4OFX
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![BU of 4ofx by Molmil](/molmil-images/mine/4ofx) | Crystal Structure of a Putative Cystathionine beta-Synthase from Coxiella burnetii | Descriptor: | Cystathionine beta-synthase, SODIUM ION | Authors: | Brunzelle, J.S, Wawrzak, Z, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-01-15 | Release date: | 2014-02-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal Structure of a Putative Cystathionine beta-Synthase from Coxiella burnetii To be Published
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5T7E
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5WJE
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![BU of 5wje by Molmil](/molmil-images/mine/5wje) | Crystal structure of Naa80 bound to a bisubstrate analogue | Descriptor: | Actin N-terminus peptide, CARBOXYMETHYL COENZYME *A, CG8481, ... | Authors: | Goris, M, Magin, R.S, Marmorstein, R, Arnesen, T. | Deposit date: | 2017-07-21 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.765 Å) | Cite: | Structural determinants and cellular environment define processed actin as the sole substrate of the N-terminal acetyltransferase NAA80. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2Z2C
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![BU of 2z2c by Molmil](/molmil-images/mine/2z2c) | MURA inhibited by unag-cnicin adduct | Descriptor: | 2-acetamido-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-5'-DIPHOSPHATE | Authors: | Steinbach, A, Skarzynski, T, Scheidig, A.J, Klein, C.D. | Deposit date: | 2007-05-17 | Release date: | 2008-05-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The Antibacterial Target Enzyme Mura Synthesizes its Own Non-Covalent Suicide Inhibitor from the Natural Product Cnicin To be Published
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4NXY
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![BU of 4nxy by Molmil](/molmil-images/mine/4nxy) | Crystal Structure of the GNAT domain of S. lividans PAT | Descriptor: | Acyl-CoA synthetase, GLYCEROL, TRIFLUOROETHANOL | Authors: | Rank, K.C, Tucker, A.C, Escalante-Semerena, J.C, Rayment, I. | Deposit date: | 2013-12-09 | Release date: | 2014-11-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.449 Å) | Cite: | Insights into the specificity of lysine acetyltransferases. J.Biol.Chem., 289, 2014
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4JZB
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![BU of 4jzb by Molmil](/molmil-images/mine/4jzb) | Crystal Structure of Leshmaniasis major Farnesyl diphosphate synthase in complex with 1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)-3-PHENYLPYRIDINIUM, IPP and Ca2+ | Descriptor: | 1-(2-hydroxy-2,2-diphosphonoethyl)-3-phenylpyridinium, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, CALCIUM ION, ... | Authors: | Aripirala, S, Amzel, L.M, Gabelli, S. | Deposit date: | 2013-04-02 | Release date: | 2014-02-12 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and thermodynamic basis of the inhibition of Leishmania major farnesyl diphosphate synthase by nitrogen-containing bisphosphonates. Acta Crystallogr.,Sect.D, 70, 2014
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1VA5
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![BU of 1va5 by Molmil](/molmil-images/mine/1va5) | Antigen 85C with octylthioglucoside in active site | Descriptor: | Antigen 85-C, octyl 1-thio-beta-D-glucopyranoside | Authors: | Ronning, D.R, Vissa, V, Besra, G.S, Belisle, J.T, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2004-02-11 | Release date: | 2004-07-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Mycobacterium tuberculosis Antigen 85A and 85C Structures Confirm Binding Orientation and Conserved Substrate Specificity J.Biol.Chem., 279, 2004
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4K9C
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![BU of 4k9c by Molmil](/molmil-images/mine/4k9c) | CRYSTAL STRUCTURE OF probable sugar kinase protein from Rhizobium etli CFN 42 complexed with N-(HYDROXYMETHYL)BENZAMIDE and 4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-CARBOXYLIC ACID | Descriptor: | 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid, ADENOSINE, DIMETHYL SULFOXIDE, ... | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-04-19 | Release date: | 2013-05-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | CRYSTAL STRUCTURE OF probable sugar kinase protein from Rhizobium etli CFN 42 complexed with N-(HYDROXYMETHYL)BENZAMIDE and 4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-CARBOXYLIC ACID To be Published
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6QXH
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4KAL
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![BU of 4kal by Molmil](/molmil-images/mine/4kal) | Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with quinoline-3-carboxylic acid | Descriptor: | ADENOSINE, DIMETHYL SULFOXIDE, POTASSIUM ION, ... | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-04-22 | Release date: | 2013-05-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with quinoline-3-carboxylic acid To be Published
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2Z87
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![BU of 2z87 by Molmil](/molmil-images/mine/2z87) | Crystal structure of chondroitin polymerase from Escherichia coli strain K4 (K4CP) complexed with UDP-GalNAc and UDP | Descriptor: | Chondroitin synthase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ... | Authors: | Osawa, T, Sugiura, N, Shimada, H, Hirooka, R, Tsuji, A, Kimura, M, Kimata, K, Kakuta, Y. | Deposit date: | 2007-09-03 | Release date: | 2008-09-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of chondroitin polymerase from Escherichia coli K4. Biochem. Biophys. Res. Commun., 378, 2009
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5ZHQ
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6D72
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![BU of 6d72 by Molmil](/molmil-images/mine/6d72) | Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Yersinia pestis in complex with calcium ions. | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, MALONATE ION, ... | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-04-23 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Yersinia pestis in complex with calcium ions. To Be Published
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6QSP
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![BU of 6qsp by Molmil](/molmil-images/mine/6qsp) | Ketosynthase (ApeO) in Complex with its Chain Length Factor (ApeC) from Xenorhabdus doucetiae | Descriptor: | Beta-ketoacyl synthase, GLYCEROL, PHOSPHATE ION, ... | Authors: | Grammbitter, G.L.C, Schmalhofer, M, Groll, M, Bode, H. | Deposit date: | 2019-02-21 | Release date: | 2019-04-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | An Uncommon Type II PKS Catalyzes Biosynthesis of Aryl Polyene Pigments. J.Am.Chem.Soc., 141, 2019
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1SYN
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![BU of 1syn by Molmil](/molmil-images/mine/1syn) | E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH BW1843U89 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP) | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID, THYMIDYLATE SYNTHASE | Authors: | Stout, T.J, Stroud, R.M. | Deposit date: | 1995-09-19 | Release date: | 1996-01-29 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The complex of the anti-cancer therapeutic, BW1843U89, with thymidylate synthase at 2.0 A resolution: implications for a new mode of inhibition. Structure, 4, 1996
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1TEE
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1TH5
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![BU of 1th5 by Molmil](/molmil-images/mine/1th5) | Solution structure of C-terminal domain of NifU-like protein from Oryza sativa | Descriptor: | NifU1 | Authors: | Kumeta, H, Ogura, K, Asayama, M, Katoh, S, Katoh, E, Inagaki, F. | Deposit date: | 2004-06-01 | Release date: | 2005-09-27 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | The NMR structure of the domain II of a chloroplastic NifU-like protein OsNifU1A. J.Biomol.Nmr, 38, 2007
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6QXG
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6QXS
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![BU of 6qxs by Molmil](/molmil-images/mine/6qxs) | Crystal structure of Enteroccocus faecalis thymidylate synthase (EfTS) in complex with FdUMP | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SULFATE ION, ... | Authors: | Pozzi, C, Mangani, M. | Deposit date: | 2019-03-07 | Release date: | 2019-04-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Structural Comparison ofEnterococcus faecalisand Human Thymidylate Synthase Complexes with the Substrate dUMP and Its Analogue FdUMP Provides Hints about Enzyme Conformational Variabilities. Molecules, 24, 2019
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1KRR
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6R0B
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![BU of 6r0b by Molmil](/molmil-images/mine/6r0b) | T. cruzi FPPS in complex with 3-((4-(5-chlorobenzo[d]thiazol-2-yl)piperazin-1-yl)methyl)-1H-indol-5-ol | Descriptor: | 3-[[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol, Farnesyl diphosphate synthase, SULFATE ION, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.612 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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1KRV
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6R05
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![BU of 6r05 by Molmil](/molmil-images/mine/6r05) | T. CRUZI FPPS IN COMPLEX WITH N-BENZYL-6-METHYLPYRIDIN-2-AMINE | Descriptor: | 6-methyl-~{N}-(phenylmethyl)pyridin-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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6R07
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![BU of 6r07 by Molmil](/molmil-images/mine/6r07) | T. cruzi FPPS in complex with 2-(5-chlorobenzo[b]thiophen-3-yl)acetic acid | Descriptor: | (5-chloro-1-benzothiophen-3-yl)acetic acid, DIMETHYL SULFOXIDE, Farnesyl diphosphate synthase, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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5ZMW
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![BU of 5zmw by Molmil](/molmil-images/mine/5zmw) | Crystal structure of the E309Q mutant of SR Ca2+-ATPase in E2(TG) | Descriptor: | DECYL-BETA-D-MALTOPYRANOSIDE, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ... | Authors: | Ogawa, H, Hirata, A, Tsueda, J, Toyoshima, C. | Deposit date: | 2018-04-06 | Release date: | 2019-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanism of the E2 to E1 transition in Ca2+pump revealed by crystal structures of gating residue mutants. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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