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3EOV	Crystal structure of cyclophilin from Leishmania donovani ligated with cyclosporin A Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE Authors: Venugopal, V, Dasgupta, D, Datta, A.K, Banerjee, R. Deposit date: 2008-09-29 Release date: 2008-11-11 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structure of Cyclophilin from Leishmania Donovani Bound to Cyclosporin at 2.6 A Resolution: Correlation between Structure and Thermodynamic Data. Acta Crystallogr.,Sect.D, 65, 2009
1S4A	NMR Structure of a D,L alternating decamer of norleucine: double antiparallel beta-helix Descriptor: HCO-(D-Nle-L-Nle)3-D-MeNle-L-Nle-D-Nle-L-Nle-OMe Authors: Navarro, E, Fenude, E, Celda, B. Deposit date: 2004-01-15 Release date: 2004-02-24 Last modified: 2023-11-15 Method: SOLUTION NMR Cite: Conformational and structural analysis of the equilibrium between single- and double-strand beta-helix of a D,L-alternating oligonorleucine. Biopolymers, 73, 2004
1HDU	Crystal structure of bovine pancreatic carboxypeptidase A complexed with aminocarbonylphenylalanine at 1.75 A Descriptor: CARBOXYPEPTIDASE A, D-[(AMINO)CARBONYL]PHENYLALANINE, ZINC ION Authors: Cho, J.H, Ha, N.-C, Chung, S.J, Kim, D.H, Choi, K.Y, Oh, B.-H. Deposit date: 2000-11-17 Release date: 2001-11-15 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Insight Into the Stereochemistry in the Inhibition of Carboxypeptidase a with N-(Hydroxyaminocarbonyl)Phenylalanine: Binding Modes of an Enantiomeric Pair of the Inhibitor to Carboxypeptidase A Bioorg.Med.Chem., 10, 2002
3WQF	D-threo-3-hydroxyaspartate dehydratase from Delftia sp. HT23 in the metal-free form Descriptor: D-threo-3-hydroxyaspartate dehydratase, PYRIDOXAL-5'-PHOSPHATE Authors: Yasutake, Y, Matsumoto, Y, Wada, M. Deposit date: 2014-01-25 Release date: 2015-01-28 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural insights into the substrate stereospecificity of D-threo-3-hydroxyaspartate dehydratase from Delftia sp. HT23: a useful enzyme for the synthesis of optically pure L-threo- and D-erythro-3-hydroxyaspartate Appl.Microbiol.Biotechnol., 99, 2015
3WQG	D-threo-3-hydroxyaspartate dehydratase C353A mutant in the metal-free form Descriptor: D-threo-3-hydroxyaspartate dehydratase, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE Authors: Yasutake, Y, Matsumoto, Y, Wada, M. Deposit date: 2014-01-25 Release date: 2015-01-28 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Structural insights into the substrate stereospecificity of D-threo-3-hydroxyaspartate dehydratase from Delftia sp. HT23: a useful enzyme for the synthesis of optically pure L-threo- and D-erythro-3-hydroxyaspartate Appl.Microbiol.Biotechnol., 99, 2015
2QJM	Crystal structure of the K271E mutant of Mannonate dehydratase from Novosphingobium aromaticivorans complexed with Mg and D-mannonate Descriptor: D-MANNONIC ACID, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme Authors: Fedorov, A.A, Fedorov, E.V, Rakus, J.F, Vick, J.E, Gerlt, J.A, Almo, S.C. Deposit date: 2007-07-08 Release date: 2007-10-30 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Evolution of enzymatic activities in the enolase superfamily: D-Mannonate dehydratase from Novosphingobium aromaticivorans. Biochemistry, 46, 2007
2DNS	The crystal structure of D-amino acid amidase from Ochrobactrum anthropi SV3 complexed with D-Phenylalanine Descriptor: BARIUM ION, D-PHENYLALANINE, D-amino acid amidase Authors: Okazaki, S, Suzuki, A, Komeda, H, Asano, Y, Yamane, T. Deposit date: 2006-04-26 Release date: 2006-05-09 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Crystal Structure and Functional Characterization of a D-Stereospecific Amino Acid Amidase from Ochrobactrum anthropi SV3, a New Member of the Penicillin-recognizing Proteins J.Mol.Biol., 368, 2007
3TRV	Crystal structure of quasiracemic villin headpiece subdomain containing (F5Phe17) substitution Descriptor: D-Villin-1, ISOPROPYL ALCOHOL, L-Villin-1, ... Authors: Mortenson, D.E, Satyshur, K.A, Gellman, S.H, Forest, K.T. Deposit date: 2011-09-11 Release date: 2012-01-25 Last modified: 2017-11-08 Method: X-RAY DIFFRACTION (1 Å) Cite: Quasiracemic crystallization as a tool to assess the accommodation of noncanonical residues in nativelike protein conformations. J.Am.Chem.Soc., 134, 2012
2I57	Crystal Structure of L-Rhamnose Isomerase from Pseudomonas stutzeri in Complex with D-Allose Descriptor: D-ALLOSE, L-rhamnose isomerase, ZINC ION Authors: Yoshida, H, Yamada, M, Takada, G, Izumori, K, Kamitori, S. Deposit date: 2006-08-24 Release date: 2006-12-19 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.97 Å) Cite: The Structures of l-Rhamnose Isomerase from Pseudomonas stutzeri in Complexes with l-Rhamnose and d-Allose Provide Insights into Broad Substrate Specificity J.Mol.Biol., 365, 2007
2JUE	Solution structure of the all-D kalata B1 Descriptor: Kalata-B1 Authors: Daly, N.L, Sando, L, Craik, D. Deposit date: 2007-08-23 Release date: 2008-08-05 Last modified: 2020-08-12 Method: SOLUTION NMR Cite: A Synthetic mirror image of kalata B1 reveals that cyclotide activity is independent of a protein receptor. Chembiochem, 12, 2011
2KQL	Maurocalcine in D configuration from Scorpio maurus palmatus Descriptor: D-MAUROCALCINE Authors: Dridi, K, Bernard, C, Darbon, H. Deposit date: 2009-11-11 Release date: 2010-07-07 Last modified: 2022-03-16 Method: SOLUTION NMR Cite: Maurocalcine in D configuration from Scorpio maurus palmatus To be Published
4U8Z	Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06447475) Descriptor: 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, MANGANESE (II) ION, Serine/threonine-protein kinase 24 Authors: Jasti, J, Song, X, Griffor, M, Kurumbail, R.G. Deposit date: 2014-08-05 Release date: 2015-03-18 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.63 Å) Cite: Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor. J.Med.Chem., 58, 2015
4U2Y	Sco GlgEI-V279S in Complex with Reaction Intermediate Azasugar Descriptor: (2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alpha-D-glucopyranoside, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1 Authors: Ronning, D.R, Lindenberger, J.J. Deposit date: 2014-07-18 Release date: 2015-08-12 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.483 Å) Cite: Crystal structures of Mycobacterium tuberculosis GlgE and complexes with non-covalent inhibitors. Sci Rep, 5, 2015
4UDJ	Crystal structure of b-1,4-mannopyranosyl-chitobiose phosphorylase at 1.60 Angstrom in complex with beta-D-mannopyranose and inorganic phosphate Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, POTASSIUM ION, ... Authors: Ladeveze, S, Cioci, G, Potocki-Veronese, G, Tranier, S, Mourey, L. Deposit date: 2014-12-10 Release date: 2015-05-27 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Structural Bases for N-Glycan Processing by Mannoside Phosphorylase. Acta Crystallogr.,Sect.D, 71, 2015
4U31	Sco GlgEI-V279S in Complex with maltose-C-phosphonate Descriptor: 1,2-ETHANEDIOL, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, CITRIC ACID, ... Authors: Ronning, D.R, Lindenberger, J.J. Deposit date: 2014-07-18 Release date: 2015-07-22 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.849 Å) Cite: Crystal structures of Mycobacterium tuberculosis GlgE and complexes with non-covalent inhibitors. Sci Rep, 5, 2015
4U33	Structure of Mtb GlgE bound to maltose Descriptor: Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose Authors: Ronning, D.R, Lindenberger, J.J. Deposit date: 2014-07-18 Release date: 2015-07-22 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (3.293 Å) Cite: Crystal structures of Mycobacterium tuberculosis GlgE and complexes with non-covalent inhibitors. Sci Rep, 5, 2015
4U3C	Docking Site of Maltohexaose in the Mtb GlgE Descriptor: Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose Authors: Ronning, D.R, Lindenberger, J.J. Deposit date: 2014-07-19 Release date: 2015-07-22 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (3.98 Å) Cite: Crystal structures of Mycobacterium tuberculosis GlgE and complexes with non-covalent inhibitors. Sci Rep, 5, 2015
4WM9	Acinetobacter baumanii OXA-24 complex with Avibactam Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ... Authors: Mangani, S, Benvenuti, M, Docquier, J.-D. Deposit date: 2014-10-08 Release date: 2014-12-03 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Molecular Basis of Selective Inhibition and Slow Reversibility of Avibactam against Class D Carbapenemases: A Structure-Guided Study of OXA-24 and OXA-48. Acs Chem.Biol., 10, 2015
4WMC	OXA-48 covalent complex with Avibactam inhibitor Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CARBON DIOXIDE Authors: Mangani, S, Benvenuti, M, Docquier, J.D. Deposit date: 2014-10-08 Release date: 2014-12-03 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Molecular Basis of Selective Inhibition and Slow Reversibility of Avibactam against Class D Carbapenemases: A Structure-Guided Study of OXA-24 and OXA-48. Acs Chem.Biol., 10, 2015
6Q1D	Holo YfeA reconstituted by zinc soaking Descriptor: Periplasmic chelated iron-binding protein YfeA, ZINC ION Authors: Radka, C.D, Labiuk, S.L, DeLucas, L.J, Aller, S.G. Deposit date: 2019-08-03 Release date: 2019-09-04 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.79 Å) Cite: Structures of the substrate-binding protein YfeA in apo and zinc-reconstituted holo forms. Acta Crystallogr D Struct Biol, 75, 2019
7AM6	Crystal structure of Peptiligase mutant - L217H/M222P/A225N/F189W Descriptor: D(-)-TARTARIC ACID, GLYCEROL, LEU-PRO-GLU-GLY-SER-PRO-VAL-THR-ASP-LEU-ARG-TYR, ... Authors: Rozeboom, H.J, Janssen, D.J. Deposit date: 2020-10-08 Release date: 2021-02-17 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.7 Å) Cite: From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase. Comput Struct Biotechnol J, 19, 2021
2BO8	DISSECTION OF MANNOSYLGLYCERATE SYNTHASE: AN ARCHETYPAL MANNOSYLTRANSFERASE Descriptor: CHLORIDE ION, GUANOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), P'-D-MANNOPYRANOSYL ESTER, ... Authors: Flint, J, Taylor, E, Yang, M, Bolam, D.N, Tailford, L.E, Martinez-Fleites, C, Dodson, E.J, Davis, B.G, Gilbert, H.J, Davies, G.J. Deposit date: 2005-04-08 Release date: 2005-06-06 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Structural dissection and high-throughput screening of mannosylglycerate synthase. Nat. Struct. Mol. Biol., 12, 2005
4KSH	Dna gyrase atp binding domain of enterococcus faecalis in complex with a small molecule inhibitor (7-({4-[(3R)-3-AMINOPYRROLIDIN-1-YL]-5-CHLORO-6-ETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-2-YL}SULFANYL)-1,5-NAPHTHYRIDIN-1(4H)-OL) Descriptor: 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1,5-naphthyridin-1(4H)-ol, DNA gyrase subunit B, GLYCEROL Authors: Bensen, D.C, Akers-Rodriguez, S, Tari, L.W. Deposit date: 2013-05-17 Release date: 2014-01-15 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.7 Å) Cite: A new class of type iia topoisomerase inhibitors with broad-spectrum antibacterial activity To be Published
1S2J	Crystal structure of the Drosophila pattern-recognition receptor PGRP-SA Descriptor: PHOSPHATE ION, Peptidoglycan recognition protein SA CG11709-PA Authors: Chang, C.-I, Pili-Floury, S, Chelliah, Y, Lemaitre, B, Mengin-Lecreulx, D, Deisenhofer, J. Deposit date: 2004-01-08 Release date: 2004-09-14 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.2 Å) Cite: A Drosophila pattern recognition receptor contains a peptidoglycan docking groove and unusual l,d-carboxypeptidase activity. PLOS BIOL., 2, 2004
7AEN	Galectin-8 N-terminal carbohydrate recognition domain in complex with methyl 3-O-((7-carboxy)quinolin-2-yl)-methoxy)-beta-D-galactopyranoside Descriptor: CHLORIDE ION, GLYCEROL, Isoform 2 of Galectin-8, ... Authors: Hassan, M, Klavern, V.S, Hakansson, M, Anderluh, M, Tomasic, T, Jakopin, Z, Nilsson, J.U, Kovacic, R, Walse, B, Diehl, C. Deposit date: 2020-09-17 Release date: 2021-07-28 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Structure-Guided Design of d-Galactal Derivatives with High Affinity and Selectivity for the Galectin-8 N-Terminal Domain Acs Med.Chem.Lett., 12, 2021

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