
| Crystal Structure of ITCH WW3 domain in complex with TXNIP peptide | Descriptor: | E3 ubiquitin-protein ligase Itchy homolog, UNKNOWN ATOM OR ION, txnip | Authors: | Liu, Y, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-09-22 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal Structure of ITCH WW3 domain in complex with TXNIP peptide to be published
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1CFM
| CYTOCHROME F FROM CHLAMYDOMONAS REINHARDTII | Descriptor: | CYTOCHROME F, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Chi, Y.I, Huang, L.S, Zhang, Z, Fernandez-Velasco, J.G, Malkin, R, Berry, E.A. | Deposit date: | 1998-09-18 | Release date: | 1999-04-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray structure of a truncated form of cytochrome f from chlamydomonas reinhardtii. Biochemistry, 39, 2000
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4MVN
| Crystal structure of the staphylococcal serine protease SplA in complex with a specific phosphonate inhibitor | Descriptor: | Serine protease splA, [(1S)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl]phosphonic acid | Authors: | Zdzalik, M, Burchacka, E, Niemczyk, J.S, Pustelny, K, Popowicz, G.M, Wladyka, B, Dubin, A, Potempa, J, Sienczyk, M, Dubin, G, Oleksyszyn, J. | Deposit date: | 2013-09-24 | Release date: | 2014-01-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Development and binding characteristics of phosphonate inhibitors of SplA protease from Staphylococcus aureus. Protein Sci., 23, 2014
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4GHE
| Structure of Y257F variant of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum in complex with 4-nitrocatechol at 1.60 Ang resolution | Descriptor: | 4-NITROCATECHOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Kovaleva, E.G, Lipscomb, J.D. | Deposit date: | 2012-08-07 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for the role of tyrosine 257 of homoprotocatechuate 2,3-dioxygenase in substrate and oxygen activation. Biochemistry, 51, 2012
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4GHG
| Structure of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum in complex with HPCA at 1.50 Ang resolution | Descriptor: | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Kovaleva, E.G, Lipscomb, J.D. | Deposit date: | 2012-08-07 | Release date: | 2012-10-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis for the role of tyrosine 257 of homoprotocatechuate 2,3-dioxygenase in substrate and oxygen activation. Biochemistry, 51, 2012
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4FUA
| L-FUCULOSE-1-PHOSPHATE ALDOLASE COMPLEX WITH PGH | Descriptor: | BETA-MERCAPTOETHANOL, L-FUCULOSE-1-PHOSPHATE ALDOLASE, PHOSPHOGLYCOLOHYDROXAMIC ACID, ... | Authors: | Dreyer, M.K, Schulz, G.E. | Deposit date: | 1996-02-14 | Release date: | 1996-10-14 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Catalytic mechanism of the metal-dependent fuculose aldolase from Escherichia coli as derived from the structure. J.Mol.Biol., 259, 1996
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1BK0
| ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ACV-FE COMPLEX) | Descriptor: | FE (III) ION, ISOPENICILLIN N SYNTHASE, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Roach, P.L, Clifton, I.J, Hensgens, C.M.H, Shibata, N, Schofield, C.J, Hajdu, J, Baldwin, J.E. | Deposit date: | 1998-07-14 | Release date: | 1999-01-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of isopenicillin N synthase complexed with substrate and the mechanism of penicillin formation. Nature, 387, 1997
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1BLZ
| ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ACV-FE-NO COMPLEX) | Descriptor: | FE (III) ION, ISOPENICILLIN N SYNTHASE, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Roach, P.L, Clifton, I.J, Hensgens, C.M.H, Shibata, N, Schofield, C.J, Hajdu, J, Baldwin, J.E. | Deposit date: | 1998-07-22 | Release date: | 1999-01-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure of isopenicillin N synthase complexed with substrate and the mechanism of penicillin formation. Nature, 387, 1997
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1PMX
| INSULIN-LIKE GROWTH FACTOR-I BOUND TO A PHAGE-DERIVED PEPTIDE | Descriptor: | IGF-1 ANTAGONIST F1-1, Insulin-like growth factor IB | Authors: | Skelton, N.J. | Deposit date: | 2003-06-11 | Release date: | 2003-10-21 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Complex with a Phage Display-Derived Peptide Provides Insight into the Function of Insulin-like Growth Factor I Biochemistry, 42, 2003
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