4MKK
 
 | | Crystal structure of C115A mutant L-methionine gamma-lyase from Citrobacter freundii modified by allicine | | Descriptor: | CHLORIDE ION, Methionine gamma-lyase, POTASSIUM ION, ... | | Authors: | Revtovich, S.V, Nikulin, A.D, Morozova, E.A, Zakomirdina, L.N, Demidkina, T.V. | | Deposit date: | 2013-09-05 | | Release date: | 2014-11-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Alliin is a suicide substrate of Citrobacter freundii methionine gamma-lyase: structural bases of inactivation of the enzyme.
Acta Crystallogr.,Sect.D, 70, 2014
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2GFT
 | | Crystal structure of the E263A nucleophile mutant of Bacillus licheniformis endo-beta-1,4-galactanase in complex with galactotriose | | Descriptor: | CALCIUM ION, Glycosyl Hydrolase Family 53, beta-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose | | Authors: | Welner, D, Le Nours, J, De Maria, L, Jorgensen, C.T, Christensen, L.L.H, Larsen, S, Lo Leggio, L. | | Deposit date: | 2006-03-23 | | Release date: | 2006-06-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Oligosaccharide binding of Bacillus licheniformis endo-beta-1,4-galactanase
To be Published
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1Q0L
 | | Crystal structure of DXR in complex with fosmidomycin | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Mac Sweeney, A, Lange, R, D'Arcy, A, Douangamath, A, Surivet, J.-P, Oefner, C. | | Deposit date: | 2003-07-16 | | Release date: | 2004-07-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The crystal structure of E.coli 1-deoxy-D-xylulose-5-phosphate reductoisomerase in a ternary complex with the antimalarial compound fosmidomycin and NADPH reveals a tight-binding closed enzyme conformation.
J.Mol.Biol., 345, 2005
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2P4B
 | | Crystal structure of E.coli RseB | | Descriptor: | Sigma-E factor regulatory protein rseB, octyl beta-D-glucopyranoside | | Authors: | Kim, D.Y, Kim, K.K. | | Deposit date: | 2007-03-12 | | Release date: | 2007-05-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of RseB and a model of its binding mode to RseA
Proc.Natl.Acad.Sci.Usa, 104, 2007
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1DNS
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2QRP
 | | Glycogen Phosphorylase b in complex with (1R)-3'-(2-naphthyl)-spiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline] | | Descriptor: | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | | Authors: | Gizilis, G, Alexacou, K.M, Chrysina, E.D, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G. | | Deposit date: | 2007-07-28 | | Release date: | 2008-07-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Glucose-based spiro-isoxazolines: a new family of potent glycogen phosphorylase inhibitors.
Bioorg.Med.Chem., 17, 2009
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4OFW
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1XCW
 | | Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-amylase, ... | | Authors: | Li, C, Begum, A, Numao, S, Park, K.H, Withers, S.G, Brayer, G.D. | | Deposit date: | 2004-09-03 | | Release date: | 2004-12-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts
Biochemistry, 44, 2005
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6MZO
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1N0O
 | | NMR Structure of d(CCAAGGXCTTGGG), X is a 3'-phosphoglycolate, 5'-phosphate gapped lesion, 10 structures | | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, 5'-D(*CP*CP*AP*AP*GP*G)-3', 5'-D(*CP*CP*CP*AP*AP*GP*GP*CP*CP*TP*TP*GP*G)-3', ... | | Authors: | Junker, H.-D, Hoehn, S.T, Bunt, R.C, Marathius, V, Chen, J, Turner, C.J, Stubbe, J. | | Deposit date: | 2002-10-14 | | Release date: | 2003-01-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Synthesis, Characterization, and Solution Structure of Tethered Oligonucleotides Containing an Internal 3'-Phosphoglycolate, 5'-Phosphate Gapped Lesion
Nucleic Acids Res., 30, 2002
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4N02
 | | Type 2 IDI from S. pneumoniae | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Isopentenyl-diphosphate delta-isomerase, SULFATE ION | | Authors: | de Ruyck, J, Schubert, H.L, Poulter, C.D. | | Deposit date: | 2013-09-30 | | Release date: | 2014-07-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Determination of Kinetics and the Crystal Structure of a Novel Type 2 Isopentenyl Diphosphate: Dimethylallyl Diphosphate Isomerase from Streptococcus pneumoniae.
Chembiochem, 15, 2014
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2GAL
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1IXJ
 | | Crystal Structure of d(GCGAAAGCT) Containing Parallel-stranded Duplex with Homo Base Pairs and Anti-Parallel Duplex with Watson-Crick Base pairs | | Descriptor: | 5'-D(*GP*CP*GP*AP*AP*AP*GP*CP*T)-3', COBALT HEXAMMINE(III), MAGNESIUM ION | | Authors: | Sunami, T, Kondo, J, Kobuna, T, Hirao, I, Watanabe, K, Miura, K, Takenaka, A. | | Deposit date: | 2002-06-22 | | Release date: | 2002-12-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of d(GCGAAAGCT) Containing a Parallel-stranded Duplex with Homo Base Pairs and an Anti-Parallel Duplex with Watson-Crick Base pairs
Nucleic Acids Res., 30, 2002
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3QW7
 | | Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RRFC | | Descriptor: | Botulinum neurotoxin type A, SODIUM ION, SULFATE ION, ... | | Authors: | Kumaran, D, Swaminathan, S. | | Deposit date: | 2011-02-27 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling.
Acta Crystallogr.,Sect.D, 68, 2012
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1XHO
 | | Chorismate mutase from Clostridium thermocellum Cth-682 | | Descriptor: | Chorismate mutase, UNKNOWN ATOM OR ION | | Authors: | Xu, H, Chen, L, Lee, D, Habel, J.E, Nguyen, J, Chang, S.-H, Kataeva, I, Chang, J, Zhao, M, Yang, H, Horanyi, P, Florence, Q, Tempel, W, Zhou, W, Lin, D, Zhang, H, Praissman, J, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Ljungdahl, L, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-09-20 | | Release date: | 2004-11-23 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Away from the edge II: in-house Se-SAS phasing with chromium radiation.
Acta Crystallogr.,Sect.D, 61, 2005
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3MA6
 | | Crystal structure of kinase domain of TgCDPK1 in presence of 3BrB-PP1 | | Descriptor: | 3-(3-bromobenzyl)-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 | | Authors: | Wernimont, A.K, Qiu, W, Amani, M, Artz, J.D, Hassani, A.A, Senisterra, G, Vedadi, M, Sibley, L.D, Lourido, S, Shokat, K, Zhang, C, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-03-23 | | Release date: | 2010-07-21 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of kinase domain of TgCDPK1 in presence of 3BrB-PP1
To be Published
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1XX9
 | | Crystal Structure of the FXIa Catalytic Domain in Complex with EcotinM84R | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XI, Ecotin | | Authors: | Jin, L, Pandey, P, Babine, R.E, Gorga, J.C, Seidl, K.J, Gelfand, E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E. | | Deposit date: | 2004-11-04 | | Release date: | 2004-11-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structures of the FXIa Catalytic Domain in Complex with Ecotin Mutants Reveal Substrate-like Interactions
J.Biol.Chem., 280, 2005
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3EJ9
 | | Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity | | Descriptor: | Alpha-subunit of trans-3-chloroacrylic acid dehalogenase, Beta-subunit of trans-3-chloroacrylic acid dehalogenase | | Authors: | Pegan, S, Serrano, H, Whitman, C.P, Mesecar, A.D. | | Deposit date: | 2008-09-17 | | Release date: | 2008-12-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity.
Acta Crystallogr.,Sect.D, 64, 2008
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3QW6
 | | Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RYGC | | Descriptor: | Botulinum neurotoxin type A, SODIUM ION, SULFATE ION, ... | | Authors: | Kumaran, D, Swaminathan, S. | | Deposit date: | 2011-02-26 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling.
Acta Crystallogr.,Sect.D, 68, 2012
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1D85
 | | STRUCTURAL CONSEQUENCES OF A CARCINOGENIC ALKYLATION LESION ON DNA: EFFECT OF O6-ETHYL-GUANINE ON THE MOLECULAR STRUCTURE OF D(CGC[E6G]AATTCGCG)-NETROPSIN COMPLEX | | Descriptor: | DNA (5'-D(*CP*GP*CP*(G36)P*AP*AP*TP*TP*CP*GP*CP*G)-3'), NETROPSIN | | Authors: | Sriram, M, Van Der Marel, G.A, Roelen, H.L.P.F, Van Boom, J.H, Wang, A.H.-J. | | Deposit date: | 1992-08-24 | | Release date: | 1993-07-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural consequences of a carcinogenic alkylation lesion on DNA: effect of O6-ethylguanine on the molecular structure of the d(CGC[e6G]AATTCGCG)-netropsin complex.
Biochemistry, 31, 1992
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5SGO
 | | Crystal Structure of human phosphodiesterase 10 in complex with N-[3-[3-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxypropoxy]phenyl]acetamide | | Descriptor: | BETA-MERCAPTOETHANOL, N-[3-(3-{[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy}propoxy)phenyl]acetamide, ZINC ION, ... | | Authors: | Joseph, C, Benz, J, Flohr, A, Leal, L, Rudolph, M.G. | | Deposit date: | 2022-02-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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1N0K
 | | NMR Structure of duplex DNA d(CCAAGGXCTTGGG), X is a 3' phosphoglycolate, 5'phosphate gapped lesion | | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, 5'-D(*CP*CP*AP*AP*GP*G)-3', 5'-D(*CP*CP*CP*AP*AP*GP*GP*CP*CP*TP*TP*GP*G)-3', ... | | Authors: | Junker, H.-D, Hoehn, S.T, Bunt, R.C, Marathius, V, Chen, J, Turner, C.J, Stubbe, J. | | Deposit date: | 2002-10-14 | | Release date: | 2003-01-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Synthesis, Characterization and Solution Structure of Tethered Oligonucleotides Containing an Internal 3'-Phosphoglycolate, 5'-Phosphate Gapped Lesion
Nucleic Acids Res., 30, 2002
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4OZR
 | | Crystal structure of the ligand binding domains of the Bovicola ovis ecdysone receptor EcR/USP heterodimer (methylene lactam crystal) | | Descriptor: | Ecdysone receptor, Retinoid X receptor | | Authors: | Ren, B, Peat, T.S, Streltsov, V.A, Pollard, M, Fernley, R, Grusovin, J, Seabrook, S, Pilling, P, Phan, T, Lu, L, Lovrecz, G.O, Graham, L.D, Hill, R.J. | | Deposit date: | 2014-02-18 | | Release date: | 2014-07-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Unprecedented conformational flexibility revealed in the ligand-binding domains of the Bovicola ovis ecdysone receptor (EcR) and ultraspiracle (USP) subunits.
Acta Crystallogr.,Sect.D, 70, 2014
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5SHQ
 | | Crystal Structure of human phosphodiesterase 10 in complex with 4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine | | Descriptor: | 4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Joseph, C, Benz, J, Flohr, A, Brunner, M, Rudolph, M.G. | | Deposit date: | 2022-02-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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2QKI
 | | Human C3c in complex with the inhibitor compstatin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, Complement C3, ... | | Authors: | Janssen, B.J.C, Halff, E.F, Lambris, J.D, Gros, P. | | Deposit date: | 2007-07-11 | | Release date: | 2007-08-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of compstatin in complex with complement component C3c reveals a new mechanism of complement inhibition.
J.Biol.Chem., 282, 2007
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