2PWH
 
 | | Crystal structure of the trehalulose synthase MutB from Pseudomonas mesoacidophila MX-45 | | Descriptor: | CALCIUM ION, Sucrose isomerase | | Authors: | Ravaud, S, Robert, X, Haser, R, Aghajari, N. | | Deposit date: | 2007-05-11 | | Release date: | 2007-06-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Trehalulose synthase native and carbohydrate complexed structures provide insights into sucrose isomerization.
J.Biol.Chem., 61, 2007
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1JNL
 | | Crystal Structure of Fab-Estradiol Complexes | | Descriptor: | monoclonal anti-estradiol 17E12E5 immunoglobulin gamma-1 chain, monoclonal anti-estradiol 17E12E5 immunoglobulin kappa chain | | Authors: | Monnet, C, Bettsworth, F, Stura, E.A, Le Du, M.-H, Menez, R, Derrien, L, Zinn-Justin, S, Gilquin, B, Sibai, G, Battail-Poirot, N, Jolivet, M, Menez, A, Arnaud, M, Ducancel, F, Charbonnier, J.B. | | Deposit date: | 2001-07-24 | | Release date: | 2002-02-06 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Highly specific anti-estradiol antibodies: structural characterisation and binding diversity.
J.Mol.Biol., 315, 2002
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5WKJ
 | | 2.05 A resolution structure of MERS 3CL protease in complex with inhibitor GC376 | | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, CALCIUM ION, ... | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Chang, K.O, Groutas, W.C. | | Deposit date: | 2017-07-25 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element.
Eur J Med Chem, 150, 2018
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1JG2
 | | Crystal Structure of L-isoaspartyl (D-aspartyl) O-methyltransferase with adenosine | | Descriptor: | ADENOSINE, SODIUM ION, protein-L-isoaspartate O-methyltransferase | | Authors: | Griffith, S.C, Sawaya, M.R, Boutz, D, Thapar, N, Katz, J, Clarke, S, Yeates, T.O. | | Deposit date: | 2001-06-22 | | Release date: | 2001-11-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of a protein repair methyltransferase from Pyrococcus furiosus with its L-isoaspartyl peptide substrate.
J.Mol.Biol., 313, 2001
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5WKK
 | | 1.55 A resolution structure of MERS 3CL protease in complex with inhibitor GC813 | | Descriptor: | (1R,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, MAGNESIUM ION, ... | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Chang, K.O, Groutas, W.C. | | Deposit date: | 2017-07-25 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element.
Eur J Med Chem, 150, 2018
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5WKM
 | | 2.25 A resolution structure of MERS 3CL protease in complex with piperidine-based peptidomimetic inhibitor 21 | | Descriptor: | (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Orf1a protein | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Chang, K.O, Groutas, W.C. | | Deposit date: | 2017-07-25 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element.
Eur J Med Chem, 150, 2018
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2Q68
 | | Crystal Structure of Nak channel D66A, S70E double mutants | | Descriptor: | CALCIUM ION, Potassium channel protein, SODIUM ION | | Authors: | Alam, A, Shi, N, Jiang, Y. | | Deposit date: | 2007-06-04 | | Release date: | 2007-10-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insight into Ca2+ specificity in tetrameric cation channels.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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5WKU
 | | Structure of an acid sensing ion channel in a resting state with barium | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, ... | | Authors: | Yoder, N, Gouaux, E. | | Deposit date: | 2017-07-25 | | Release date: | 2018-03-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Gating mechanisms of acid-sensing ion channels.
Nature, 555, 2018
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2Q87
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2Q9O
 | | Near-atomic resolution structure of a Melanocarpus albomyces laccase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Hakulinen, N, Rouvinen, J. | | Deposit date: | 2007-06-13 | | Release date: | 2008-03-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | A near atomic resolution structure of a Melanocarpus albomyces laccase.
J.Struct.Biol., 162, 2008
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2Q8J
 | | Crystal Structure of the complex of C-lobe of bovine lactoferrin with Mannitol and Mannose at 2.7 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | | Authors: | Mir, R, Jain, R, Sinha, M, Singh, N, Sharma, S, Kaur, P, Bhushan, A, Singh, T.P. | | Deposit date: | 2007-06-11 | | Release date: | 2007-06-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Crystal structure of the complex of C-lobe of bovine lactoferrin with Mannitol and Mannose at 2.7 A resolution
To be Published
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5WYR
 | | Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD from Pseudomonas aeruginosa | | Descriptor: | SINEFUNGIN, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Jaroensuk, J, Liew, C.W, Atichartpongkul, S, Chionh, Y.H, Wong, Y.H, Zhong, W.H, McBee, M.E, Thongdee, N, Prestwich, E.G, DeMott, M.S, Mongkolsuk, S, Dedon, P.C, Lescar, J, Fuangthong, M. | | Deposit date: | 2017-01-15 | | Release date: | 2017-12-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD fromPseudomonas aeruginosa.
Rna, 2019
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5WF6
 | | Agonist bound human A2a adenosine receptor with S91A mutation at 2.90 A resolution | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide, Human A2a adenosine receptor T4L chimera | | Authors: | White, K.L, Eddy, M.T, Gao, Z, Han, G.W, Hanson, M.A, Lian, T, Deary, A, Patel, N, Jacobson, K.A, Katritch, V, Stevens, R.C. | | Deposit date: | 2017-07-11 | | Release date: | 2018-02-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural Connection between Activation Microswitch and Allosteric Sodium Site in GPCR Signaling.
Structure, 26, 2018
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1JXK
 | | Role of ethe mobile loop in the mehanism of human salivary amylase | | Descriptor: | Alpha-amylase, salivary, CALCIUM ION, ... | | Authors: | Ramasubbu, N, Ragunath, C, Wang, Z. | | Deposit date: | 2001-09-07 | | Release date: | 2001-09-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Probing the role of a mobile loop in substrate binding and enzyme activity of human salivary amylase
J.Mol.Biol., 325, 2003
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2W7J
 | | Crystal structure of Y61AbsSHMT Glycine external aldimine | | Descriptor: | GLYCINE, PYRIDOXAL-5'-PHOSPHATE, SERINE HYDROXYMETHYLTRANSFERASE | | Authors: | Rajaram, V, Bhavani, B.S, Bisht, S, Kaul, P, Prakash, V, Appaji Rao, N, Savithri, H.S, Murthy, M.R.N. | | Deposit date: | 2008-12-22 | | Release date: | 2010-08-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Importance of Tyrosine Residues of Bacillus Stearothermophilus Serine Hydroxymethyltransferase in Cofactor Binding and L-Allo-Thr Cleavage.
FEBS J., 275, 2008
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2W7D
 | | Crystal structure of Y51FbsSHMT internal aldimine | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Rajaram, V, Bhavani, B.S, Bisht, S, Kaul, P, Prakash, V, Appaji Rao, N, Savithri, H.S, Murthy, M.R.N. | | Deposit date: | 2008-12-22 | | Release date: | 2010-08-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Importance of Tyrosine Residues of Bacillus Stearothermophilus Serine Hydroxymethyltransferase in Cofactor Binding and L-Allo-Thr Cleavage.
FEBS J., 275, 2008
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5WWK
 | | Highly stable green fluorescent protein | | Descriptor: | Green fluorescent protein | | Authors: | Sriram, R, George, A, Kesavan, M, Jaimohan, S.M, Kamini, N.R, Easwaramoorthi, S, Ganesh, S, Gunasekaran, K, Ayyadurai, N. | | Deposit date: | 2017-01-02 | | Release date: | 2017-12-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.199 Å) | | Cite: | Excited State Electronic Interconversion and Structural Transformation of Engineered Red-Emitting Green Fluorescent Protein Mutant.
J.Phys.Chem.B, 123, 2019
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2VNN
 | | Human BACE-1 in complex with 7-ethyl-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-1- methyl-3,4-dihydro-1H-(1,2,5)thiadiazepino(3,4,5-hi)indole-9- carboxamide 2,2-dioxide | | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide | | Authors: | Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, East, P, Hawkins, J, Howes, C, Hussain, I, Jeffrey, P, Maile, G, Matico, R, Mosley, J, Naylor, A, OBrien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | | Deposit date: | 2008-02-05 | | Release date: | 2008-05-20 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Second Generation of Hydroxyethylamine Bace-1 Inhibitors: Optimizing Potency and Oral Bioavailability.
J.Med.Chem., 51, 2008
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5WZH
 | | Structure of APUM23-GGAAUUGACGG | | Descriptor: | Pumilio homolog 23, RNA (5'-R(*GP*GP*AP*AP*UP*UP*GP*AP*CP*GP*G)-3') | | Authors: | Bao, H, Wang, N, Wang, C, Jiang, Y, Wu, J, Shi, Y. | | Deposit date: | 2017-01-18 | | Release date: | 2017-09-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.509 Å) | | Cite: | Structural basis for the specific recognition of 18S rRNA by APUM23.
Nucleic Acids Res., 45, 2017
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2VS3
 | | THE BINDING OF UDP-GALACTOSE BY AN ACTIVE SITE MUTANT OF alpha-1,3 GALACTOSYLTRANSFERASE (alpha3GT) | | Descriptor: | MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE, ... | | Authors: | Tumbale, P, Jamaluddin, H, Thiyagarajan, N, Brew, K, Acharya, K.R. | | Deposit date: | 2008-04-18 | | Release date: | 2008-07-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis of Udp-Galactose Binding by Alpha- 1,3-Galactosyltransferase (Alpha3Gt): Role of Negative Charge on Aspartic Acid 316 in Structure and Activity.
Biochemistry, 47, 2008
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1K2I
 | | Crystal Structure of Gamma-Chymotrypsin in Complex with 7-Hydroxycoumarin | | Descriptor: | 2,4-DIHYDROXY-TRANS CINNAMIC ACID, CHYMOTRYPSINOGEN A, SULFATE ION | | Authors: | Ghani, U, Ng, K.K.S, Atta-ur-Rahman, Choudhary, M.I, Ullah, N, James, M.N.G. | | Deposit date: | 2001-09-27 | | Release date: | 2001-12-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of gamma-chymotrypsin in complex with 7-hydroxycoumarin.
J.Mol.Biol., 314, 2001
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1JIG
 | | Dlp-2 from Bacillus anthracis | | Descriptor: | Dlp-2, FE (III) ION | | Authors: | Papinutto, E, Dundon, W.G, Pitulis, N, Battistutta, R, Montecucco, C, Zanotti, G. | | Deposit date: | 2001-07-02 | | Release date: | 2002-06-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Structure of two iron-binding proteins from Bacillus anthracis.
J.Biol.Chem., 277, 2002
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5WIS
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with methymycin and bound to mRNA and A-, P- and E-site tRNAs at 2.7A resolution | | Descriptor: | (3R,4S,5S,7R,9E,11S,12R)-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside, 16S Ribosomal RNA, 23S ribosomal RNA, ... | | Authors: | Almutairi, M.M, Svetlov, M.S, Hansen, D.A, Khabibullina, N.F, Klepacki, D, Kang, H.Y, Sherman, D.H, Vazquez-Laslop, N, Polikanov, Y.S, Mankin, A.S. | | Deposit date: | 2017-07-20 | | Release date: | 2018-02-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.703 Å) | | Cite: | Co-produced natural ketolides methymycin and pikromycin inhibit bacterial growth by preventing synthesis of a limited number of proteins.
Nucleic Acids Res., 45, 2017
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5WIZ
 | | Phosphotriesterase variant S5 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ... | | Authors: | Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N. | | Deposit date: | 2017-07-21 | | Release date: | 2019-01-23 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Phosphotriesterase variant S5
To Be Published
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1JIQ
 | | Crystal Structure of Human Autocrine Motility Factor | | Descriptor: | autocrine motility factor | | Authors: | Tanaka, N, Haga, A, Uemura, H, Akiyama, H, Funasaka, T, Nagase, H, Raz, A, Nakamura, K.T. | | Deposit date: | 2001-07-02 | | Release date: | 2002-06-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Inhibition mechanism of cytokine activity of human autocrine motility factor examined by crystal structure analyses and site-directed mutagenesis studies.
J.Mol.Biol., 318, 2002
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