1UHI
 
 | | Crystal structure of i-aequorin | | Descriptor: | (2R)-8-BENZYL-2-HYDROPEROXY-6-(4-HYDROXYPHENYL)-2-(4-IODOBENZYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)-ONE, Aequorin 2 | | Authors: | Toma, S, Chong, K.T, Nakagawa, A, Teranishi, K, Inouye, S, Shimomura, O. | | Deposit date: | 2003-07-03 | | Release date: | 2005-02-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The crystal structures of semi-synthetic aequorins
Protein Sci., 14, 2005
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1UHH
 | | Crystal structure of cp-aequorin | | Descriptor: | (8R)-8-(CYCLOPENTYLMETHYL)-2-HYDROPEROXY-2-(4-HYDROXYBENZYL)-6-(4-HYDROXYPHENYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H) -ONE, Aequorin 2 | | Authors: | Toma, S, Chong, K.T, Nakagawa, A, Teranishi, K, Inouye, S, Shimomura, O. | | Deposit date: | 2003-07-03 | | Release date: | 2005-02-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The crystal structures of semi-synthetic aequorins
Protein Sci., 14, 2005
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1UHJ
 | | Crystal structure of br-aequorin | | Descriptor: | (2S,8R)-8-BENZYL-2-(4-BROMOBENZYL)-2-HYDROPEROXY-6-(4-HYDROXYPHENYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)-ONE, Aequorin 2 | | Authors: | Toma, S, Chong, K.T, Nakagawa, A, Teranishi, K, Inouye, S, Shimomura, O. | | Deposit date: | 2003-07-03 | | Release date: | 2005-02-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The crystal structures of semi-synthetic aequorins
Protein Sci., 14, 2005
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1UHK
 | | Crystal structure of n-aequorin | | Descriptor: | (2S,8R)-8-BENZYL-2-HYDROPEROXY-6-(4-HYDROXYPHENYL)-2-(2-NAPHTHYLMETHYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)-ONE, Aequorin 2 | | Authors: | Toma, S, Chong, K.T, Nakagawa, A, Teranishi, K, Inouye, S, Shimomura, O. | | Deposit date: | 2003-07-03 | | Release date: | 2005-02-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The crystal structures of semi-synthetic aequorins
Protein Sci., 14, 2005
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4RSP
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2GVS
 | | NMR solution structure of CSPsg4 | | Descriptor: | chemosensory protein CSP-sg4 | | Authors: | Tomaselli, S, Crescenzi, O, Sanfelice, D, Ab, E, Tancredi, T, Picone, D. | | Deposit date: | 2006-05-03 | | Release date: | 2006-09-12 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of a Chemosensory Protein from the Desert Locust Schistocerca gregaria(,).
Biochemistry, 45, 2006
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1Z0Q
 | | Aqueous Solution Structure of the Alzheimer's Disease Abeta Peptide (1-42) | | Descriptor: | Alzheimer's disease amyloid | | Authors: | Tomaselli, S, Esposito, V, Vangone, P, van Nuland, N.A, Bonvin, A.M, Guerrini, R, Tancredi, T, Temussi, P.A, Picone, D. | | Deposit date: | 2005-03-02 | | Release date: | 2006-05-23 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | The alpha-to-beta Conformational Transition of Alzheimer's Abeta-(1-42) Peptide in Aqueous Media is Reversible: A Step by Step Conformational Analysis Suggests the Location of beta Conformation Seeding
Chembiochem, 7, 2006
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4YLU
 | | X-ray structure of MERS-CoV nsp5 protease bound with a non-covalent inhibitor | | Descriptor: | ACETATE ION, N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}propanamide, ORF1a protein | | Authors: | Tomar, S, Mesecar, A.D. | | Deposit date: | 2015-03-05 | | Release date: | 2015-06-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Ligand-induced Dimerization of Middle East Respiratory Syndrome (MERS) Coronavirus nsp5 Protease (3CLpro): IMPLICATIONS FOR nsp5 REGULATION AND THE DEVELOPMENT OF ANTIVIRALS.
J.Biol.Chem., 290, 2015
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2K62
 | | NMR solution structure of the supramolecular adduct between a liver cytosolic bile acid binding protein and a bile acid-based Gd(III)-chelate | | Descriptor: | (3alpha,5alpha,8alpha)-3-[(N,N-bis{2-[bis(carboxymethyl)amino]ethyl}-L-gamma-glutamyl)amino]cholan-24-oic acid, Liver fatty acid-binding protein, YTTERBIUM (III) ION | | Authors: | Tomaselli, S, Zanzoni, S, Ragona, L, Gianolio, E, Aime, S, Assfalg, M, Molinari, H. | | Deposit date: | 2008-07-03 | | Release date: | 2008-11-04 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the supramolecular adduct between a liver cytosolic bile acid binding protein and a bile acid-based gadolinium(III)-chelate, a potential hepatospecific magnetic resonance imaging contrast agent.
J.Med.Chem., 51, 2008
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2LFO
 | | NMR structure of cl-BABP/SS complexed with glycochenodeoxycholic and glycocholic acids | | Descriptor: | Fatty acid-binding protein, liver, GLYCOCHENODEOXYCHOLIC ACID, ... | | Authors: | Tomaselli, S, Cogliati, C, Pagano, K, Zetta, L, Zanzoni, S, Assfalg, M, Molinari, H, Ragona, L. | | Deposit date: | 2011-07-07 | | Release date: | 2012-07-11 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | A disulfide bridge allows for site-selective binding in liver bile acid binding protein thereby stabilising the orientation of key amino acid side chains.
Chemistry, 18, 2012
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6JY0
 | | CryoEM structure of S.typhimurium R-type straight flagellar filament made of FljB (A461V) | | Descriptor: | Flagellin | | Authors: | Yamaguchi, T, Toma, S, Terahara, N, Miyata, T, Minamino, T, Ashikara, M, Namba, K, Kato, T. | | Deposit date: | 2019-04-25 | | Release date: | 2020-02-19 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.56 Å) | | Cite: | Structural and Functional Comparison ofSalmonellaFlagellar Filaments Composed of FljB and FliC.
Biomolecules, 10, 2020
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1WSV
 | | Crystal Structure of Human T-protein of Glycine Cleavage System | | Descriptor: | Aminomethyltransferase, N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, SULFATE ION | | Authors: | Okamura-Ikeda, K, Hosaka, H, Yoshimura, M, Yamashita, E, Toma, S, Nakagawa, A, Fujiwara, K, Motokawa, Y, Taniguchi, H. | | Deposit date: | 2004-11-11 | | Release date: | 2005-08-16 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of Human T-protein of Glycine Cleavage System at 2.0A Resolution and its Implication for Understanding Non-ketotic Hyperglycinemia
J.Mol.Biol., 351, 2005
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1WSR
 | | Crystal Structure of Human T-protein of Glycine Cleavage System | | Descriptor: | Aminomethyltransferase, SULFATE ION | | Authors: | Okamura-Ikeda, K, Hosaka, H, Yoshimura, M, Yamashita, E, Toma, S, Nakagawa, A, Fujiwara, K, Motokawa, Y, Taniguchi, H. | | Deposit date: | 2004-11-10 | | Release date: | 2005-08-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Human T-protein of Glycine Cleavage System at 2.0A Resolution and its Implication for Understanding Non-ketotic Hyperglycinemia
J.Mol.Biol., 351, 2005
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1X2H
 | | Crystal Structure of Lipate-Protein Ligase A from Escherichia coli complexed with lipoic acid | | Descriptor: | LIPOIC ACID, Lipoate-protein ligase A | | Authors: | Fujiwara, K, Toma, S, Okamura-Ikeda, K, Motokawa, Y, Nakagawa, A, Taniguchi, H. | | Deposit date: | 2005-04-23 | | Release date: | 2005-08-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Crystal structure of lipoate-protein ligase A from Escherichia coli: Determination of the lipoic acid-binding site
J.Biol.Chem., 280, 2005
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1X2G
 | | Crystal Structure of Lipate-Protein Ligase A from Escherichia coli | | Descriptor: | Lipoate-protein ligase A | | Authors: | Fujiwara, K, Toma, S, Okamura-Ikeda, K, Motokawa, Y, Nakagawa, A, Taniguchi, H. | | Deposit date: | 2005-04-23 | | Release date: | 2005-08-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of lipoate-protein ligase A from Escherichia coli: Determination of the lipoic acid-binding site
J.Biol.Chem., 280, 2005
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5FTW
 | | Crystal structure of glutamate O-methyltransferase in complex with S- adenosyl-L-homocysteine (SAH) from Bacillus subtilis | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHEMOTAXIS PROTEIN METHYLTRANSFERASE, GLYCEROL, ... | | Authors: | Sharma, R, Dhindwal, S, Batra, M, Aggarwal, M, Kumar, P, Tomar, S. | | Deposit date: | 2016-01-18 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Pentapeptide-Independent Chemotaxis Receptor Methyltransferase (Cher) Reveals Idiosyncratic Structural Determinants for Receptor Recognition.
J.Struct.Biol., 196, 2016
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2VS2
 | | Neutron diffraction structure of endothiapepsin in complex with a gem- diol inhibitor. | | Descriptor: | ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide | | Authors: | Coates, L, Tuan, H.-F, Tomanicek, S, Kovalevsky, A, Mustyakimov, M, Erskine, P, Cooper, J. | | Deposit date: | 2008-04-17 | | Release date: | 2008-05-27 | | Last modified: | 2023-11-15 | | Method: | NEUTRON DIFFRACTION (2 Å) | | Cite: | The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
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3ZQ7
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4UMF
 | | Crystal structure of 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase from Moraxella catarrhalis in complex with Magnesium ion, Phosphate ion and KDO molecule | | Descriptor: | 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE PHOSPHATASE KDSC, 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, MAGNESIUM ION, ... | | Authors: | Dhindwal, S, Tomar, S, Kumar, P. | | Deposit date: | 2014-05-16 | | Release date: | 2015-02-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Ligand-Bound Structures of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Phosphatase from Moraxella Catarrhalis Reveal a Water Channel Connecting to the Active Site for the Second Step of Catalysis
Acta Crystallogr.,Sect.D, 71, 2015
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4UME
 | | Crystal structure of 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase from Moraxella catarrhalis in complex with Magnesium ion and KDO molecule | | Descriptor: | 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE PHOSPHATASE KDSC, 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, MAGNESIUM ION | | Authors: | Dhindwal, S, Tomar, S, Kumar, P. | | Deposit date: | 2014-05-16 | | Release date: | 2015-02-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Ligand-Bound Structures of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Phosphatase from Moraxella Catarrhalis Reveal a Water Channel Connecting to the Active Site for the Second Step of Catalysis
Acta Crystallogr.,Sect.D, 71, 2015
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4UMD
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4UM7
 | | Crystal structure of 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase (kdsC) from Moraxella catarrhalis in complex with Magnesium ion | | Descriptor: | 1,2-ETHANEDIOL, 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE PHOSPHATASE KDSC, MAGNESIUM ION | | Authors: | Dhindwal, S, Tomar, S, Kumar, P. | | Deposit date: | 2014-05-15 | | Release date: | 2015-02-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Ligand-Bound Structures of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Phosphatase from Moraxella Catarrhalis Reveal a Water Channel Connecting to the Active Site for the Second Step of Catalysis
Acta Crystallogr.,Sect.D, 71, 2015
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4UM5
 | | Crystal structure of 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase from Moraxella catarrhalis in complex with Magnesium ion and Phosphate ion | | Descriptor: | 1,2-ETHANEDIOL, 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE PHOSPHATASE KDSC, MAGNESIUM ION, ... | | Authors: | Dhindwal, S, Tomar, S, Kumar, P. | | Deposit date: | 2014-05-15 | | Release date: | 2015-02-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Ligand-Bound Structures of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Phosphatase from Moraxella Catarrhalis Reveal a Water Channel Connecting to the Active Site for the Second Step of Catalysis
Acta Crystallogr.,Sect.D, 71, 2015
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1RMR
 | | Crystal Structure of Schistatin, a Disintegrin Homodimer from saw-scaled Viper (Echis carinatus) at 2.5 A resolution | | Descriptor: | Disintegrin schistatin | | Authors: | Bilgrami, S, Tomar, S, Yadav, S, Kaur, P, Kumar, J, Jabeen, T, Sharma, S, Singh, T.P. | | Deposit date: | 2003-11-28 | | Release date: | 2004-06-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of schistatin, a disintegrin homodimer from saw-scaled viper (Echis carinatus) at 2.5 A resolution
J.Mol.Biol., 341, 2004
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5LFH
 | | NMR structure of peptide 10 targeting CXCR4 | | Descriptor: | ACE-ARG-ALA-DCY-ARG-PHE-PHE-CYS | | Authors: | Di Maro, S, Trotta, A.M, Brancaccio, D, Di Leva, F.S, La Pietra, V, Ierano, C, Napolitano, M, Portella, L, D'Alterio, C, Siciliano, R.A, Sementa, D, Tomassi, S, Carotenuto, A, Novellino, E, Scala, S, Marinelli, L. | | Deposit date: | 2016-07-01 | | Release date: | 2016-09-07 | | Last modified: | 2016-10-05 | | Method: | SOLUTION NMR | | Cite: | Exploring the N-Terminal Region of C-X-C Motif Chemokine 12 (CXCL12): Identification of Plasma-Stable Cyclic Peptides As Novel, Potent C-X-C Chemokine Receptor Type 4 (CXCR4) Antagonists.
J.Med.Chem., 59, 2016
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