7WPJ
 
 | | Methionyl-tRNA synthetase from Staphylococcus aureus | | Descriptor: | 1,2-ETHANEDIOL, Methionine--tRNA ligase | | Authors: | Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H. | | Deposit date: | 2022-01-24 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Nucleic Acids Res., 50, 2022
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3R3R
 | | Structure of the YrdA ferripyochelin binding protein from Salmonella enterica | | Descriptor: | ZINC ION, ferripyochelin binding protein | | Authors: | Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Peterson, S.N, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-03-16 | | Release date: | 2011-03-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure of the YrdA ferripyochelin binding protein from Salmonella enterica
TO BE PUBLISHED
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7WMC
 | | Crystal structure of macrocyclic peptide 1 bound to human Nicotinamide N-methyltransferase | | Descriptor: | Nicotinamide N-methyltransferase, Peptide1 | | Authors: | Yoshida, S, Uehara, S, Kondo, N, Takahashi, Y, Yamamoto, S, Kameda, A, Kawagoe, S, Inoue, N, Yamada, M, Yoshimura, N, Tachibana, Y. | | Deposit date: | 2022-01-14 | | Release date: | 2022-08-31 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Peptide-to-Small Molecule: A Pharmacophore-Guided Small Molecule Lead Generation Strategy from High-Affinity Macrocyclic Peptides.
J.Med.Chem., 65, 2022
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3T32
 | | Crystal structure of a putative C-S lyase from Bacillus anthracis | | Descriptor: | Aminotransferase, class I/II | | Authors: | Anderson, S.M, Wawrzak, Z, Gordon, E, Peterson, S.N, Porebski, P, Minor, W, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-07-24 | | Release date: | 2011-08-10 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a putative C-S lyase from Bacillus anthracis
TO BE PUBLISHED
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7W61
 | | Crystal structure of farnesol dehydrogenase from Helicoverpa armigera | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Farnesol dehydrogenase, ... | | Authors: | Kumar, R, Das, J, Mahto, J.K, Sharma, M, Kumar, P, Sharma, A.K. | | Deposit date: | 2021-12-01 | | Release date: | 2022-07-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure and molecular characterization of NADP + -farnesol dehydrogenase from cotton bollworm, Helicoverpaarmigera.
Insect Biochem.Mol.Biol., 147, 2022
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3SS6
 | | Crystal structure of the Bacillus anthracis acetyl-CoA acetyltransferase | | Descriptor: | Acetyl-CoA acetyltransferase, POTASSIUM ION, SULFATE ION | | Authors: | Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Peterson, S.N, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-07-07 | | Release date: | 2011-07-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of the Bacillus anthracis acetyl-CoA acetyltransferase
TO BE PUBLISHED
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3TAU
 | | Crystal Structure of a Putative Guanylate Monophosphaste Kinase from Listeria monocytogenes EGD-e | | Descriptor: | Guanylate kinase, SODIUM ION, SULFATE ION | | Authors: | Brunzelle, J.S, Wawrzak, Z, Onopriyenko, O, Kwok, J, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-08-04 | | Release date: | 2011-08-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal Structure of a Putative Guanylate Monophosphaste Kinase from Listeria monocytogenes EGD-e
To be Published
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7XJO
 | | Crystal structure of human MMP-2 catalytic domain in complex with inhibitor | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kamitani, M, Mima, M, Takeuchi, T. | | Deposit date: | 2022-04-18 | | Release date: | 2022-06-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Aryloxyphenyl-Heptapeptide Hybrids as Potent and Selective Matrix Metalloproteinase-2 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis.
J.Med.Chem., 65, 2022
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7XGJ
 | | Crystal structure of human MMP-2 catalytic domain in complex with inhibitor | | Descriptor: | CALCIUM ION, GZS-ASN-ASP-ALA-LEU-IML-EOE-NH2, Matrix metalloproteinase-2, ... | | Authors: | Kamitani, M, Mima, M, Takeuchi, T. | | Deposit date: | 2022-04-05 | | Release date: | 2022-06-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of Aryloxyphenyl-Heptapeptide Hybrids as Potent and Selective Matrix Metalloproteinase-2 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis.
J.Med.Chem., 65, 2022
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7X2Y
 | | Crystal Structure of cis-4,5-dihydrodiol phthalate dehydrogenase in complex with NAD+ and 3-Hydroxybenzoate | | Descriptor: | 3-HYDROXYBENZOIC ACID, 4,5-dihydroxyphthalate dehydrogenase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sharma, M, Mahto, J.K, Kumar, P. | | Deposit date: | 2022-02-26 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Conformational flexibility enables catalysis of phthalate cis-4,5-dihydrodiol dehydrogenase.
Arch.Biochem.Biophys., 727, 2022
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6G22
 | | Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PEU | | Descriptor: | 1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-[(E)-2-phosphonoethenyl]pyrimidine-2,4(1H,3H)-dione, 5'(3')-deoxyribonucleotidase, mitochondrial, ... | | Authors: | Pachl, P, Rezacova, P, Brynda, J. | | Deposit date: | 2018-03-22 | | Release date: | 2018-07-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-based optimization of bisphosphonate nucleoside inhibitors of human 5'(3')-deoxyribonucleotidases
Eur.J.Org.Chem., 2018
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3Q7H
 | | Structure of the ClpP subunit of the ATP-dependent Clp Protease from Coxiella burnetii | | Descriptor: | ATP-dependent Clp protease proteolytic subunit, CALCIUM ION, DI(HYDROXYETHYL)ETHER | | Authors: | Anderson, S.M, Wawrzak, Z, Gordon, E, Hasseman, J, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-01-04 | | Release date: | 2011-01-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the ClpP subunit of the ATP-dependent Clp Protease from Coxiella burnetii
To be Published
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3C3Q
 | | ALIX Bro1-domain:CHMIP4B co-crystal structure | | Descriptor: | Charged multivesicular body protein 4b peptide, GLYCEROL, Programmed cell death 6-interacting protein | | Authors: | McCullough, J.B, Fisher, R.D, Whitby, F.G, Sundquist, W.I, Hill, C.P. | | Deposit date: | 2008-01-28 | | Release date: | 2008-06-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | ALIX-CHMP4 interactions in the human ESCRT pathway.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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3R3S
 | | Structure of the YghA Oxidoreductase from Salmonella enterica | | Descriptor: | FORMIC ACID, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Peterson, S.N, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-03-16 | | Release date: | 2011-03-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structure of the YghA Oxidoreductase from Salmonella enterica
TO BE PUBLISHED
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3R8Y
 | | Structure of the Bacillus anthracis tetrahydropicolinate succinyltransferase | | Descriptor: | 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-acetyltransferase, CALCIUM ION | | Authors: | Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Peterson, S.N, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-03-24 | | Release date: | 2011-04-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of the Bacillus anthracis tetrahydropicolinate succinyltransferase
TO BE PUBLISHED
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6ER6
 | | Crystal structure of a computationally designed colicin endonuclease and immunity pair colEdes7/Imdes7 | | Descriptor: | Endonuclease colEdes7, immunity Imdes7 | | Authors: | Netzer, R, Listov, D, Dym, O, Albeck, S, Knop, O, Fleishman, S.J. | | Deposit date: | 2017-10-17 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Ultrahigh specificity in a network of computationally designed protein-interaction pairs.
Nat Commun, 9, 2018
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6EB3
 | | Structural and enzymatic characterization of an esterase from a metagenomic library | | Descriptor: | 1,2-ETHANEDIOL, 1,3-dihydroxypropan-2-yl butanoate, 2-hydroxypropane-1,3-diyl dibutanoate, ... | | Authors: | Guzzo, C.R, Carvalho, C.F, Teixeira, R.D, Farah, C.S. | | Deposit date: | 2018-08-03 | | Release date: | 2019-08-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Functional and Structural characterisation of an Esterase from Amazonian Dark Soil
To Be Published
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7YF6
 | | Crystal structure of HIV-1 protease in complex with macrocyclic peptide | | Descriptor: | MAGNESIUM ION, Macrocyclic Peptide, Protease | | Authors: | Kusumoto, Y, Sato, S, Yamada, T, Kozono, I, Nakata, Z, Asada, N, Mitsuki, S, Wakasa-Morimoto, C, Tohru, M, Watanabe, A, Hayashi, K, Mikamiyama, H. | | Deposit date: | 2022-07-07 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Highly Potent and Oral Macrocyclic Peptides as a HIV-1 Protease Inhibitor: mRNA Display-Derived Hit-to-Lead Optimization.
Acs Med.Chem.Lett., 13, 2022
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7YI7
 | | Crystal structure of Human HPSE1 in complex with inhibitor | | Descriptor: | (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit | | Authors: | Mima, M, Fujimoto, N, Imai, Y. | | Deposit date: | 2022-07-15 | | Release date: | 2022-12-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Lead identification of novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid derivative as a potent heparanase-1 inhibitor.
Bioorg.Med.Chem.Lett., 79, 2022
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7XQC
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2QNY
 | | Crystal structure of the complex between the A246F mutant of mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and SS-(2-hydroxyethyl) O-decyl ester carbono(dithioperoxoic) acid | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, BETA-MERCAPTOETHANOL, DECYL FORMATE | | Authors: | Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. | | Deposit date: | 2007-07-19 | | Release date: | 2008-05-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH
Chem.Biol., 15, 2008
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2QNX
 | | Crystal structure of the complex between the mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and 11-[(decyloxycarbonyl)dithio]-undecanoic acid | | Descriptor: | 11-MERCAPTOUNDECANOIC ACID, 3-oxoacyl-[acyl-carrier-protein] synthase 3, O-DECYL HYDROGEN THIOCARBONATE | | Authors: | Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. | | Deposit date: | 2007-07-19 | | Release date: | 2008-05-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH
Chem.Biol., 15, 2008
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2QO1
 | | 2.6 Angstrom Crystal Structure of the Complex Between 11-(decyldithiocarbonyloxy)-undecanoic acid and Mycobacterium Tuberculosis FabH. | | Descriptor: | 11-[(MERCAPTOCARBONYL)OXY]UNDECANOIC ACID, 3-oxoacyl-[acyl-carrier-protein] synthase 3, DECANE-1-THIOL | | Authors: | Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. | | Deposit date: | 2007-07-19 | | Release date: | 2008-05-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH
Chem.Biol., 15, 2008
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2JE2
 | | Cytochrome P460 from Nitrosomonas europaea - probable nonphysiological oxidized form | | Descriptor: | CYTOCHROME P460, HEME C, PHOSPHATE ION | | Authors: | Pearson, A.R, Elmore, B.O, Yang, C, Ferrara, J.D, Hooper, A.B, Wilmot, C.M. | | Deposit date: | 2007-01-13 | | Release date: | 2007-07-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Crystal Structure of Cytochrome P460 of Nitrosomonas Europaea Reveals a Novel Cytochrome Fold and Heme-Protein Cross-Link.
Biochemistry, 46, 2007
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2R61
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