4H5R
 
 | | HSC70 NBD with Na, Cl and glycerol | | Descriptor: | CHLORIDE ION, GLYCEROL, Heat shock cognate 71 kDa protein, ... | | Authors: | Stec, B. | | Deposit date: | 2012-09-18 | | Release date: | 2014-03-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | New crystal structures of HSC-70 ATP binding domain confirm the role of individual binding pockets and suggest a new method of inhibition.
Biochimie, 108, 2015
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1DQI
 | | CRYSTAL STRUCTURE OF SUPEROXIDE REDUCTASE FROM P. FURIOSUS IN THE OXIDIZED STATE AT 1.7 ANGSTROMS RESOLUTION | | Descriptor: | FE (III) ION, SUPEROXIDE REDUCTASE | | Authors: | Yeh, A.P, Hu, Y, Jenney Jr, F.E, Adams, M.W.W, Rees, D.C. | | Deposit date: | 2000-01-04 | | Release date: | 2000-05-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structures of the superoxide reductase from Pyrococcus furiosus in the oxidized and reduced states.
Biochemistry, 39, 2000
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4H6T
 | | Crystal structure of prethrombin-2 mutant E14eA/D14lA/E18A/S195A | | Descriptor: | PHOSPHATE ION, Prothrombin | | Authors: | Pozzi, N, Chen, Z, Zapata, F, Pelc, L.A, Di Cera, E. | | Deposit date: | 2012-09-19 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Autoactivation of thrombin precursors.
J.Biol.Chem., 288, 2013
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5T4H
 | | Human DPP4 in complex with ligand 34n | | Descriptor: | 2-({2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5H-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile, 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. | | Deposit date: | 2016-08-29 | | Release date: | 2016-10-05 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Scaffold-hopping from xanthines to tricyclic guanines: A case study of dipeptidyl peptidase 4 (DPP4) inhibitors.
Bioorg.Med.Chem., 24, 2016
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6GF9
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1MN1
 | | MANGANESE PEROXIDASE SUBSTRATE BINDING SITE MUTANT D179N | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MANGANESE PEROXIDASE, ... | | Authors: | Sundaramoorthy, M, Poulos, T.L. | | Deposit date: | 1997-04-26 | | Release date: | 1997-09-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of substrate binding site mutants of manganese peroxidase.
J.Biol.Chem., 272, 1997
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5EF0
 | | RADIATION DAMAGE TO THE TRAP-RNA COMPLEX: DOSE (DWD) 16.7 MGy | | Descriptor: | (GAGUU)10GAG 53-NUCLEOTIDE RNA, TRYPTOPHAN, Transcription attenuation protein MtrB | | Authors: | Bury, C.S, McGeehan, J.E, Garman, E.F, Shevtsov, M.B. | | Deposit date: | 2015-10-23 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | RNA protects a nucleoprotein complex against radiation damage.
Acta Crystallogr D Struct Biol, 72, 2016
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4G4P
 | | Crystal structure of glutamine-binding protein from Enterococcus faecalis at 1.5 A | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Amino acid ABC transporter, amino acid-binding/permease protein, ... | | Authors: | Fulyani, F, Guskov, A, Zagar, A.V, Slotboom, D.-J, Poolman, B. | | Deposit date: | 2012-07-16 | | Release date: | 2013-07-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Functional Diversity of Tandem Substrate-Binding Domains in ABC Transporters from Pathogenic Bacteria.
Structure, 21, 2013
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5EEZ
 | | RADIATION DAMAGE TO THE TRAP-RNA COMPLEX: DOSE (DWD) 14.2 MGy | | Descriptor: | (GAGUU)10GAG 53-NUCLEOTIDE RNA, TRYPTOPHAN, Transcription attenuation protein MtrB | | Authors: | Bury, C.S, McGeehan, J.E, Garman, E.F, Shevtsov, M.B. | | Deposit date: | 2015-10-23 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | RNA protects a nucleoprotein complex against radiation damage.
Acta Crystallogr D Struct Biol, 72, 2016
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5YGX
 | | Structure of BACE1 in complex with N-(3-((4R,5R,6S)-2-amino-6-(1,1-difluoroethyl)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide | | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Nakahara, K, Fuchino, K, Komano, K, Asada, N, Tadano, G, Hasegawa, T, Yamamoto, T, Sako, Y, Ogawa, M, Unemura, C, Hosono, M, Sakaguchi, G, Ando, S, Ohnishi, S, Kido, Y, Fukushima, T, Dhuyvetter, D, Borghys, H, Gijsen, H, Yamano, Y, Iso, Y, Kusakabe, K. | | Deposit date: | 2017-09-27 | | Release date: | 2018-08-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of Potent and Centrally Active 6-Substituted 5-Fluoro-1,3-dihydro-oxazine beta-Secretase (BACE1) Inhibitors via Active Conformation Stabilization
J. Med. Chem., 61, 2018
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3PAH
 | | HUMAN PHENYLALANINE HYDROXYLASE CATALYTIC DOMAIN DIMER WITH BOUND ADRENALINE INHIBITOR | | Descriptor: | 4-[(1S)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol, FE (III) ION, PHENYLALANINE HYDROXYLASE | | Authors: | Erlandsen, H, Flatmark, T, Stevens, R.C. | | Deposit date: | 1998-08-20 | | Release date: | 1999-04-27 | | Last modified: | 2013-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic analysis of the human phenylalanine hydroxylase catalytic domain with bound catechol inhibitors at 2.0 A resolution.
Biochemistry, 37, 1998
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3OVQ
 | | Crystal Structure of hRPE and D-Ribulose-5-Phospate Complex | | Descriptor: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, FE (II) ION, RIBULOSE-5-PHOSPHATE, ... | | Authors: | Liang, W.G, Ouyang, S.Y, Shaw, N, Joachimiak, A, Zhang, R.G, Liu, Z.J. | | Deposit date: | 2010-09-17 | | Release date: | 2011-03-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Conversion of D-ribulose 5-phosphate to D-xylulose 5-phosphate: new insights from structural and biochemical studies on human RPE
Faseb J., 25, 2011
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2OID
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2CI0
 | | High throughput screening and x-ray crystallography assisted evaluation of small molecule scaffolds for CYP51 inhibitors | | Descriptor: | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Podust, L.M, Kim, Y, Yermalitskaya, L.V, Von Kries, J.P, Waterman, M.R. | | Deposit date: | 2006-03-16 | | Release date: | 2007-07-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography
Antimicrob.Agents Chemother., 51, 2007
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3T0B
 | | E. coli (LacZ) beta-galactosidase (S796T) IPTG complex | | Descriptor: | 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | | Authors: | Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E. | | Deposit date: | 2011-07-19 | | Release date: | 2012-01-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | er-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop
Arch.Biochem.Biophys., 517, 2012
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1JFH
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5NOW
 | | Structure of cyclophilin A in complex with pyridine-3,4-diamine | | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, pyridine-3,4-diamine | | Authors: | Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. | | Deposit date: | 2017-04-13 | | Release date: | 2017-07-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.
J. Mol. Biol., 429, 2017
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7Y10
 | | Crystal structure of AtSFH5-Sec14 in complex with DPPA | | Descriptor: | 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, NICKEL (II) ION, Phosphatidylinositol/phosphatidylcholine transfer protein SFH5 | | Authors: | Lu, Y.Q, Wang, X.Q, Luo, Z.P, Wu, J.W. | | Deposit date: | 2022-06-06 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Arabidopsis Sec14 proteins (SFH5 and SFH7) mediate interorganelle transport of phosphatidic acid and regulate chloroplast development.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7XWG
 | | RSGSGG-AtPRT6 UBR box | | Descriptor: | E3 ubiquitin-protein ligase PRT6, ZINC ION | | Authors: | Kim, L, Song, H.K. | | Deposit date: | 2022-05-26 | | Release date: | 2023-05-31 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.832 Å) | | Cite: | Structural analyses of plant PRT6-UBR box for Cys-Arg/N-degron pathway and insights into the plant submergence resistance
To Be Published
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7XWF
 | | RLGSGG-AtPRT6 UBR box (highest resolution) | | Descriptor: | E3 ubiquitin-protein ligase PRT6, ZINC ION | | Authors: | Kim, L, Song, H.K. | | Deposit date: | 2022-05-26 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.451 Å) | | Cite: | Structural analyses of plant PRT6-UBR box for Cys-Arg/N-degron pathway and insights into the plant submergence resistance
To Be Published
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7XWE
 | | RRGSGG-AtPRT6 UBR box | | Descriptor: | E3 ubiquitin-protein ligase PRT6, MAGNESIUM ION, ZINC ION | | Authors: | Kim, L, Song, H.K. | | Deposit date: | 2022-05-26 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.598 Å) | | Cite: | Structural analyses of plant PRT6-UBR box for Cys-Arg/N-degron pathway and insights into the plant submergence resistance
To Be Published
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5NIJ
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5V9H
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7Y70
 | | RLGSGG-AtPRT6 UBR box (P4332) | | Descriptor: | E3 ubiquitin-protein ligase PRT6, ZINC ION | | Authors: | Kim, L, Song, H.K. | | Deposit date: | 2022-06-21 | | Release date: | 2023-07-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Structural analyses of plant PRT6-UBR box for Cys-Arg/N-degron pathway and insights into the plant submergence resistance
To Be Published
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2CII
 | | The crystal structure of H-2Db complexed with a partial peptide epitope suggests an MHC Class I assembly-intermediate | | Descriptor: | BETA-2-MICROGLOBULIN, GLYCEROL, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN D-B ALPHA CHAIN, ... | | Authors: | Glithero, A, Tormo, J, Doering, K, Kojima, M, Jones, E.Y, Elliott, T. | | Deposit date: | 2006-03-21 | | Release date: | 2006-03-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | The crystal structure of H-2D(b) complexed with a partial peptide epitope suggests a major histocompatibility complex class I assembly intermediate.
J. Biol. Chem., 281, 2006
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