1UHI
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![BU of 1uhi by Molmil](/molmil-images/mine/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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1UHJ
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![BU of 1uhj by Molmil](/molmil-images/mine/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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1UHH
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![BU of 1uhh by Molmil](/molmil-images/mine/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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1UHK
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![BU of 1uhk by Molmil](/molmil-images/mine/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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2K62
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![BU of 2k62 by Molmil](/molmil-images/mine/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
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![BU of 2lfo by Molmil](/molmil-images/mine/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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2GVS
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![BU of 2gvs by Molmil](/molmil-images/mine/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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4YLU
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![BU of 4ylu by Molmil](/molmil-images/mine/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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4RSP
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![BU of 4rsp by Molmil](/molmil-images/mine/4rsp) | |
1Z0Q
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![BU of 1z0q by Molmil](/molmil-images/mine/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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1WSR
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![BU of 1wsr by Molmil](/molmil-images/mine/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
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![BU of 1x2h by Molmil](/molmil-images/mine/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
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![BU of 1x2g by Molmil](/molmil-images/mine/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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1WSV
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![BU of 1wsv by Molmil](/molmil-images/mine/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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6JY0
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![BU of 6jy0 by Molmil](/molmil-images/mine/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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1RMR
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![BU of 1rmr by Molmil](/molmil-images/mine/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
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![BU of 5lfh by Molmil](/molmil-images/mine/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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5LFF
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![BU of 5lff by Molmil](/molmil-images/mine/5lff) | NMR structure of peptide 2 targeting CXCR4 | Descriptor: | ARG-ALA-CYS-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: | 2023-06-14 | 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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4ZTB
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![BU of 4ztb by Molmil](/molmil-images/mine/4ztb) | Crystal structure of nsP2 protease from Chikungunya virus in P212121 space group at 2.59 A (4molecules/ASU). | Descriptor: | GLYCEROL, Protease nsP2 | Authors: | Narwal, M, Pratap, S, Singh, H, Kumar, P, Tomar, S. | Deposit date: | 2015-05-14 | Release date: | 2016-06-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Crystal structure of chikungunya virus nsP2 cysteine protease reveals a putative flexible loop blocking its active site. Int.J.Biol.Macromol., 116, 2018
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4UM5
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![BU of 4um5 by Molmil](/molmil-images/mine/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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4UMF
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![BU of 4umf by Molmil](/molmil-images/mine/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
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![BU of 4ume by Molmil](/molmil-images/mine/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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![BU of 4umd by Molmil](/molmil-images/mine/4umd) | |
4UM7
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![BU of 4um7 by Molmil](/molmil-images/mine/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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4UON
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![BU of 4uon by Molmil](/molmil-images/mine/4uon) | |