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5SOA	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1613492358 Descriptor: (2R)-4-(1H-pyrazol-1-yl)butan-2-ol, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.54 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SNU	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434770 Descriptor: 1-(3-chlorophenyl)-N-methylmethanamine, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.98 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SO8	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z85895198 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-(4-fluorobenzoyl)-N-methylglycine, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.64 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SN6	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434942 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.75 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SNN	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1954800564 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 5-methoxy-1,3-benzothiazol-2-amine, DIMETHYL SULFOXIDE, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.08 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SO5	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with JKH93B Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.68 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SO1	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z30620520 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.07 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SOH	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z31432226 Descriptor: (azepan-1-yl)(2H-1,3-benzodioxol-5-yl)methanone, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.61 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
4K8T	Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with ethyl 3,4-diaminobenzoate 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: 2013-04-18 Release date: 2013-05-01 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with ethyl 3,4-diaminobenzoate To be Published
4KAM	X-ray crystal structure of O-acetylhomoserine sulfhydrylase MetC from Mycobacterium marinum ATCC BAA-535 / M Descriptor: O-acetylhomoserine sulfhydrylase MetC, SULFATE ION Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2013-04-22 Release date: 2013-05-01 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
5SXO	1.35 angstrom resolution crystal structure of beta-ketoacyl-ACP synthase II (FabF) from Listeria monocytogenes Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2 Authors: Soares da Costa, T.P, Nanson, J.D, Forwood, J.K. Deposit date: 2016-08-09 Release date: 2016-11-02 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.35 Å) Cite: 1.35 angstrom resolution crystal structure of beta-ketoacyl-ACP synthase II (FabF) from Listeria monocytogenes To Be Published
5XCN	Crystal structure of M120A mutant of O-acetyl-L-serine sulfahydrylase from Haemophilus influenzae Descriptor: Cysteine synthase Authors: Abhishek, K, Kumaran, S. Deposit date: 2017-03-23 Release date: 2018-05-02 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.69 Å) Cite: Molecular Mechanism of Selective Substrate Engagement and Inhibitor Dis-engagement of Cysteine Synthase. J.Biol.Chem., 2020
3ALE	A type III polyketide synthase that produces diarylheptanoid Descriptor: Os07g0271500 protein Authors: Morita, H, Kato, R, Sugio, S, Abe, I. Deposit date: 2010-08-03 Release date: 2010-11-03 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Structural basis for the one-pot formation of the diarylheptanoid scaffold by curcuminoid synthase from Oryza sativa Proc.Natl.Acad.Sci.USA, 107, 2010
1TQY	The Actinorhodin Ketosynthase/Chain Length Factor Descriptor: ACETYL GROUP, Actinorhodin polyketide putative beta-ketoacyl synthase 1, Actinorhodin polyketide putative beta-ketoacyl synthase 2, ... Authors: Keatinge-Clay, A.T, Maltby, D.A, Medzihradszky, K.F, Khosla, C, Stroud, R.M. Deposit date: 2004-06-18 Release date: 2004-07-27 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2 Å) Cite: An antibiotic factory caught in action. Nat.Struct.Mol.Biol., 11, 2004
5T0L	Crystal structure of Toxoplasma gondii TS-DHFR complexed with NADPH, dUMP, PDDF and 5-(4-(3,4-dichlorophenyl)piperazin-1-yl)pyrimidine-2,4-diamine (TRC-15) Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine, ... Authors: Thomas, S.B, Chen, Z, Lu, H, Li, Y. Deposit date: 2016-08-16 Release date: 2016-09-28 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (3.13 Å) Cite: Discovery of Potent and Selective Leads against Toxoplasma gondii Dihydrofolate Reductase via Structure-Based Design. ACS Med Chem Lett, 7, 2016
1TRG	E. COLI THYMIDYLATE SYNTHASE IN SYMMETRIC COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP) Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE Authors: Stout, T.J, Sage, C.R, Stroud, R.M. Deposit date: 1998-05-21 Release date: 1998-08-12 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (1.9 Å) Cite: The additivity of substrate fragments in enzyme-ligand binding. Structure, 6, 1998
6A2L	Crystal structure of quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum DHFR-TS complexed with BT1, NADPH, and dUMP Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ... Authors: Chitnumsub, P, Jaruwat, A, Tarnchampoo, B, Yuthavong, Y. Deposit date: 2018-06-12 Release date: 2019-04-24 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.38 Å) Cite: Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance. ACS Med Chem Lett, 9, 2018
1LCE	LACTOBACILLUS CASEI THYMIDYLATE SYNTHASE TERNARY COMPLEX WITH DUMP AND CH2THF Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5,10-METHYLENE-6-HYDROFOLIC ACID, THYMIDYLATE SYNTHASE Authors: Birdsall, D.L, Finer-Moore, J, Stroud, R.M. Deposit date: 1995-06-22 Release date: 1995-10-15 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Refined structures of substrate-bound and phosphate-bound thymidylate synthase from Lactobacillus casei. J.Mol.Biol., 232, 1993
4MY0	Crystal Structure of GCN5-related N-acetyltransferase from Kribbella flavida Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETYL COENZYME *A, GCN5-related N-acetyltransferase, ... Authors: Kim, Y, Mack, J, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) Deposit date: 2013-09-26 Release date: 2013-11-06 Method: X-RAY DIFFRACTION (2.101 Å) Cite: Crystal Structure of GCN5-related N-acetyltransferase from Kribbella flavida To be Published
4KPW	Crystal structure of His-tagged human thymidylate synthase R175A mutant Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Thymidylate synthase Authors: Pozzi, C, Mangani, S. Deposit date: 2013-05-14 Release date: 2014-05-14 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Hotspots in an obligate homodimeric anticancer target. Structural and functional effects of interfacial mutations in human thymidylate synthase. J.Med.Chem., 58, 2015
4KQ5	Crystal Structure of Human Farnesyl Pyrophosphate Synthase Mutant (Y204A) Complexed with Mg and Zoledronate Descriptor: 1,2-ETHANEDIOL, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... Authors: Barnett, B.L, Tsoumpra, M.K, Muniz, J.R.C. Deposit date: 2013-05-14 Release date: 2014-04-30 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Crystal Structure of Human Farnesyl Pyrophosphate Synthase Mutant (Y204A) Complexed with Mg and Zoledronate To be Published
1LL0	Crystal Structure of Rabbit Muscle Glycogenin Descriptor: GLYCOGENIN-1 Authors: Gibbons, B.J, Roach, P.J, Hurley, T.D. Deposit date: 2002-04-26 Release date: 2002-05-15 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (3.43 Å) Cite: Crystal structure of the autocatalytic initiator of glycogen biosynthesis, glycogenin. J.Mol.Biol., 319, 2002
1LL3	Crystal Structure of Rabbit Muscle Glycogenin Descriptor: GLYCEROL, GLYCOGENIN-1 Authors: Gibbons, B.J, Roach, P.J, Hurley, T.D. Deposit date: 2002-04-26 Release date: 2002-05-15 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal structure of the autocatalytic initiator of glycogen biosynthesis, glycogenin. J.Mol.Biol., 319, 2002
1ULQ	Crystal structure of tt0182 from Thermus thermophilus HB8 Descriptor: putative acetyl-CoA acetyltransferase Authors: Ago, H, Hamada, K, Ida, K, Kanda, H, Sugahara, M, Yamamoto, M, Kuroishi, C, Kuramitsu, S, Yokoyama, S, Miyano, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) Deposit date: 2003-09-16 Release date: 2004-11-02 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (3 Å) Cite: Crystal structure of tt0182 from Thermus thermophilus HB8 To be Published
1UMX	PHOTOSYNTHETIC REACTION CENTER MUTANT WITH ARG M267 REPLACED WITH LEU (CHAIN M, R267L) Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN B, FE (III) ION, ... Authors: Fyfe, P.K, Isaacs, N.W, Cogdell, R.J, Jones, M.R. Deposit date: 2003-09-02 Release date: 2004-06-29 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Disruption of a specific molecular interaction with a bound lipid affects the thermal stability of the purple bacterial reaction centre. Biochim.Biophys.Acta, 1608, 2004

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