6X99
 
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8PJA
 | | FKBP51FK1 F67E/K58 (i, i+9) in complex with SAFit1 | | Descriptor: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Meyners, C, Charalampidou, A, Hausch, F. | | Deposit date: | 2023-06-23 | | Release date: | 2024-03-06 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Automated Flow Peptide Synthesis Enables Engineering of Proteins with Stabilized Transient Binding Pockets.
Acs Cent.Sci., 10, 2024
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6NJJ
 | | Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770 | | Descriptor: | (4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Fox III, D, Fairman, J.W, Gurney, M.E. | | Deposit date: | 2019-01-03 | | Release date: | 2019-05-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders.
J.Med.Chem., 62, 2019
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1SW0
 | | Triosephosphate isomerase from Gallus gallus, loop 6 hinge mutant K174L, T175W | | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, Triosephosphate isomerase | | Authors: | Kursula, I, Salin, M, Sun, J, Norledge, B.V, Haapalainen, A.M, Sampson, N.S, Wierenga, R.K. | | Deposit date: | 2004-03-30 | | Release date: | 2004-08-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Understanding protein lids: structural analysis of active hinge mutants in triosephosphate isomerase
Protein Eng.Des.Sel., 17, 2004
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1SW3
 | | Triosephosphate isomerase from Gallus gallus, loop 6 mutant T175V | | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, Triosephosphate isomerase | | Authors: | Kursula, I, Salin, M, Sun, J, Norledge, B.V, Haapalainen, A.M, Sampson, N.S, Wierenga, R.K. | | Deposit date: | 2004-03-30 | | Release date: | 2004-08-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Understanding protein lids: structural analysis of active hinge mutants in triosephosphate isomerase
Protein Eng.Des.Sel., 17, 2004
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6HYI
 | | Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma cruzi at 1.4 A resolution in complex with inosine | | Descriptor: | INOSINE, Protein kinase A regulatory subunit | | Authors: | Volpato Santos, Y, Lorentzen, E, Basquin, J, Boshart, M. | | Deposit date: | 2018-10-22 | | Release date: | 2019-11-13 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.39944851 Å) | | Cite: | Purine nucleosides replace cAMP in allosteric regulation of PKA in trypanosomatid pathogens.
Elife, 12, 2024
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8PJ8
 | | FKBP51FK1 F67E/K60Orn (i, i+7) in complex with SAFit1 | | Descriptor: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Meyners, C, Charalampidou, A, Hausch, F. | | Deposit date: | 2023-06-23 | | Release date: | 2024-03-06 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Automated Flow Peptide Synthesis Enables Engineering of Proteins with Stabilized Transient Binding Pockets.
Acs Cent.Sci., 10, 2024
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1TFZ
 | | Structural basis for herbicidal inhibitor selectivity revealed by comparison of crystal structures of plant and mammalian 4-hydroxyphenylpyruvate dioxygenases | | Descriptor: | (1-TERT-BUTYL-5-HYDROXY-1H-PYRAZOL-4-YL)[6-(METHYLSULFONYL)-4'-METHOXY-2-METHYL-1,1'-BIPHENYL-3-YL]METHANONE, 4-hydroxyphenylpyruvate dioxygenase, FE (III) ION | | Authors: | Yang, C, Pflugrath, J.W, Camper, D.L, Foster, M.L, Pernich, D.J, Walsh, T.A. | | Deposit date: | 2004-05-27 | | Release date: | 2004-08-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for herbicidal inhibitor selectivity revealed by comparison of crystal structures of plant and Mammalian 4-hydroxyphenylpyruvate dioxygenases
Biochemistry, 43, 2004
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6NJI
 | | Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with T-49 | | Descriptor: | 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol, MAGNESIUM ION, ZINC ION, ... | | Authors: | Fox III, D, Fairman, J.W, Gurney, M.E. | | Deposit date: | 2019-01-03 | | Release date: | 2019-05-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders.
J.Med.Chem., 62, 2019
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4CPP
 | | CRYSTAL STRUCTURES OF CYTOCHROME P450-CAM COMPLEXED WITH CAMPHANE, THIOCAMPHOR, AND ADAMANTANE: FACTORS CONTROLLING P450 SUBSTRATE HYDROXYLATION | | Descriptor: | ADAMANTANE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Raag, R, Poulos, T.L. | | Deposit date: | 1990-05-18 | | Release date: | 1991-07-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal structures of cytochrome P-450CAM complexed with camphane, thiocamphor, and adamantane: factors controlling P-450 substrate hydroxylation.
Biochemistry, 30, 1991
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9C8J
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9C83
 | | X-ray crystal structure of AmpC beta-lactamase with inhibitor | | Descriptor: | AmpC Beta-lactamase, N-[(3M)-3-(5-chloro-1,2,3-thiadiazol-4-yl)phenyl]-5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-sulfonamide | | Authors: | Liu, F, Shoichet, B.K. | | Deposit date: | 2024-06-11 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase
To Be Published
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1SWU
 | | STREPTAVIDIN MUTANT Y43F | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, STREPTAVIDIN | | Authors: | Freitag, S, Le Trong, I, Klumb, L.A, Stayton, P.S, Stenkamp, R.E. | | Deposit date: | 1998-10-12 | | Release date: | 1999-11-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Atomic resolution structure of biotin-free Tyr43Phe streptavidin: what is in the binding site?
Acta Crystallogr.,Sect.D, 55, 1999
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1SU5
 | | Understanding protein lids: Structural analysis of active hinge mutants in triosephosphate isomerase | | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, GLYCEROL, SULFATE ION, ... | | Authors: | Kursula, I, Salin, M, Sun, J, Norledge, B.V, Haapalainen, A.M, Sampson, N.S, Wierenga, R.K. | | Deposit date: | 2004-03-26 | | Release date: | 2004-08-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Understanding protein lids: structural analysis of active hinge mutants in triosephosphate isomerase
Protein Eng.Des.Sel., 17, 2004
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1SW7
 | | Triosephosphate isomerase from Gallus gallus, loop 6 mutant K174N, T175S, A176S | | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, Triosephosphate isomerase | | Authors: | Kursula, I, Salin, M, Sun, J, Norledge, B.V, Haapalainen, A.M, Sampson, N.S, Wierenga, R.K. | | Deposit date: | 2004-03-30 | | Release date: | 2004-08-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Understanding protein lids: structural analysis of active hinge mutants in triosephosphate isomerase
Protein Eng.Des.Sel., 17, 2004
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6TS8
 | | Chaetomium thermophilum UDP-Glucose Glucosyl Transferase (UGGT) double cysteine mutant G177C/A786C. | | Descriptor: | UDP-glucose-glycoprotein glucosyltransferase-like protein | | Authors: | Roversi, P, Zitzmann, N, Ibba, R, Hensen, M, Chandran, A. | | Deposit date: | 2019-12-20 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (4.6 Å) | | Cite: | Clamping, bending, and twisting inter-domain motions in the misfold-recognizing portion of UDP-glucose: Glycoprotein glucosyltransferase.
Structure, 29, 2021
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1OIG
 | | The solution structure of the DPY module from the Dumpy protein | | Descriptor: | Dumpy, isoform Y | | Authors: | Wilkin, M.B, Becker, M.N, Mulvey, D, Phan, I, Chao, A, Cooper, K, Chung, H.J, Campbell, I.D, Baron, M, MacIntyre, R. | | Deposit date: | 2003-06-18 | | Release date: | 2003-06-26 | | Last modified: | 2018-06-20 | | Method: | SOLUTION NMR | | Cite: | Drosophila Dumpy is a Gigantic Extracellular Protein Required to Maintain Tension at Epidermal-Cuticle Attachment Sites
Curr.Biol., 10, 2000
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1PGC
 | | NMR Solution Structure of an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link in a DNA Dodecamer Duplex | | Descriptor: | 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3', CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II) | | Authors: | Wu, Y, Pradhan, P, Havener, J, Chaney, S.G, Campbel, S.L. | | Deposit date: | 2003-05-28 | | Release date: | 2004-07-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of an oxaliplatin 1,2-d(GG) intrastrand cross-link in a DNA dodecamer duplex
J.Mol.Biol., 341, 2004
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1TG5
 | | Crystal structures of plant 4-hydroxyphenylpyruvate dioxygenases complexed with DAS645 | | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, FE (II) ION, [1-TERT-BUTYL-3-(2,4-DICHLOROPHENYL)-5-HYDROXY-1H-PYRAZOL-4-YL][2-CHLORO-4-(METHYLSULFONYL)PHENYL]METHANONE | | Authors: | Yang, C, Pflugrath, J.W, Camper, D.L, Foster, M.L, Pernich, D.J, Walsh, T.A. | | Deposit date: | 2004-05-28 | | Release date: | 2004-08-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for herbicidal inhibitor selectivity revealed by comparison of crystal structures of plant and Mammalian 4-hydroxyphenylpyruvate dioxygenases
Biochemistry, 43, 2004
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1MM9
 | | Streptavidin Mutant with Insertion of Fibronectin Hexapeptide, including RGD | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Streptavidin | | Authors: | Le Trong, I, McDevitt, T.C, Nelson, K.E, Stayton, P.S, Stenkamp, R.E. | | Deposit date: | 2002-09-03 | | Release date: | 2003-05-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structural characterization and comparison of RGD cell-adhesion recognition sites engineered into streptavidin.
Acta Crystallogr.,Sect.D, 59, 2003
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1MOY
 | | Streptavidin Mutant with Osteopontin Hexapeptide Insertion Including RGD | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Streptavidin | | Authors: | Le Trong, I, McDevitt, T.C, Nelson, K.E, Stayton, P.S, Stenkamp, R.E. | | Deposit date: | 2002-09-10 | | Release date: | 2003-05-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural characterization and comparison of RGD cell-adhesion recognition sites engineered into streptavidin.
Acta Crystallogr.,Sect.D, 59, 2003
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1SQ7
 | | Understanding protein lids: Structural analysis of active hinge mutants in triosephosphate isomerase | | Descriptor: | Triosephosphate isomerase | | Authors: | Kursula, I, Salin, M, Sun, J, Norledge, B.V, Haapalainen, A.M, Sampson, N.S, Wierenga, R.K. | | Deposit date: | 2004-03-18 | | Release date: | 2004-08-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Understanding protein lids: structural analysis of active hinge mutants in triosephosphate isomerase
Protein Eng.Des.Sel., 17, 2004
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1SPQ
 | | Understanding protein lids: Structural analysis of active hinge mutants in triosephosphate isomerase | | Descriptor: | DI(HYDROXYETHYL)ETHER, Triosephosphate isomerase | | Authors: | Kursula, I, Salin, M, Sun, J, Norledge, B.V, Haapalainen, A.M, Sampson, N.S, Wierenga, R.K. | | Deposit date: | 2004-03-17 | | Release date: | 2004-08-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Understanding protein lids: structural analysis of active hinge mutants in triosephosphate isomerase
Protein Eng.Des.Sel., 17, 2004
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3R90
 | | Crystal structure of Malignant T cell-amplified sequence 1 protein | | Descriptor: | GLYCEROL, Malignant T cell-amplified sequence 1, SULFATE ION, ... | | Authors: | Hong, B, Dimov, S, Tempel, W, Tong, Y, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-03-24 | | Release date: | 2011-04-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of Malignant T cell-amplified sequence 1 protein
to be published
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1PG9
 | | NMR Solution Structure of an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link in a DNA Dodecamer Duplex | | Descriptor: | 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3', CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II) | | Authors: | Wu, Y, Pradhan, P, Havener, J, Chaney, S.G, Campbel, S.L. | | Deposit date: | 2003-05-28 | | Release date: | 2004-07-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of an oxaliplatin 1,2-d(GG) intrastrand cross-link in a DNA dodecamer duplex
J.Mol.Biol., 341, 2004
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