1CLI
 
 | | X-RAY CRYSTAL STRUCTURE OF AMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE (PURM), FROM THE E. COLI PURINE BIOSYNTHETIC PATHWAY, AT 2.5 A RESOLUTION | | Descriptor: | PROTEIN (PHOSPHORIBOSYL-AMINOIMIDAZOLE SYNTHETASE), SULFATE ION | | Authors: | Li, C, Kappock, T.J, Stubbe, J, Weaver, T.M, Ealick, S.E. | | Deposit date: | 1999-04-28 | | Release date: | 1999-10-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | X-ray crystal structure of aminoimidazole ribonucleotide synthetase (PurM), from the Escherichia coli purine biosynthetic pathway at 2.5 A resolution.
Structure Fold.Des., 7, 1999
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6GNU
 | | Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a Quionlinyl aryl sulphonamide ligand | | Descriptor: | 4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA | | Authors: | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | | Deposit date: | 2018-05-31 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.
J. Med. Chem., 61, 2018
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5L4L
 | | polyketide ketoreductase SimC7 - ternary complex with NADP+ and 7-oxo-SD8 | | Descriptor: | 7-oxo-simocyclinone D8, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Schafer, M, Stevenson, C.E.M, Wilkinson, B, Lawson, D.M, Buttner, M.J. | | Deposit date: | 2016-05-25 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Substrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate.
Cell Chem Biol, 23, 2016
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1D6O
 | | NATIVE FKBP | | Descriptor: | AMMONIUM ION, PROTEIN (FK506-BINDING PROTEIN), SULFATE ION | | Authors: | Burkhard, P, Taylor, P, Walkinshaw, M.D. | | Deposit date: | 1999-10-15 | | Release date: | 1999-10-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | X-ray structures of small ligand-FKBP complexes provide an estimate for hydrophobic interaction energies.
J.Mol.Biol., 295, 2000
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1CG5
 | | DEOXY FORM HEMOGLOBIN FROM DASYATIS AKAJEI | | Descriptor: | PROTEIN (HEMOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Chong, K.T, Morimoto, H. | | Deposit date: | 1999-03-26 | | Release date: | 1999-04-01 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structures of the deoxy and CO forms of haemoglobin from Dasyatis akajei, a cartilaginous fish.
Acta Crystallogr.,Sect.D, 55, 1999
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1CG8
 | | CO Form Hemoglobin from Dasyatis Akajei | | Descriptor: | CARBON MONOXIDE, PROTEIN (HEMOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Chong, K.T, Morimoto, H. | | Deposit date: | 1999-03-26 | | Release date: | 1999-04-01 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of the deoxy and CO forms of haemoglobin from Dasyatis akajei, a cartilaginous fish.
Acta Crystallogr.,Sect.D, 55, 1999
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1D3U
 | | TATA-BINDING PROTEIN/TRANSCRIPTION FACTOR (II)B/BRE+TATA-BOX COMPLEX FROM PYROCOCCUS WOESEI | | Descriptor: | DNA 23-MER: BRE+TATA-BOX, DNA 24-MER: BRE+TATA-BOX, TATA-BINDING PROTEIN, ... | | Authors: | Littlefield, O, Korkhin, Y, Sigler, P.B. | | Deposit date: | 1999-10-01 | | Release date: | 1999-11-15 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The structural basis for the oriented assembly of a TBP/TFB/promoter complex.
Proc.Natl.Acad.Sci.USA, 96, 1999
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1D4L
 | | HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR | | Descriptor: | (10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENESULFONYL-1''-AMINO-3''-METHYLBUTYL)ETHYL]-8,11-DIOXO-10-ISOPROPYL-2-OXA-9,12-DIAZABICYCLO [13.2.2]NONADECA-15,17,18-TRIENE, HIV-1 PROTEASE, SULFATE ION | | Authors: | Tyndall, J.D, Reid, R.C, Tyssen, D.P, Jardine, D.K, Todd, B, Passmore, M, March, D.R, Pattenden, L.K, Alewood, D, Hu, S.H, Alewood, P.F, Birch, C.J, Martin, J.L, Fairlie, D.P. | | Deposit date: | 1999-10-04 | | Release date: | 2000-10-11 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Synthesis, stability, antiviral activity, and protease-bound structures of substrate-mimicking constrained macrocyclic inhibitors of HIV-1 protease.
J.Med.Chem., 43, 2000
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1D5C
 | | CRYSTAL STRUCTURE OF PLASMODIUM FALCIPARUM RAB6 COMPLEXED WITH GDP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAB6 GTPASE | | Authors: | Chattopadhyay, D, Langsley, G, Carson, M, Recacha, R, DeLucas, L, Smith, C. | | Deposit date: | 1999-10-06 | | Release date: | 2000-08-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the nucleotide-binding domain of Plasmodium falciparum rab6 in the GDP-bound form.
Acta Crystallogr.,Sect.D, 56, 2000
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5L9W
 | | Crystal structure of the Apc core complex | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, Acetophenone carboxylase alpha subunit, ... | | Authors: | Warkentin, E, Weidenweber, S, Ermler, U. | | Deposit date: | 2016-06-11 | | Release date: | 2017-01-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of the acetophenone carboxylase core complex: prototype of a new class of ATP-dependent carboxylases/hydrolases.
Sci Rep, 7, 2017
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5XNH
 | | Crystal structure of the branched-chain polyamine synthase (BpsA) in complex with spermidine | | Descriptor: | FE (III) ION, N(4)-bis(aminopropyl)spermidine synthase, SPERMIDINE | | Authors: | Mizohata, E, Tse, K.M, Fujita, J, Inoue, T. | | Deposit date: | 2017-05-22 | | Release date: | 2017-10-04 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Active site geometry of a novel aminopropyltransferase for biosynthesis of hyperthermophile-specific branched-chain polyamine.
FEBS J., 284, 2017
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6R26
 | | The photosensory core module (PAS-GAF-PHY) of the bacterial phytochrome Agp1 (AtBphP1) locked in a Pr-like state | | Descriptor: | 3-[2-[(~{Z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Bacteriophytochrome protein, CALCIUM ION | | Authors: | Scheerer, P, Michael, N, Lamparter, T, Krauss, N. | | Deposit date: | 2019-03-15 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Crystal structures of the photosensory core module of bacteriophytochrome Agp1 reveal pronounced structural flexibility of this protein in the red-absorbing Pr state
To Be Published
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5L58
 | | Crystal structure of Iso-citrate Dehydrogenase 1 [IDH1 (R132H)] in complex with a novel inhibitor (Compound 2) | | Descriptor: | 2-[(3~{R})-1-[6-cyclohexylsulfanyl-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]pyrrolidin-3-yl]ethanoic acid, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Levy, C. | | Deposit date: | 2016-05-28 | | Release date: | 2016-12-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.04 Å) | | Cite: | Discovery and Optimization of Allosteric Inhibitors of Mutant Isocitrate Dehydrogenase 1 (R132H IDH1) Displaying Activity in Human Acute Myeloid Leukemia Cells.
J.Med.Chem., 59, 2016
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6R27
 | | Crystallographic superstructure of the photosensory core module (PAS-GAF-PHY) of the bacterial phytochrome Agp1 (AtBphP1) locked in a Pr-like state | | Descriptor: | 3-[2-[(~{Z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Bacteriophytochrome protein | | Authors: | Scheerer, P, Michael, N, Lamparter, T, Krauss, N. | | Deposit date: | 2019-03-15 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Crystal structures of the photosensory core module of bacteriophytochrome Agp1 reveal pronounced structural flexibility of this protein in the red-absorbing Pr state
To Be Published
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1CQZ
 | | CRYSTAL STRUCTURE OF MURINE SOLUBLE EPOXIDE HYDROLASE. | | Descriptor: | EPOXIDE HYDROLASE | | Authors: | Argiriadi, M.A, Morisseau, C, Hammock, B.D, Christianson, D.W. | | Deposit date: | 1999-08-12 | | Release date: | 1999-11-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Detoxification of environmental mutagens and carcinogens: structure, mechanism, and evolution of liver epoxide hydrolase.
Proc.Natl.Acad.Sci.USA, 96, 1999
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6H6S
 | | Sad phasing on nickel-substituted human carbonic anhydrase II | | Descriptor: | Carbonic anhydrase 2, NICKEL (II) ION | | Authors: | Calderone, V, Fragai, M, Silva, J.P, Luchinat, C, Ravera, E, Geraldes, C.F.G.C, Macedo, A.L, Cerofolini, L, Giuntini, S. | | Deposit date: | 2018-07-30 | | Release date: | 2019-01-09 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Non-crystallographic symmetry in proteins: Jahn-Teller-like and Butterfly-like effects?
J. Biol. Inorg. Chem., 24, 2019
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3IA2
 | | Pseudomonas fluorescens esterase complexed to the R-enantiomer of a sulfonate transition state analog | | Descriptor: | (2R)-butane-2-sulfonate, Arylesterase, GLYCEROL, ... | | Authors: | Schrag, J.D, Kazlauskas, R.J, Jiang, Y, Morley, K. | | Deposit date: | 2009-07-13 | | Release date: | 2010-07-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Different active-site loop orientation in serine hydrolases versus acyltransferases.
Chembiochem, 12, 2011
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6H5Y
 | | PM1 mutant, 7D5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Laccase, ... | | Authors: | Munoz, I.G, De Salas, F, Camarero, S. | | Deposit date: | 2018-07-25 | | Release date: | 2019-08-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Advanced Synthesis of Conductive Polyaniline Using Laccase as Biocatalyst.
PLoS ONE, 11, 2016
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6H4B
 | | A polyamorous repressor: deciphering the evolutionary strategy used by the phage-inducible chromosomal islands to spread in nature. | | Descriptor: | ORF026, Orf20 | | Authors: | Ciges-Tomas, J.R, Alite, C, Bowring, J.Z, Donderis, J, Penades, J.R, Marina, A. | | Deposit date: | 2018-07-20 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.902 Å) | | Cite: | The structure of a polygamous repressor reveals how phage-inducible chromosomal islands spread in nature.
Nat Commun, 10, 2019
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1D4K
 | | HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR | | Descriptor: | HIV-1 PROTEASE, N-13-[(10S,13S)-9,12-DIOXO-10-(2-BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-15,17,18-TRIENE] (2R)-BENZYL-(4S)-HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-(2S)-INDANEAMIDE, SULFATE ION | | Authors: | Tyndall, J.D, Reid, R.C, Tyssen, D.P, Jardine, D.K, Todd, B, Passmore, M, March, D.R, Pattenden, L.K, Alewood, D, Hu, S.H, Alewood, P.F, Birch, C.J, Martin, J.L, Fairlie, D.P. | | Deposit date: | 1999-10-04 | | Release date: | 2000-10-11 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Synthesis, stability, antiviral activity, and protease-bound structures of substrate-mimicking constrained macrocyclic inhibitors of HIV-1 protease.
J.Med.Chem., 43, 2000
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1CZL
 | | COMPARISONS OF WILD TYPE AND MUTANT FLAVODOXINS FROM ANACYSTIS NIDULANS. STRUCTURAL DETERMINANTS OF THE REDOX POTENTIALS. | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | | Authors: | Hoover, D.M, Drennan, C.L, Metzger, A.L, Osborne, C, Weber, C.H, Pattridge, K.A, Ludwig, M.L. | | Deposit date: | 1999-09-03 | | Release date: | 1999-12-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Comparisons of wild-type and mutant flavodoxins from Anacystis nidulans. Structural determinants of the redox potentials.
J.Mol.Biol., 294, 1999
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6R9J
 | | Structure of Saccharomyces cerevisiae apo Pan2 pseudoubiquitin hydrolase-RNA exonuclease (UCH-Exo) module in complex with A7 RNA | | Descriptor: | A7 RNA, PAN2-PAN3 deadenylation complex catalytic subunit PAN2 | | Authors: | Tang, T.T.L, Stowell, J.A.W, Hill, C.H, Passmore, L.A. | | Deposit date: | 2019-04-03 | | Release date: | 2019-05-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.326 Å) | | Cite: | The intrinsic structure of poly(A) RNA determines the specificity of Pan2 and Caf1 deadenylases.
Nat.Struct.Mol.Biol., 26, 2019
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1D5V
 | | SOLUTION STRUCTURE OF THE FORKHEAD DOMAIN OF THE ADIPOCYTE-TRANSCRIPTION FACTOR FREAC-11 (S12) | | Descriptor: | S12 TRANSCRIPTION FACTOR (FKH-14) | | Authors: | van Dongen, M.J.P, Cederberg, A, Carlsson, P, Enerback, S, Wikstrom, M. | | Deposit date: | 1999-10-12 | | Release date: | 2000-10-11 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of the DNA-binding domain of the adipocyte-transcription factor FREAC-11.
J.Mol.Biol., 296, 2000
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1D3A
 | | CRYSTAL STRUCTURE OF THE WILD TYPE HALOPHILIC MALATE DEHYDROGENASE IN THE APO FORM | | Descriptor: | CHLORIDE ION, HALOPHILIC MALATE DEHYDROGENASE, SODIUM ION | | Authors: | Richard, S.B, Madern, D, Garcin, E, Zaccai, G. | | Deposit date: | 1999-09-28 | | Release date: | 2000-03-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Halophilic adaptation: novel solvent protein interactions observed in the 2.9 and 2.6 A resolution structures of the wild type and a mutant of malate dehydrogenase from Haloarcula marismortui.
Biochemistry, 39, 2000
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4XD5
 | | Phosphotriesterase variant R2 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R2, ... | | Authors: | Campbell, E, Kaltenbach, M, Tokuriki, N, Jackson, C.J. | | Deposit date: | 2014-12-19 | | Release date: | 2015-12-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
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