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3FJ4	Crystal structure of muconate lactonizing enzyme from Pseudomonas Fluorescens complexed with muconolactone Descriptor: MAGNESIUM ION, Muconate cycloisomerase, [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid Authors: Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) Deposit date: 2008-12-14 Release date: 2009-03-31 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes Biochemistry, 48, 2009
3DGB	Crystal structure of muconate lactonizing enzyme from Pseudomonas Fluorescens complexed with muconolactone Descriptor: MAGNESIUM ION, Muconate cycloisomerase, [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid Authors: Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) Deposit date: 2008-06-13 Release date: 2009-03-03 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes Biochemistry, 48, 2009
7JRH	X-ray crystal structure of a cyclic peptide containing medin(19-25) and medin(31-37) Descriptor: CALCIUM ION, Cyclic peptide ASP-GLN-TRP-MLE-GLN-VAL-ASP-ORD-GLU-VAL-THR-GLY-ILE-ILE-THR-ORD Authors: Wierzbicki, M, Howitz, W.J, Nowick, J.S. Deposit date: 2020-08-12 Release date: 2020-09-09 Last modified: 2020-09-30 Method: X-RAY DIFFRACTION (1.32 Å) Cite: Interpenetrating Cubes in the X-ray Crystallographic Structure of a Peptide Derived from Medin 19-36 . J.Am.Chem.Soc., 142, 2020
4WC8	Heterogeneous dodecamer formed from macrocycles containing a sequence from beta-2-microglobulin(63-69). Descriptor: CHLORIDE ION, ORN-TYR-LEU-LEU-PHI-TYR-THR-GLU-ORN-LYS-VAL-ALA-MAA-ALA-VAL-LYS, ORN-TYR-LEU-LEU-PHI-TYR-THR-GLU-ORN-LYS-VAL-ALA-MLE-ALA-VAL-LYS, ... Authors: Spencer, R.K, Nowick, J.S. Deposit date: 2014-09-04 Release date: 2015-05-06 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.908 Å) Cite: X-ray Crystallographic Structures of Oligomers of Peptides Derived from beta 2-Microglobulin. J.Am.Chem.Soc., 137, 2015
5W5U	Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with cyclic peptide CP141037 (P4) Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-PH8-ORN-MLE-GLU-TYR-PHE-GLU-TRP-LEU-SER-BAL, ... Authors: Wilson, I.A, Kadam, R.U. Deposit date: 2017-06-15 Release date: 2017-10-04 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.461 Å) Cite: Potent peptidic fusion inhibitors of influenza virus. Science, 358, 2017
5W6T	Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with cyclic peptide CP151070 (P7) Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-PH8-ORN-MLE-GLU-TYR-ZCL-GLU-TRP-LEU-SER-9WV, ... Authors: Wilson, I.A, Kadam, R.U. Deposit date: 2017-06-16 Release date: 2017-10-04 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.59 Å) Cite: Potent peptidic fusion inhibitors of influenza virus. Science, 358, 2017
2MNR	MECHANISM OF THE REACTION CATALYZED BY MANDELATE RACEMASE. 2. CRYSTAL STRUCTURE OF MANDELATE RACEMASE AT 2.5 ANGSTROMS RESOLUTION: IDENTIFICATION OF THE ACTIVE SITE AND POSSIBLE CATALYTIC RESIDUES Descriptor: MANDELATE RACEMASE, MANGANESE (II) ION, SULFATE ION Authors: Neidhart, D.J, Petsko, G.A. Deposit date: 1993-07-06 Release date: 1994-01-31 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Mechanism of the reaction catalyzed by mandelate racemase. 2. Crystal structure of mandelate racemase at 2.5-A resolution: identification of the active site and possible catalytic residues. Biochemistry, 30, 1991
8JJS	Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP10343 Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAA-ILE-SAR-SAR-7T2-SAR-IAE-LEU-MEA-MLE-7TK, ... Authors: Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T. Deposit date: 2023-05-31 Release date: 2023-07-26 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.534 Å) Cite: Development of Orally Bioavailable Peptides Targeting an Intracellular Protein: From a Hit to a Clinical KRAS Inhibitor. J.Am.Chem.Soc., 145, 2023
7UZL	Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching (B-TC conformation) Descriptor: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE Authors: Ramelot, T.A, Tejero, R, Montelione, G.T. Deposit date: 2022-05-09 Release date: 2022-09-14 Last modified: 2022-09-28 Method: SOLUTION NMR Cite: Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022
7UBC	Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in d6-DMSO with cis/trans switching Descriptor: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE Authors: Ramelot, T.A, Tejero, R, Monteltione, G.T. Deposit date: 2022-03-14 Release date: 2022-09-14 Last modified: 2022-09-28 Method: SOLUTION NMR Cite: Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022
7UBG	Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching (A-TT conformation) Descriptor: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE Authors: Ramelot, T.A, Tejero, R, Montelione, G.T. Deposit date: 2022-03-14 Release date: 2022-09-14 Last modified: 2022-09-28 Method: SOLUTION NMR Cite: Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022
5HSV	X-Ray structure of a CypA-Alisporivir complex at 1.5 angstrom resolution Descriptor: Alisporivir, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase A Authors: Dujardin, M, Bouckaert, J, Rucktooa, P, Hanoulle, X. Deposit date: 2016-01-26 Release date: 2017-08-16 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.5 Å) Cite: X-ray structure of alisporivir in complex with cyclophilin A at 1.5 angstrom resolution. Acta Crystallogr F Struct Biol Commun, 74, 2018
6HMZ	Crystal Structure of a Single-Domain Cyclophilin from Brassica napus Phloem Sap Descriptor: Cyclosporin, MAGNESIUM ION, MALONATE ION, ... Authors: Falke, S, Hanhart, P, Garbe, M, Thiess, M, Betzel, C, Kehr, J. Deposit date: 2018-09-13 Release date: 2018-11-21 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Enzyme activity and structural features of three single-domain phloem cyclophilins from Brassica napus. Sci Rep, 9, 2019
1JOF	Neurospora crassa 3-carboxy-cis,cis-mucoante lactonizing enzyme Descriptor: BETA-MERCAPTOETHANOL, CARBOXY-CIS,CIS-MUCONATE CYCLASE, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), ... Authors: Kajander, T, Merckel, M.C, Thompson, A, Deacon, A.M, Mazur, P, Kozarich, J.W, Goldman, A. Deposit date: 2001-07-28 Release date: 2002-04-12 Last modified: 2021-10-27 Method: X-RAY DIFFRACTION (2.5 Å) Cite: The structure of Neurospora crassa 3-carboxy-cis,cis-muconate lactonizing enzyme, a beta propeller cycloisomerase. Structure, 10, 2002
4V88	The structure of the eukaryotic ribosome at 3.0 A resolution. Descriptor: 18S RIBOSOMAL RNA, 18S rRNA, 25S rRNA, ... Authors: Ben-Shem, A, Garreau de Loubresse, N, Melnikov, S, Jenner, L, Yusupova, G, Yusupov, M. Deposit date: 2011-10-11 Release date: 2014-07-09 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (3 Å) Cite: The structure of the eukaryotic ribosome at 3.0 angstrom resolution. Science, 334, 2011
7MQX	P. putida mandelate racemase forms an oxobenzoxaborole adduct with 2-formylphenylboronic acid Descriptor: (3S)-2,1-benzoxaborole-1,3(3H)-diol, 1,2-ETHANEDIOL, MAGNESIUM ION, ... Authors: Grandinetti, L, Bearne, S.L, St.Maurice, M. Deposit date: 2021-05-06 Release date: 2021-08-11 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.914 Å) Cite: Slow-Onset, Potent Inhibition of Mandelate Racemase by 2-Formylphenylboronic Acid. An Unexpected Adduct Clasps the Catalytic Machinery. Biochemistry, 2021
2CHR	A RE-EVALUATION OF THE CRYSTAL STRUCTURE OF CHLOROMUCONATE CYCLOISOMERASE Descriptor: CHLORIDE ION, CHLOROMUCONATE CYCLOISOMERASE, MANGANESE (II) ION Authors: Kleywegt, G.J, Jones, T.A. Deposit date: 1995-02-24 Release date: 1995-07-31 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (3 Å) Cite: A re-evaluation of the crystal structure of chloromuconate cycloisomerase. Acta Crystallogr.,Sect.D, 52, 1996
6VIM	P. putida mandelate racemase co-crystallized with phenylboronic acid Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Mandelate racemase, ... Authors: Grandinetti, L, Sharma, A.N, Bearne, S.L, St Maurice, M. Deposit date: 2020-01-13 Release date: 2020-08-05 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2 Å) Cite: Potent Inhibition of Mandelate Racemase by Boronic Acids: Boron as a Mimic of a Carbon Acid Center. Biochemistry, 59, 2020
5LYB	Crystal structure of the S.cerevisiae 80S ribosome in complex with the A-site bound aminoacyl-tRNA analog ACCPmn Descriptor: 18S rRNA, 25S rRNA, 40S Ribosomal Protein S12, ... Authors: Melnikov, S, Mailliot, J. Deposit date: 2016-09-26 Release date: 2016-11-23 Last modified: 2016-12-14 Method: X-RAY DIFFRACTION (3.25 Å) Cite: Molecular insights into protein synthesis with proline residues. EMBO Rep., 17, 2016
7Y7A	In situ double-PBS-PSII-PSI-LHCs megacomplex from Porphyridium purpureum. Descriptor: (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (2S)-2,3-dihydroxypropyl octadecanoate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... Authors: You, X, Zhang, X, Cheng, J, Xiao, Y.N, Sun, S, Sui, S.F. Deposit date: 2022-06-22 Release date: 2023-02-08 Last modified: 2023-04-19 Method: ELECTRON MICROSCOPY (4.3 Å) Cite: In situ structure of the red algal phycobilisome-PSII-PSI-LHC megacomplex. Nature, 616, 2023
5TGA	Crystal structure of the S.cerevisiae 80S ribosome in complex with the A-site bound aminoacyl-tRNA analog ACCA-Pro Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate), ... Authors: Melnikov, S, Mailliot, J. Deposit date: 2016-09-27 Release date: 2016-11-23 Last modified: 2016-12-14 Method: X-RAY DIFFRACTION (3.3 Å) Cite: Molecular insights into protein synthesis with proline residues. EMBO Rep., 17, 2016
4V6F	Elongation complex of the 70S ribosome with three tRNAs and mRNA. Descriptor: 16S ribosomal RNA, 23S RIBOSOMAL RNA, 23S RRNA, ... Authors: Jenner, L.B, Yusupova, G, Yusupov, M. Deposit date: 2009-07-09 Release date: 2014-07-09 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Structural aspects of messenger RNA reading frame maintenance by the ribosome. Nat.Struct.Mol.Biol., 17, 2010
4X2P	P. putida mandelate racemase in complex with 3-hydroxypyruvate Descriptor: 3-HYDROXYPYRUVIC ACID, MAGNESIUM ION, Mandelate racemase Authors: Wyatt, B.N, St.Maurice, M. Deposit date: 2014-11-26 Release date: 2015-10-14 Last modified: 2018-01-31 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Inactivation of Mandelate Racemase by 3-Hydroxypyruvate Reveals a Potential Mechanistic Link between Enzyme Superfamilies. Biochemistry, 54, 2015
4V9Q	Crystal Structure of Blasticidin S Bound to Thermus Thermophilus 70S Ribosome. Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... Authors: Svidritskiy, E, Ling, C, Ermolenko, D.N, Korostelev, A.A. Deposit date: 2013-06-12 Release date: 2014-07-09 Last modified: 2019-07-17 Method: X-RAY DIFFRACTION (3.4 Å) Cite: Blasticidin S inhibits translation by trapping deformed tRNA on the ribosome. Proc.Natl.Acad.Sci.USA, 110, 2013
4E4F	Crystal structure of enolase PC1_0802 (TARGET EFI-502240) from Pectobacterium carotovorum subsp. carotovorum PC1 Descriptor: CHLORIDE ION, FORMIC ACID, GLYCEROL, ... Authors: Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) Deposit date: 2012-03-12 Release date: 2012-03-28 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of ENOLASE PC1_0802 from Pectobacterium carotovorum To be Published

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