4IXU
 
 | | Crystal structure of human Arginase-2 complexed with inhibitor 11d: {(5R)-5-amino-5-carboxy-5-[(3-endo)-8-(3,4-dichlorobenzyl)-8-azabicyclo[3.2.1]oct-3-yl]pentyl}(trihydroxy)borate(1-) | | Descriptor: | Arginase-2, mitochondrial, BENZAMIDINE, ... | | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D, Beckett, P, Van Zandt, M.C, Ji, M.K, Ryder, T, Jagdmann, R, Andreoli, M, Olczak, J, Mazur, M, Czestkowski, W, Piotrowska, W, Schroeter, H, Golebiowski, A, Podjarny, A. | | Deposit date: | 2013-01-28 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Synthesis of quaternary alpha-amino acid-based arginase inhibitors via the Ugi reaction.
Bioorg.Med.Chem.Lett., 23, 2013
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4IWG
 | | Crystal Structure of the Conserved Hypothetical Protein MJ0927 from Methanocaldococcus jannaschii (in C2221 form) | | Descriptor: | UPF0135 protein MJ0927 | | Authors: | Kuan, S.M, Chen, S.C, Yang, C.S, Chen, Y.R, Liu, Y.H, Chen, Y. | | Deposit date: | 2013-01-23 | | Release date: | 2014-01-29 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.472 Å) | | Cite: | Crystal structure of a conserved hypothetical protein MJ0927 from Methanocaldococcus jannaschii reveals a novel quaternary assembly in the Nif3 family.
Biomed Res Int, 2014, 2014
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4J0F
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4H1M
 | | Crystal structure of PYK2 with the indole 10c | | Descriptor: | 7-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)-N-(propan-2-yl)-1H-indole-2-carboxamide, Protein-tyrosine kinase 2-beta | | Authors: | Han, S. | | Deposit date: | 2012-09-10 | | Release date: | 2012-11-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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1Z3I
 | | Structure of the SWI2/SNF2 chromatin remodeling domain of eukaryotic Rad54 | | Descriptor: | SULFATE ION, ZINC ION, similar to RAD54-like | | Authors: | Thoma, N.H, Czyzewski, B.K, Alexeev, A.A, Mazin, A.V, Kowalczykowski, S.C, Pavletich, N.P. | | Deposit date: | 2005-03-12 | | Release date: | 2005-04-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of the SWI2/SNF2 chromatin-remodeling domain of eukaryotic Rad54.
Nat.Struct.Mol.Biol., 12, 2005
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4HE2
 | | Crystal structure of human muscle fructose-1,6-bisphosphatase Q32R mutant complex with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Fructose-1,6-bisphosphatase isozyme 2, ... | | Authors: | Shi, R, Zhu, D.W, Lin, S.X. | | Deposit date: | 2012-10-03 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structures of Human Muscle Fructose-1,6-Bisphosphatase: Novel Quaternary States, Enhanced AMP Affinity, and Allosteric Signal Transmission Pathway.
Plos One, 8, 2013
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4HE1
 | | Crystal structure of human muscle fructose-1,6-bisphosphatase Q32R mutant complex with fructose-6-phosphate and phosphate | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, CHLORIDE ION, Fructose-1,6-bisphosphatase isozyme 2, ... | | Authors: | Shi, R, Zhu, D.W, Lin, S.X. | | Deposit date: | 2012-10-03 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Crystal Structures of Human Muscle Fructose-1,6-Bisphosphatase: Novel Quaternary States, Enhanced AMP Affinity, and Allosteric Signal Transmission Pathway.
Plos One, 8, 2013
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3HF4
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3HD6
 | | Crystal Structure of the Human Rhesus Glycoprotein RhCG | | Descriptor: | Ammonium transporter Rh type C, octyl beta-D-glucopyranoside | | Authors: | Gruswitz, F, Chaudhary, S, Ho, J.D, Pezeshki, B, Ho, C.-M, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP) | | Deposit date: | 2009-05-06 | | Release date: | 2009-09-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Function of human Rh based on structure of RhCG at 2.1 A.
Proc.Natl.Acad.Sci.USA, 107, 2010
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4HU7
 | | E. coli thioredoxin variant with Pro76 as single proline residue | | Descriptor: | COPPER (II) ION, SODIUM ION, Thioredoxin-1 | | Authors: | Glockshuber, R, Scharer, M.A, Capitani, G, Rubini, M. | | Deposit date: | 2012-11-02 | | Release date: | 2013-05-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | (4R)- and (4S)-Fluoroproline in the Conserved cis-Prolyl Peptide Bond of the Thioredoxin Fold: Tertiary Structure Context Dictates Ring Puckering.
Chembiochem, 14, 2013
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4HTW
 | | SIVmac239 capsid N-terminal domain | | Descriptor: | Gag protein | | Authors: | Schmidt, A.G. | | Deposit date: | 2012-11-02 | | Release date: | 2013-05-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Gain-of-Sensitivity Mutations in a Trim5-Resistant Primary Isolate of Pathogenic SIV Identify Two Independent Conserved Determinants of Trim5alpha Specificity.
Plos Pathog., 9, 2013
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3F37
 | | Apoferritin: complex with 2,6-dimethylphenol | | Descriptor: | 2,6-dimethylphenol, ACETATE ION, CADMIUM ION, ... | | Authors: | Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J. | | Deposit date: | 2008-10-30 | | Release date: | 2009-07-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
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4LUA
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4KC8
 | | Crystal Structure of Endo-1,5-alpha-L-arabinanase from Thermotoga petrophila RKU-1 in complex with TRIS | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Glycoside hydrolase, ... | | Authors: | Nascimento, A.F.Z, Polo, C.C, Santos, C.R, Costa, M.C.M.F, Mesa, A.N, Prade, R.A, Ruller, R, Squina, F.M, Murakami, M.T. | | Deposit date: | 2013-04-24 | | Release date: | 2014-02-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Mechanistic strategies for catalysis adopted by evolutionary distinct family 43 arabinanases.
J.Biol.Chem., 289, 2014
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4M3C
 | | Structure of a binary complex between homologous tetrameric legume lectins from Butea monosperma and Spatholobus parviflorus seeds | | Descriptor: | CALCIUM ION, GAMMA-AMINO-BUTANOIC ACID, GLYCEROL, ... | | Authors: | Surya, S, Abhilash, J, Geethanandan, K, Sadasivan, C, Haridas, M. | | Deposit date: | 2013-08-06 | | Release date: | 2013-09-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of a binary complex between homologous tetrameric legume lectins from Butea monosperma and Spatholobus parviflorus seeds
To be Published
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3F34
 | | Apoferritin: complex with 2,6-diethylphenol | | Descriptor: | 2,6-diethylphenol, ACETATE ION, CADMIUM ION, ... | | Authors: | Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J. | | Deposit date: | 2008-10-30 | | Release date: | 2009-07-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
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2GC7
 | | Substrate reduced, copper free complex of methylamine dehydrogenase, amicyanin and cytochrome c551i from Paracoccus denitrificans. | | Descriptor: | Amicyanin, Cytochrome c-L, HEME C, ... | | Authors: | Chen, Z, Durley, R, Davidson, V.L, Mathews, F.S. | | Deposit date: | 2006-03-13 | | Release date: | 2007-02-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structral comparison of the oxidized ternary electron transfer complex of methylamine dehydrogenase, amicyanin and cytochrome c551i from Paracoccus denitrificans with the substrate-reduced, copper free complex at 1.9 A resolution.
To be Published
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4HUA
 | | E. coli thioredoxin variant with (4R)-FluoroPro76 as single proline residue | | Descriptor: | COPPER (II) ION, Thioredoxin-1 | | Authors: | Scharer, M.A, Rubini, M, Capitani, G, Glockshuber, R. | | Deposit date: | 2012-11-02 | | Release date: | 2013-05-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | (4R)- and (4S)-Fluoroproline in the Conserved cis-Prolyl Peptide Bond of the Thioredoxin Fold: Tertiary Structure Context Dictates Ring Puckering.
Chembiochem, 14, 2013
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4MEZ
 | | Crystal structure of M68L/M69T double mutant TEM-1 | | Descriptor: | Beta-lactamase TEM, CHLORIDE ION, GLYCEROL, ... | | Authors: | Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M. | | Deposit date: | 2013-08-27 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.047 Å) | | Cite: | The Structural Dynamics of Engineered beta-Lactamases Vary Broadly on Three Timescales yet Sustain Native Function.
Sci Rep, 9, 2019
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4IAG
 | | Crystal structure of ZbmA, the zorbamycin binding protein from Streptomyces flavoviridis | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Zbm binding protein | | Authors: | Cuff, M.E, Bigelow, L, Bruno, C.J.P, Clancy, S, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2012-12-06 | | Release date: | 2013-02-20 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of the Zorbamycin-Binding Protein ZbmA, the Primary Self-Resistance Element in Streptomyces flavoviridis ATCC21892.
Biochemistry, 54, 2015
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4HU9
 | | E. coli thioredoxin variant with (4S)-FluoroPro76 as single proline residue | | Descriptor: | COPPER (II) ION, Thioredoxin-1 | | Authors: | Scharer, M.A, Rubini, M, Capitani, G, Glockshuber, R. | | Deposit date: | 2012-11-02 | | Release date: | 2013-05-29 | | Last modified: | 2017-09-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | (4R)- and (4S)-Fluoroproline in the Conserved cis-Prolyl Peptide Bond of the Thioredoxin Fold: Tertiary Structure Context Dictates Ring Puckering.
Chembiochem, 14, 2013
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2PH6
 | | Crystal Structure of Human Beta Secretase Complexed with inhibitor | | Descriptor: | 3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-METHYL-D-PHENYLALANINATE, Beta-secretase 1, SULFATE ION | | Authors: | Munshi, S. | | Deposit date: | 2007-04-10 | | Release date: | 2007-06-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design, synthesis, and SAR of macrocyclic tertiary carbinamine BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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1ZAF
 | | Crystal structure of estrogen receptor beta complexed with 3-Bromo-6-hydroxy-2-(4-hydroxy-phenyl)-inden-1-one | | Descriptor: | 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE, Estrogen receptor beta, Nuclear receptor coactivator 1 | | Authors: | McDevitt, R.E, Malamas, M.S, Manas, E.S, Unwalla, R.J, Xu, Z.B, Miller, C.P, Harris, H.A. | | Deposit date: | 2005-04-06 | | Release date: | 2006-04-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Estrogen receptor ligands: design and synthesis of new 2-arylindene-1-ones
Bioorg.Med.Chem.Lett., 15, 2005
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2PH8
 | | Crystal Structure of Human Beta Secretase Complexed with inhibitor | | Descriptor: | Beta-secretase 1, N-[(5R,14R)-5-AMINO-5,14-DIMETHYL-4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1~7,11~]DOCOSA-1(21),7(22),8,10,17,19-HEXAEN-19-YL]-N-METHYLMETHANESULFONAMIDE, SULFATE ION | | Authors: | Munshi, S. | | Deposit date: | 2007-04-10 | | Release date: | 2008-04-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Strategies toward improving the brain penetration of macrocyclic tertiary carbinamine BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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2PRI
 | | BINDING OF 2-DEOXY-GLUCOSE-6-PHOSPHATE TO GLYCOGEN PHOSPHORYLASE B | | Descriptor: | 2-deoxy-6-O-phosphono-alpha-D-glucopyranose, GLYCOGEN PHOSPHORYLASE B, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Oikonomakos, N.G, Zographos, S.E, Johnson, L.N, Papageorgiou, A.C, Acharya, K.R. | | Deposit date: | 1998-12-11 | | Release date: | 1998-12-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The binding of 2-deoxy-D-glucose 6-phosphate to glycogen phosphorylase b: kinetic and crystallographic studies.
J.Mol.Biol., 254, 1995
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