7ZYF
 
 | | Insulin regulated aminopeptidase (IRAP) in complex with a nanomolar alpha hydroxy beta amino acid based inhibitor. | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Mpakali, A, Stratikos, E, Giastas, P, Papakyriakou, A. | | Deposit date: | 2022-05-24 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Discovery of Selective Nanomolar Inhibitors for Insulin-Regulated Aminopeptidase Based on alpha-Hydroxy-beta-amino Acid Derivatives of Bestatin.
J.Med.Chem., 65, 2022
|
|
2INZ
 | | Crystal Structure of Aldose Reductase complexed with 2-Hydroxyphenylacetic Acid | | Descriptor: | (2-HYDROXYPHENYL)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Harrison, D.H.T, Pape, E, Carlson, E, Brownlee, J.M. | | Deposit date: | 2006-10-09 | | Release date: | 2006-11-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and thermodynamic studies of simple aldose reductase-inhibitor complexes.
Bioorg.Chem., 34, 2006
|
|
7TC2
 | | Human APE1 in complex with 5-nitroindole-2-carboxylic acid | | Descriptor: | 1,2-ETHANEDIOL, 5-nitro-1H-indole-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Pidugu, L.S, Pozharski, E, Drohat, A.C. | | Deposit date: | 2021-12-22 | | Release date: | 2022-12-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Characterizing inhibitors of human AP endonuclease 1.
Plos One, 18, 2023
|
|
7ZM3
 | | Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclipostin-like inhibitor CyC17 | | Descriptor: | 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, SULFATE ION, hexadecyl dihydrogen phosphate | | Authors: | Barelier, S, Roig-Zamboni, V, Cavalier, J.F, Sulzenbacher, G. | | Deposit date: | 2022-04-19 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis.
Febs J., 290, 2023
|
|
7ZM4
 | | Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclipostin-like inhibitor CyC31 | | Descriptor: | 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, SULFATE ION, undecyl dihydrogen phosphate | | Authors: | Barelier, S, Roig-Zamboni, V, Cavalier, J.F, Sulzenbacher, G. | | Deposit date: | 2022-04-19 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis.
Febs J., 290, 2023
|
|
1X6M
 | | Crystal structure of the glutathione-dependent formaldehyde-activating enzyme (Gfa) | | Descriptor: | GLYCEROL, Glutathione-dependent formaldehyde-activating enzyme, SULFATE ION, ... | | Authors: | Neculai, A.M, Neculai, D, Vorholt, J.A, Becker, S. | | Deposit date: | 2004-08-11 | | Release date: | 2004-11-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A dynamic zinc redox switch
J.Biol.Chem., 280, 2005
|
|
2ICQ
 | | urate oxidase under 2.0 MPa pressure of nitrous oxide | | Descriptor: | 8-AZAXANTHINE, CYSTEINE, NITROUS OXIDE, ... | | Authors: | Colloc'h, N, Sopkova-de Oliveira Santos, J, Retailleau, P, Prange, T, Abraini, J.H. | | Deposit date: | 2006-09-13 | | Release date: | 2007-02-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Protein Crystallography under Xenon and Nitrous Oxide Pressure: Comparison with In Vivo Pharmacology Studies and Implications for the Mechanism of Inhaled Anesthetic Action
Biophys.J., 92, 2007
|
|
1XH9
 | | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | | Descriptor: | (R,R)-2,3-BUTANEDIOL, N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, ... | | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | | Deposit date: | 2004-09-17 | | Release date: | 2005-09-17 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
|
|
7ZM1
 | | Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclophostin-like inhibitor CyC7b | | Descriptor: | 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, SULFATE ION, methoxy-[(~{E},3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]tridec-11-enyl]phosphinous acid | | Authors: | Barelier, S, Roig-Zamboni, V, Cavalier, J.F, Sulzenbacher, G. | | Deposit date: | 2022-04-19 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis.
Febs J., 290, 2023
|
|
7TCV
 | | VDAC K12E mutant | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Voltage-dependent anion-selective channel protein 1 | | Authors: | Khan, F, Abramson, J. | | Deposit date: | 2021-12-28 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.604 Å) | | Cite: | Dynamical control of the mitochondrial beta-barrel channel VDAC by electrostatic and mechanical coupling
To Be Published
|
|
1YQD
 | | Sinapyl Alcohol Dehydrogenase complexed with NADP+ | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Bomati, E.K, Noel, J.P. | | Deposit date: | 2005-02-01 | | Release date: | 2005-07-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural and Kinetic Basis for Substrate Selectivity in Populus tremuloides Sinapyl Alcohol Dehydrogenase.
Plant Cell, 17, 2005
|
|
1YQX
 | | Sinapyl Alcohol Dehydrogenase at 2.5 Angstrom Resolution | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION, sinapyl alcohol dehydrogenase | | Authors: | Bomati, E.K, Noel, J.P. | | Deposit date: | 2005-02-02 | | Release date: | 2005-07-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and Kinetic Basis for Substrate Selectivity in Populus tremuloides Sinapyl Alcohol Dehydrogenase.
Plant Cell, 17, 2005
|
|
2IUL
 | | Human tACE g13 mutant | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ANGIOTENSIN-CONVERTING ENZYME, ... | | Authors: | Watermeyer, J.M, Sewell, B.T, Natesh, R, Corradi, H.R, Acharya, K.R, Sturrock, E.D. | | Deposit date: | 2006-06-06 | | Release date: | 2006-10-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structure of Testis Ace Glycosylation Mutants and Evidence for Conserved Domain Movement.
Biochemistry, 45, 2006
|
|
2IK7
 | | Yeast inorganic pyrophosphatase variant D120N with magnesium and phosphate | | Descriptor: | Inorganic pyrophosphatase, MAGNESIUM ION, PHOSPHATE ION | | Authors: | Oksanen, E, Ahonen, A.K, Tuominen, H, Tuominen, V, Lahti, R, Goldman, A, Heikinheimo, P. | | Deposit date: | 2006-10-02 | | Release date: | 2007-02-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Complete Structural Description of the Catalytic Cycle of Yeast Pyrophosphatase.
Biochemistry, 46, 2007
|
|
7ZGO
 | | Cryo-EM structure of human NKCC1 (TM domain) | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CHLORIDE ION, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Nissen, P, Fenton, R, Neumann, C, Lindtoft Rosenbaek, L, Kock Flygaard, R, Habeck, M, Lykkegaard Karlsen, J, Wang, Y, Lindorff-Larsen, K, Gad, H, Hartmann, R, Lyons, J. | | Deposit date: | 2022-04-04 | | Release date: | 2022-10-05 | | Last modified: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (2.55 Å) | | Cite: | Cryo-EM structure of the human NKCC1 transporter reveals mechanisms of ion coupling and specificity.
Embo J., 41, 2022
|
|
1YJI
 | | RDC-refined Solution NMR structure of reduced putidaredoxin | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin | | Authors: | Jain, N.U, Tjioe, E, Savidor, A, Boulie, J. | | Deposit date: | 2005-01-14 | | Release date: | 2005-06-28 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Redox-dependent structural differences in putidaredoxin derived from homologous structure refinement via residual dipolar couplings.
Biochemistry, 44, 2005
|
|
1YJJ
 | | RDC-refined Solution NMR structure of oxidized putidaredoxin | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin | | Authors: | Jain, N.U, Tjioe, E, Savidor, A, Boulie, J. | | Deposit date: | 2005-01-14 | | Release date: | 2005-06-28 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Redox-dependent structural differences in putidaredoxin derived from homologous structure refinement via residual dipolar couplings.
Biochemistry, 44, 2005
|
|
7TAY
 | | Bos Taurus Mitochondrial BC1 in complex with Pyramoxadone | | Descriptor: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate, (5S)-3-anilino-5-methyl-5-(6-phenoxypyridin-3-yl)-1,3-oxazolidine-2,4-dione, 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ... | | Authors: | Xia, D, Zhou, F, Esser, L. | | Deposit date: | 2021-12-21 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Conformation Switch of Rieske ISP subunit is revealed by the Crystal Structure of Bacterial Cytochrome bc1 in Complex with Azoxystrobin
to be published
|
|
8CTK
 | |
1YK1
 | | structure of natriuretic peptide receptor-C complexed with brain natriuretic peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Atrial natriuretic peptide clearance receptor, ... | | Authors: | He, X, Garcia, K.C. | | Deposit date: | 2005-01-16 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural determinants of natriuretic peptide receptor specificity and degeneracy.
J.Mol.Biol., 361, 2006
|
|
1YO1
 | | Proton Transfer from His200 in Human Carbonic Anhydrase II | | Descriptor: | Carbonic anhydrase II, SULFATE ION, ZINC ION | | Authors: | Bhatt, D, Tu, C, Fisher, S.Z, Hernandez Prada, J.A, McKenna, R, Silverman, D.N. | | Deposit date: | 2005-01-26 | | Release date: | 2005-09-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Proton transfer in a Thr200His mutant of human carbonic anhydrase II
Proteins, 61, 2005
|
|
7TCE
 | | Crystal structure of delta sub IV Rhodobacter Sphaeroides bc1 with the antimalarial drug atovaquone. | | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione, Cytochrome b, ... | | Authors: | Esser, L, Xia, D, Zhou, F. | | Deposit date: | 2021-12-23 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.85 Å) | | Cite: | Crystal structure of delta sub IV Rhodobacter Sphaeroides bc1 with the antimalarial drug atovaquone.
To Be Published
|
|
7TAI
 | | Structure of STEAP2 in complex with ligands | | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CHOLESTEROL, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Wang, L, Chen, K.H, Zhou, M. | | Deposit date: | 2021-12-20 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Mechanism of stepwise electron transfer in six-transmembrane epithelial antigen of the prostate (STEAP) 1 and 2.
Elife, 12, 2023
|
|
1YPB
 | |
1YSW
 | | Solution structure of the anti-apoptotic protein Bcl-2 complexed with an acyl-sulfonamide-based ligand | | Descriptor: | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-2 | | Authors: | Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H. | | Deposit date: | 2005-02-09 | | Release date: | 2005-06-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
|
|
