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3AS2	Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with Propentofylline Descriptor: 3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione, Chitinase A Authors: Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. Deposit date: 2010-12-09 Release date: 2011-04-20 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
3ARS	Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - apo structure of mutant W275G Descriptor: Chitinase A Authors: Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. Deposit date: 2010-12-09 Release date: 2011-04-20 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
3ARU	Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with PENTOXIFYLLINE Descriptor: 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, Chitinase A Authors: Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. Deposit date: 2010-12-09 Release date: 2011-04-20 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
1D62	THE STRUCTURE OF A /B-DNA$ DECAMER WITH AN I(SLASH)*A MISMATCH AND COMPARISON WITH THE G(SLASH)*A MISMATCH Descriptor: 5'-D(*CP*CP*AP*AP*IP*AP*TP*TP*GP*G)-3' Authors: Lipanov, A, Kopka, M.L, Kaczor-Grzeskowiak, M, Dickerson, R.E. Deposit date: 1992-03-01 Release date: 1993-07-15 Last modified: 2023-07-26 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure of the B-DNA decamer C-C-A-A-C-I-T-T-G-G in two different space groups: conformational flexibility of B-DNA. Biochemistry, 32, 1993
6FRJ	Crystal structure of scFv-SM3 in complex with APD-SeThrGalNAc-RP Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, APD-SeThr-RP, ... Authors: Companon, I, Castro-Lopez, J, Escudero-Casao, M, Avenoza, A, Busto, J.H, Castillon, S, Jimenez-Barbero, J, Bernardes, G.J, Boutureira, O, Jimenez-Oses, G, Asensio, J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. Deposit date: 2018-02-16 Release date: 2019-02-20 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Structure-Based Design of Potent Tumor-Associated Antigens: Modulation of Peptide Presentation by Single-Atom O/S or O/Se Substitutions at the Glycosidic Linkage. J. Am. Chem. Soc., 141, 2019
5D7U	Crystal structure of the C-terminal domain of MMTV integrase Descriptor: ISOPROPYL ALCOHOL, Pr160 Authors: Cook, N.J, Pye, V.E, Ballandras-Colas, A, Engelman, A, Cherepanov, P. Deposit date: 2015-08-14 Release date: 2016-02-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Cryo-EM reveals a novel octameric integrase structure for betaretroviral intasome function. Nature, 530, 2016
5NIE	Crystal structure of human LTA4H mutant R563A in open conformation Descriptor: Leukotriene A-4 hydrolase, ZINC ION Authors: Stsiapanava, A. Deposit date: 2017-03-23 Release date: 2017-08-23 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.603 Å) Cite: Capturing LTA4 hydrolase in action: Insights to the chemistry and dynamics of chemotactic LTB4 synthesis. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5VN4	Crystal structure of adenine phosphoribosyl transferase from Trypanosoma brucei in complex with AMP, pyrophosphate, and ribose-5-phosphate Descriptor: 5-O-phosphono-alpha-D-ribofuranose, ADENINE, Adenine phosphoribosyltransferase, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2017-04-28 Release date: 2017-05-24 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Crystal structure of adenine phosphoribosyl transferase from Trypanosoma brucei in complex with AMP, pyrophosphate, and ribose-5-phosphate to be published
3BM3	Restriction endonuclease PspGI-substrate DNA complex Descriptor: CITRIC ACID, DNA (5'-D(*CP*AP*TP*CP*CP*AP*GP*GP*TP*AP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*CP*CP*TP*GP*GP*AP*T)-3'), ... Authors: Szczepanowski, R.H, Carpenter, M, Czapinska, H, Tamulaitis, G, Siksnys, V, Bhagwat, A, Bochtler, M. Deposit date: 2007-12-12 Release date: 2008-09-16 Last modified: 2021-10-20 Method: X-RAY DIFFRACTION (1.7 Å) Cite: A direct crystallographic demonstration that Type II restriction endonuclease PspGI flips nucleotides To be Published
3G1J	Structure from the mobile metagenome of Vibrio cholerae. Integron cassette protein VCH_CASS4. Descriptor: Integron cassette protein Authors: Deshpande, C.N, Sureshan, V, Harrop, S.J, Boucher, Y, Xu, X, Cui, H, Edwards, A, Savchenko, A, Joachimiak, A, Tan, K, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG) Deposit date: 2009-01-30 Release date: 2009-02-24 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structure from the mobile metagenome of Vibrio cholerae. Integron cassette protein VCH_CASS4. To be published
6G6R	Human Methionine Adenosyltransferase II with SAMe and PPNP Descriptor: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, MAGNESIUM ION, ... Authors: Panmanee, J, Antonyuk, S.V, Hasnain, S.S. Deposit date: 2018-04-02 Release date: 2019-04-10 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds. Febs J., 286, 2019
5AHU	T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-1326 Descriptor: FARNESYL PYROPHOSPHATE SYNTHASE, PUTATIVE, MAGNESIUM ION, ... Authors: Yang, G, Oldfield, E, No, J.H. Deposit date: 2015-02-09 Release date: 2015-10-28 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.69 Å) Cite: Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation. Antimicrob.Agents Chemother., 59, 2015
1UPT	Structure of a complex of the golgin-245 GRIP domain with Arl1 Descriptor: ADP-RIBOSYLATION FACTOR-LIKE PROTEIN 1, GOLGI AUTOANTIGEN, GOLGIN SUBFAMILY A MEMBER 4, ... Authors: Panic, B, Perisic, O, Veprintsev, D.B, Williams, R.L, Munro, S. Deposit date: 2003-10-12 Release date: 2003-10-30 Last modified: 2019-10-23 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structural Basis for Arl1-Dependent Targeting of Homodimeric Grip Domains to the Golgi Apparatus Mol.Cell, 12, 2003
5G5V	Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-038 Descriptor: (4AS,8AR)-4-(3-{4-[(3R)-3-HYDROXYPYRROLIDINE-1-, 1,2-ETHANEDIOL, FORMIC ACID, ... Authors: Singh, A.K, Brown, D.G. Deposit date: 2016-06-06 Release date: 2018-03-14 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
2XV7	Crystal structure of vascular endothelial growth factor D Descriptor: VASCULAR ENDOTHELIAL GROWTH FACTOR D, alpha-D-mannopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose Authors: Leppanen, V.-M, Jeltsch, M, Anisimov, A, Tvorogov, D, Aho, K, Kalkkinen, N, Toivanen, P, Yla-Herttuala, S, Ballmer-Hofer, K, Alitalo, K. Deposit date: 2010-10-23 Release date: 2011-01-12 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Structural Determinants of Vascular Endothelial Growth Factor-D - Receptor Binding and Specificity. Blood, 117, 2011
1T2K	Structure Of The DNA Binding Domains Of IRF3, ATF-2 and Jun Bound To DNA Descriptor: 31-MER, Cyclic-AMP-dependent transcription factor ATF-2, Interferon regulatory factor 3, ... Authors: Panne, D, Maniatis, T, Harrison, S.C. Deposit date: 2004-04-21 Release date: 2004-11-16 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (3 Å) Cite: Crystal structure of ATF-2/c-Jun and IRF-3 bound to the interferon-beta enhancer. Embo J., 23, 2004
3GK6	Crystal structure from the mobile metagenome of Vibrio cholerae. Integron cassette protein VCH_CASS2. Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Integron cassette protein VCH_CASS2 Authors: Deshpande, C.N, Sureshan, V, Harrop, S.J, Boucher, Y, Xu, X, Cui, H, Edwards, A.M, Savchenko, A, Joachimiak, A, Chang, C, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG) Deposit date: 2009-03-10 Release date: 2009-03-24 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal Structure of an Integron Gene Cassette-Associated Protein from Vibrio cholerae Identifies a Cationic Drug-Binding Module. Plos One, 6, 2011
1QZU	crystal structure of human phosphopantothenoylcysteine decarboxylase Descriptor: FLAVIN MONONUCLEOTIDE, hypothetical protein MDS018 Authors: Manoj, N, Ealick, S.E. Deposit date: 2003-09-17 Release date: 2004-03-23 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.91 Å) Cite: Unusual space-group pseudosymmetry in crystals of human phosphopantothenoylcysteine decarboxylase. Acta Crystallogr.,Sect.D, 59, 2003
1EPO	ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH CP-81,282 (MOR PHE NLE CHF NME) Descriptor: ENDOTHIAPEPSIN, N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-L-norleucinamide Authors: Veerapandian, B, Cooper, J.B, Blundell, T.L. Deposit date: 1994-07-27 Release date: 1994-12-20 Last modified: 2017-11-29 Method: X-RAY DIFFRACTION (2 Å) Cite: Direct observation by X-ray analysis of the tetrahedral intermediate of aspartic proteinases. Protein Sci., 1, 1992
5E5U	Crystal structure of the complex between Carbonic anhydrase-like domain of PTPRG and Immunoglobulin domains 2-3 of CNTN6 Descriptor: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ACETIC ACID, Contactin-6, ... Authors: Nikolaienko, R.M, Bouyain, S. Deposit date: 2015-10-09 Release date: 2016-08-31 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural Basis for Interactions Between Contactin Family Members and Protein-tyrosine Phosphatase Receptor Type G in Neural Tissues. J.Biol.Chem., 291, 2016
4OKN	Crystal structure of human muscle L-lactate dehydrogenase, ternary complex with NADH and oxalate Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, KANAMYCIN A, L-lactate dehydrogenase A chain, ... Authors: Kolappan, S, Craig, L. Deposit date: 2014-01-22 Release date: 2014-12-03 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structures of lactate dehydrogenase A (LDHA) in apo, ternary and inhibitor-bound forms. Acta Crystallogr.,Sect.D, 71, 2015
1OPG	OPG2 FAB FRAGMENT Descriptor: OPG2 FAB (HEAVY CHAIN), OPG2 FAB (LIGHT CHAIN) Authors: Kodandapani, R, Veerapandian, B, Ely, K.R. Deposit date: 1995-04-28 Release date: 1995-07-31 Last modified: 2024-06-05 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of the OPG2 Fab. An antireceptor antibody that mimics an RGD cell adhesion site. J.Biol.Chem., 270, 1995
4QIV	Crystal structure of hexameric microcomparment shell protein from Aeromonas hydrophila Descriptor: Bacterial microcompartments family protein Authors: Pang, A.H, Sawaya, M.R, Yeates, T.O. Deposit date: 2014-06-02 Release date: 2015-08-12 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Crystal structure of a hexameric microcomparment protein from Aeromonas hydrophila To be Published
4P7S	Crystal structure of PfMIF in complex with 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine Descriptor: 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine, Macrophage migration inhibitory factor-like protein Authors: Pantouris, G, Lolis, E. Deposit date: 2014-03-27 Release date: 2014-10-15 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.87 Å) Cite: Crystallographic and Receptor Binding Characterization of Plasmodium falciparum Macrophage Migration Inhibitory Factor Complexed to Two Potent Inhibitors. J.Med.Chem., 57, 2014
5CUX	Crystal structure of N-terminal domain truncated Trypanosoma cruzi Vacuolar Soluble Pyrophosphatases in complex with PPi Descriptor: Acidocalcisomal pyrophosphatase, PHOSPHATE ION, PYROPHOSPHATE 2- Authors: Liu, W.D, Yang, Y.Y, Ko, T.P, Zheng, Y.Y, Chen, C.C, Guo, R.T. Deposit date: 2015-07-25 Release date: 2016-03-02 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Crystal structure of Trypanosoma cruzi protein in complex with ligand Acs Chem.Biol., 2016

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