3LZD
 
 | | Crystal structure of Dph2 from Pyrococcus horikoshii with 4Fe-4S cluster | | Descriptor: | Dph2, IRON/SULFUR CLUSTER, SULFATE ION | | Authors: | Torelli, A.T, Zhang, Y, Zhu, X, Lee, M, Dzikovski, B, Koralewski, R.M, Wang, E, Freed, J, Krebs, C, Lin, H, Ealick, S.E. | | Deposit date: | 2010-03-01 | | Release date: | 2010-07-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Diphthamide biosynthesis requires an organic radical generated by an iron-sulphur enzyme.
Nature, 465, 2010
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5B1H
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8F51
 | | Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with mefloquine | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2022-11-11 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
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4CMW
 | | Crystal structure of Rv3378c | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Layre, E, Lee, H.J, Young, D.C, Martinot, A.J, Buter, J, Minnaard, A.J, Annand, J.W, Fortune, S.M, Snider, B.B, Matsunaga, I, Rubin, E.J, Alber, T, Moody, D.B. | | Deposit date: | 2014-01-18 | | Release date: | 2014-02-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.209 Å) | | Cite: | Molecular Profiling of Mycobacterium Tuberculosis Identifies Tuberculosinyl Nucleoside Products of the Virulence-Associated Enzyme Rv3378C.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5HMN
 | | Crystal structure of an aminoglycoside acetyltransferase HMB0005 from an uncultured soil metagenomic sample, unknown active site density modeled as polyethylene glycol | | Descriptor: | AAC3-I, COENZYME A, TETRAETHYLENE GLYCOL | | Authors: | Xu, Z, Stogios, P.J, Wawrzak, Z, Skarina, T, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-01-16 | | Release date: | 2016-02-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.018 Å) | | Cite: | Crystal structure of an aminoglycoside acetyltransferase HMB0005 from an uncultured soil metagenomic sample, unknown active site density modeled as polyethylene glycol
To Be Published
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6OAH
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5HN8
 | | Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH-1182 | | Descriptor: | 2-{[3-hydroxy-5-(octyloxy)benzyl]sulfanyl}benzoic acid, Farnesyl pyrophosphate synthase, putative, ... | | Authors: | Liu, Y.-L, Zhang, Y, Oldfield, E. | | Deposit date: | 2016-01-18 | | Release date: | 2016-09-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Dynamic Structure and Inhibition of a Malaria Drug Target: Geranylgeranyl Diphosphate Synthase.
Biochemistry, 55, 2016
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5HN9
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5WGC
 | | propionyl-DpsC in complex with oxetane-bearing probe | | Descriptor: | (3-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}oxetan-3-yl)acetic acid, Daunorubicin-doxorubicin polyketide synthase | | Authors: | Milligan, J.C, Ellis, B.D, White, A.R, Vanderwal, C.D, Tsai, S.C. | | Deposit date: | 2017-07-13 | | Release date: | 2018-04-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | An Oxetane-Based Polyketide Surrogate To Probe Substrate Binding in a Polyketide Synthase.
J. Am. Chem. Soc., 140, 2018
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2IVO
 | | Structure of UP1 protein | | Descriptor: | TUNGSTATE(VI)ION, UP1 | | Authors: | Hecker, A, Leulliot, N, Graille, M, Dorlet, P, Quevillon-Cheruel, S, Ulryck, N, Van Tilbeurgh, H, Forterre, P. | | Deposit date: | 2006-06-14 | | Release date: | 2007-07-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | An Archaeal Orthologue of the Universal Protein Kae1 is an Iron Metalloprotein which Exhibits Atypical DNA-Binding Properties and Apurinic-Endonuclease Activity in Vitro.
Nucleic Acids Res., 35, 2007
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5W8G
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5B5M
 | | Crystal structure of the Sr-substituted LH1-RC complex from Tch. tepidum | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | | Authors: | Wang-Otomo, Z.-Y, Yu, L.-J. | | Deposit date: | 2016-05-12 | | Release date: | 2017-03-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural Basis for the Unusual Qy Red-Shift and Enhanced Thermostability of the LH1 Complex from Thermochromatium tepidum.
Biochemistry, 55, 2016
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2M9Y
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5WC4
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2IU8
 | | Chlamydia trachomatis LpxD with 25mM UDPGlcNAc (Complex I) | | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, PALMITIC ACID, ... | | Authors: | Buetow, L, Smith, T.K, Dawson, A, Fyffe, S, Hunter, W.N. | | Deposit date: | 2006-05-30 | | Release date: | 2007-02-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and Reactivity of Lpxd, the N-Acyltransferase of Lipid a Biosynthesis
Proc.Natl.Acad.Sci.USA, 104, 2007
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5WCN
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6R36
 | | T. brucei farnesyl pyrophosphate synthase (FPPS) | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase | | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | | Deposit date: | 2019-03-19 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Fragment-Based Discovery of Non-bisphosphonate Binders of Trypanosoma brucei Farnesyl Pyrophosphate Synthase.
Chembiochem, 21, 2020
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8F2L
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2IVP
 | | Structure of UP1 protein | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FE (II) ION, O-SIALOGLYCOPROTEIN ENDOPEPTIDASE | | Authors: | Hecker, A, Leulliot, N, Graille, M, Dorlet, P, Quevillon-Cheruel, S, Ulryck, N, Van Tilbeurgh, H, Forterre, P. | | Deposit date: | 2006-06-14 | | Release date: | 2007-07-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | An Archaeal Orthologue of the Universal Protein Kae1 is an Iron Metalloprotein which Exhibits Atypical DNA-Binding Properties and Apurinic-Endonuclease Activity in Vitro.
Nucleic Acids Res., 35, 2007
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6OJV
 | | Crystal structure of human thymidylate synthase delta(7-29) in complex with dUMP and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-L-glutamic acid | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, N-{4-[(2-amino-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}-L-glutamic acid, Thymidylate synthase,Thymidylate synthase | | Authors: | Czyzyk, D.J, Anderson, K.S, Valhondo, M, Jorgensen, W.L. | | Deposit date: | 2019-04-12 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.593 Å) | | Cite: | Understanding the structural basis of species selective, stereospecific inhibition for Cryptosporidium and human thymidylate synthase.
Febs Lett., 593, 2019
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2MFR
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6OR8
 | | An Unexpected Intermediate in the Reaction Catalyzed by Quinolinate Synthase | | Descriptor: | 2-hydroxy-N-[(1S)-1-hydroxy-3-oxopropyl]-L-aspartic acid, IRON/SULFUR CLUSTER, PHOSPHATE ION, ... | | Authors: | Esakova, O.A, Grove, T.L, Yennawar, N.H, Booker, S.J. | | Deposit date: | 2019-04-29 | | Release date: | 2019-10-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | An Unexpected Species Determined by X-ray Crystallography that May Represent an Intermediate in the Reaction Catalyzed by Quinolinate Synthase.
J.Am.Chem.Soc., 141, 2019
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5WI5
 | | 2.0 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Streptococcus pneumoniae in Complex with Uridine-diphosphate-2(n-acetylglucosaminyl) butyric acid, (2R)-2-(phosphonooxy)propanoic acid and Magnesium. | | Descriptor: | (2R)-2-(phosphonooxy)propanoic acid, MAGNESIUM ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase 1, ... | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-07-18 | | Release date: | 2017-08-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 2.0 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Streptococcus pneumoniae in Complex with Uridine-diphosphate-2(n-acetylglucosaminyl) butyric acid, (2R)-2-(phosphonooxy)propanoic acid and Magnesium.
To Be Published
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5HXP
 | | Crystal Structure of Z,Z-Farnesyl Diphosphate Synthase (D71M, E75A and H103Y Mutants) Complexed with IPP | | Descriptor: | (2Z,6Z)-farnesyl diphosphate synthase, chloroplastic, 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, ... | | Authors: | Lee, C.C, Chan, Y.T, Wang, A.H.J. | | Deposit date: | 2016-01-31 | | Release date: | 2017-04-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure and Potential Head-to-Middle Condensation Function of aZ,Z-Farnesyl Diphosphate Synthase.
Acs Omega, 2, 2017
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7YXM
 | | Benzoylsuccinyl-CoA thiolase with coenzyme A | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Benzoylsuccinyl-CoA thiolase subunit, ... | | Authors: | Ermler, U, Heider, J, Weidenweber, S. | | Deposit date: | 2022-02-16 | | Release date: | 2022-04-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Finis tolueni: a new type of thiolase with an integrated Zn-finger subunit catalyzes the final step of anaerobic toluene metabolism.
Febs J., 289, 2022
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