1ZHP
 
 | | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Benzamidine (S434A-T475A-K505 Mutant) | | Descriptor: | BENZAMIDINE, GLUTATHIONE, coagulation factor XI | | Authors: | Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E. | | Deposit date: | 2005-04-26 | | Release date: | 2005-09-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mutation of surface residues to promote crystallization of activated factor XI as a complex with benzamidine: an essential step for the iterative structure-based design of factor XI inhibitors.
Acta Crystallogr.,Sect.D, 61, 2005
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6LUH
 | | High resolution structure of N(omega)-hydroxy-L-arginine hydrolase | | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, N(omega)-hydroxy-L-arginine amidinohydrolase | | Authors: | Oda, K, Matoba, Y. | | Deposit date: | 2020-01-28 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of an Nomega-hydroxy-L-arginine hydrolase found in the D-cycloserine biosynthetic pathway.
Acta Crystallogr D Struct Biol, 76, 2020
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2NXG
 | | Structural and mechanistic changes along an engineered path from metallo to non-metallo KDO8P synthase. | | Descriptor: | (2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID, 2-dehydro-3-deoxyphosphooctonate aldolase, ARABINOSE-5-PHOSPHATE, ... | | Authors: | Kona, F, Xu, X, Martin, P, Kuzmic, P, Gatti, D.L. | | Deposit date: | 2006-11-17 | | Release date: | 2007-04-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and Mechanistic Changes along an Engineered Path from Metallo to Nonmetallo 3-Deoxy-d-manno-octulosonate 8-Phosphate Synthases.
Biochemistry, 46, 2007
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1PUY
 | | 1.5 A resolution structure of a synthetic DNA hairpin with a stilbenediether linker | | Descriptor: | 5'-D(*GP*TP*TP*TP*TP*GP*(S02)P*CP*AP*AP*AP*AP*C)-3', MAGNESIUM ION | | Authors: | Egli, M, Tereshko, V, Murshudov, G, Sanishvili, R, Liu, X, Lewis, F.D. | | Deposit date: | 2003-06-25 | | Release date: | 2003-10-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Face-to-face and edge-to-face pi-pi interactions in a synthetic DNA hairpin with a stilbenediether linker
J.Am.Chem.Soc., 125, 2003
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2OK2
 | | MutS C-terminal domain fused to Maltose Binding Protein | | Descriptor: | Maltose-binding periplasmic protein, DNA mismatch repair protein mutS fusion protein, SULFATE ION, ... | | Authors: | Putnam, C.D, Mendillo, M.L, Kolodner, R.D. | | Deposit date: | 2007-01-15 | | Release date: | 2007-04-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Escherichia coli MutS Tetramerization Domain Structure Reveals That Stable Dimers but Not Tetramers Are Essential for DNA Mismatch Repair in Vivo.
J.Biol.Chem., 282, 2007
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1XRV
 | | Crystal Structure of the novel secretory signalling protein from Porcine (SPP-40) at 2.1A resolution. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, signal processing protein | | Authors: | Srivastava, D.B, Ethayathulla, A.S, Singh, N, Sharma, S, Singh, T.P. | | Deposit date: | 2004-10-16 | | Release date: | 2004-11-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of the novel secretory signalling protein from Porcine (SPP-40) at 2.1A resolution.
TO BE PUBLISHED
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4DMW
 | | Crystal structure of the GT domain of Clostridium difficile toxin A (TcdA) in complex with UDP and Manganese | | Descriptor: | MANGANESE (II) ION, Toxin A, URIDINE-5'-DIPHOSPHATE | | Authors: | Malito, E, D'Urzo, N, Bottomley, M.J, Biancucci, M, Scarselli, M, Maione, D, Martinelli, M. | | Deposit date: | 2012-02-08 | | Release date: | 2012-07-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The structure of Clostridium difficile toxin A glucosyltransferase domain bound to Mn2+ and UDP provides insights into glucosyltransferase activity and product release.
Febs J., 279, 2012
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6LUG
 | | Crystal structure of N(omega)-hydroxy-L-arginine hydrolase | | Descriptor: | MANGANESE (II) ION, N(omega)-hydroxy-L-arginine amidinohydrolase | | Authors: | Oda, K, Matoba, Y. | | Deposit date: | 2020-01-28 | | Release date: | 2020-06-17 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of an Nomega-hydroxy-L-arginine hydrolase found in the D-cycloserine biosynthetic pathway.
Acta Crystallogr D Struct Biol, 76, 2020
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2GRX
 | | Crystal structure of TonB in complex with FhuA, E. coli outer membrane receptor for ferrichrome | | Descriptor: | 2-AMINO-VINYL-PHOSPHATE, 3-HYDROXY-TETRADECANOIC ACID, 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-[L-glycero-alpha-D-manno-heptopyranose-(1-5)]3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-6)-2-amino-2,3-dideoxy-alpha-D-glucoyranose-(1-6)-2-amino-2,3-dideoxy-alpha-D-glucoyranose, ... | | Authors: | Pawelek, P.D, Allaire, M, Coulton, J.W. | | Deposit date: | 2006-04-25 | | Release date: | 2006-06-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure of TonB in complex with FhuA, E. coli outer membrane receptor.
Science, 312, 2006
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1RBY
 | | Human GAR Tfase complex structure with 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid and substrate beta-GAR | | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-D-GLUTAMIC ACID, PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE | | Authors: | Zhang, Y, Desharnais, J, Boger, D.L, Wilson, I.A. | | Deposit date: | 2003-11-03 | | Release date: | 2005-06-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Human GAR Tfase complex structure
To be Published
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440D
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3DU3
 | | E(L212)A, D(L213)A, A(M249)Y triple mutant structure of photosynthetic reaction center | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ... | | Authors: | Pokkuluri, P.R, Schiffer, M. | | Deposit date: | 2008-07-16 | | Release date: | 2009-06-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | E(L212)A, D(L213)A, A(M249)Y triple mutant structure of photosynthetic reaction center
To be Published
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2EUM
 | | Crystal structure of human Glycolipid Transfer Protein complexed with 8:0 Lactosylceramide | | Descriptor: | DECANE, Glycolipid transfer protein, N-OCTANE, ... | | Authors: | Malinina, L, Malakhova, M.L, Kanack, A.T, Abagyan, R, Brown, R.E, Patel, D.J. | | Deposit date: | 2005-10-28 | | Release date: | 2006-11-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The liganding of glycolipid transfer protein is controlled by glycolipid acyl structure.
Plos Biol., 4, 2006
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3SEV
 | | Zn-mediated Trimer of Maltose-binding Protein E310H/K314H by Synthetic Symmetrization | | Descriptor: | CHLORIDE ION, Maltose-binding periplasmic protein, ZINC ION, ... | | Authors: | Zhao, M, Soriaga, A.B, Laganowsky, A, Sawaya, M.R, Cascio, D, Yeates, T.O. | | Deposit date: | 2011-06-11 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
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3S9A
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3PHQ
 | | Crystal structure of S64-4 in complex with KDO | | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, S64-4 Fab (IgG1) heavy chain, S64-4 Fab (IgG1) light chain | | Authors: | Evans, D.W, Evans, S.V. | | Deposit date: | 2010-11-04 | | Release date: | 2011-05-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural insights into parallel strategies for germline antibody recognition of lipopolysaccharide from Chlamydia.
Glycobiology, 21, 2011
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1ZEZ
 | | ACC Holliday Junction | | Descriptor: | 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3', CALCIUM ION | | Authors: | Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S. | | Deposit date: | 2005-04-19 | | Release date: | 2005-05-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | How sequence defines structure: a crystallographic map of DNA structure and conformation.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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4AZN
 | | Murine epidermal fatty acid-binding protein (FABP5), apo form, poly- his tag-mediated crystal packing | | Descriptor: | FATTY ACID-BINDING PROTEIN, EPIDERMAL | | Authors: | Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H. | | Deposit date: | 2012-06-26 | | Release date: | 2013-08-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Acta Crystallogr.,Sect.D, 70, 2014
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1ZF7
 | | GAC Duplex B-DNA | | Descriptor: | 5'-D(*CP*CP*GP*TP*CP*GP*AP*CP*GP*G)-3', CALCIUM ION, SODIUM ION | | Authors: | Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S. | | Deposit date: | 2005-04-20 | | Release date: | 2005-05-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | How sequence defines structure: a crystallographic map of DNA structure and conformation.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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2QAD
 | | Structure of tyrosine-sulfated 412d antibody complexed with HIV-1 YU2 gp120 and CD4 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ... | | Authors: | Huang, C.-C, Tang, M, Robinson, J, Wyatt, R, Kwong, P.D. | | Deposit date: | 2007-06-14 | | Release date: | 2007-09-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structures of the CCR5 N terminus and of a tyrosine-sulfated antibody with HIV-1 gp120 and CD4
Science, 317, 2007
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4NE2
 | | Pantothenamide-bound Pantothenate Kinase from Klebsiella pneumoniae | | Descriptor: | (R)-N-(3-((2-(benzo[d][1,3]dioxol-5-yl)ethyl)amino)-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Hughes, S.J, Antoshchenko, T, Kim, K.P, Smil, D, Park, H.W. | | Deposit date: | 2013-10-28 | | Release date: | 2014-02-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural characterization of a new N-substituted pantothenamide bound to pantothenate kinases from Klebsiella pneumoniae and Staphylococcus aureus.
Proteins, 82, 2014
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4HYM
 | | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. | | Descriptor: | 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one, Topoisomerase IV, subunit B | | Authors: | Bensen, D.C, Creighton, C.J, Kwan, B, Tari, L.W. | | Deposit date: | 2012-11-13 | | Release date: | 2013-02-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
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2FH8
 | | Crystal Structure Analysis of Klebsiella pneumoniae pullulanase complexed with isomaltose | | Descriptor: | Alpha-dextrin endo-1,6-alpha-glucosidase, CALCIUM ION, alpha-D-glucopyranose-(1-6)-beta-D-glucopyranose | | Authors: | Mikami, B, Iwamoto, H, Katsuya, Y, Yoon, H.-J, Demirkan-Sarikaya, E, Malle, D. | | Deposit date: | 2005-12-23 | | Release date: | 2006-06-13 | | Last modified: | 2022-03-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of pullulanase: evidence for parallel binding of oligosaccharides in the active site
J.Mol.Biol., 359, 2006
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1RBQ
 | | Human GAR Tfase complex structure with 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid | | Descriptor: | N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-D-GLUTAMIC ACID, PHOSPHATE ION, PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE | | Authors: | Zhang, Y, Desharnais, J, Boger, D.L, Wilson, I.A. | | Deposit date: | 2003-11-03 | | Release date: | 2005-06-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.104 Å) | | Cite: | Human GAR Tfase complex structure with polyglutamated
10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid
To be Published
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2F7O
 | | Golgi alpha-mannosidase II complex with mannostatin A | | Descriptor: | (1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kuntz, D.A, Rose, D.R. | | Deposit date: | 2005-12-01 | | Release date: | 2006-07-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Structural Basis of the Inhibition of Golgi alpha-Mannosidase II by Mannostatin A and the Role of the Thiomethyl Moiety in Ligand-Protein Interactions.
J.Am.Chem.Soc., 128, 2006
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