3HDN
 
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3HDM
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4CGJ
 | | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | | Descriptor: | 5-[[(1S,2S)-2-(6-azanylhexanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, INTEGRASE, ... | | Authors: | Peat, T.S. | | Deposit date: | 2013-11-25 | | Release date: | 2013-12-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
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4CHQ
 | | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | | Descriptor: | 1,2-ETHANEDIOL, 5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, ... | | Authors: | Peat, T.S. | | Deposit date: | 2013-12-04 | | Release date: | 2013-12-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
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4CJP
 | | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | | Descriptor: | 5-[(2S)-4-methyl-2-[(pyridin-3-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid, CHLORIDE ION, INTEGRASE, ... | | Authors: | Peat, T.S. | | Deposit date: | 2013-12-22 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
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4CK2
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4CPF
 | | Wild-type streptavidin in complex with love-hate ligand 3 (LH3) | | Descriptor: | STREPTAVIDIN, methyl 4-(2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H- thieno[3,4-d]imidazolidin-4-yl]pentanehydrazido}-3- [4-(methoxycarbonyl)phenyl]phenyl)benzoate | | Authors: | Fairhead, M, Shen, D, Chan, L.K.M, Lowe, E.D, Donohoe, T.J, Howarth, M. | | Deposit date: | 2014-02-06 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Love-Hate Ligands for High Resolution Analysis of Strain in Ultra-Stable Protein/Small Molecule Interaction.
Bioorg.Med.Chem., 22, 2014
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4CTO
 | | Glucopyranosylidene-spiro-iminothiazolidinone, a New Bicyclic Ring System: Synthesis, Derivatization, and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetic and Crystallographic Methods | | Descriptor: | GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, N-[(2Z,5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]benzamide, ... | | Authors: | Alexacou, K.M, Papakonstantinou, M, Leonidas, D.D, Zographos, S.E, Chrysina, E.D. | | Deposit date: | 2014-03-15 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Glucopyranosylidene-Spiro-Iminothiazolidinone, a New Bicyclic Ring System: Synthesis, Derivatization, and Evaluation for Inhibition of Glycogen Phosphorylase by Enzyme Kinetic and Crystallographic Methods.
Bioorg.Med.Chem., 22, 2014
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4CJT
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4CPE
 | | Wild-type streptavidin in complex with love-hate ligand 1 (LH1) | | Descriptor: | (3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4- d]imidazolidin-4-yl]-N-{2-[(2,6- diphenylphenyl)formamido]ethyl}pentanamide, STREPTAVIDIN | | Authors: | Fairhead, M, Shen, D, Chan, L.K.M, Lowe, E.D, Donohoe, T.J, Howarth, M. | | Deposit date: | 2014-02-06 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Love-Hate Ligands for High Resolution Analysis of Strain in Ultra-Stable Protein/Small Molecule Interaction.
Bioorg.Med.Chem., 22, 2014
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4E3U
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4EA8
 | | X-ray crystal structure of PerB from Caulobacter crescentus in complex with coenzyme A and GDP-N-acetylperosamine at 1 Angstrom resolution | | Descriptor: | CHLORIDE ION, COENZYME A, GDP-N-acetylperosamine, ... | | Authors: | Thoden, J.B, Reinhardt, L.A, Cook, P.D, Menden, P, Cleland, W.W, Holden, H.M. | | Deposit date: | 2012-03-22 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Catalytic Mechanism of Perosamine N-Acetyltransferase Revealed by High-Resolution X-ray Crystallographic Studies and Kinetic Analyses.
Biochemistry, 51, 2012
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1IFW
 | | SOLUTION STRUCTURE OF C-TERMINAL DOMAIN OF POLY(A) BINDING PROTEIN FROM SACCHAROMYCES CEREVISIAE | | Descriptor: | POLYADENYLATE-BINDING PROTEIN, CYTOPLASMIC AND NUCLEAR | | Authors: | Kozlov, G, Siddiqui, N, Coillet-Matillon, S, Sprules, T, Ekiel, I, Gehring, K. | | Deposit date: | 2001-04-13 | | Release date: | 2002-07-24 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the orphan PABC domain from Saccharomyces cerevisiae poly(A)-binding protein.
J.Biol.Chem., 277, 2002
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1INW
 | | A SIALIC ACID DERIVED PHOSPHONATE ANALOG INHIBITS DIFFERENT STRAINS OF INFLUENZA VIRUS NEURAMINIDASE WITH DIFFERENT EFFICIENCIES | | Descriptor: | (1S)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | White, C.L, Janakiraman, M.N, Laver, W.G, Philippon, C, Vasella, A, Air, G.M, Luo, M. | | Deposit date: | 1994-09-26 | | Release date: | 1995-02-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A sialic acid-derived phosphonate analog inhibits different strains of influenza virus neuraminidase with different efficiencies.
J.Mol.Biol., 245, 1995
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4EAA
 | | X-ray crystal structure of the H141N mutant of perosamine N-acetyltransferase from Caulobacter crescentus in complex with CoA and GDP-perosamine | | Descriptor: | CHLORIDE ION, COENZYME A, GDP-perosamine, ... | | Authors: | Thoden, J.B, Reinhardt, L.A, Cook, P.D, Menden, P, Cleland, W.W, Holden, H.M. | | Deposit date: | 2012-03-22 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Catalytic Mechanism of Perosamine N-Acetyltransferase Revealed by High-Resolution X-ray Crystallographic Studies and Kinetic Analyses.
Biochemistry, 51, 2012
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1J4K
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8JPA
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1INX
 | | A SIALIC ACID DERIVED PHOSPHONATE ANALOG INHIBITS DIFFERENT STRAINS OF INFLUENZA VIRUS NEURAMINIDASE WITH DIFFERENT EFFICIENCIES | | Descriptor: | (1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | White, C.L, Janakiraman, M.N, Laver, W.G, Philippon, C, Vasella, A, Air, G.M, Luo, M. | | Deposit date: | 1994-09-26 | | Release date: | 1995-02-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A sialic acid-derived phosphonate analog inhibits different strains of influenza virus neuraminidase with different efficiencies.
J.Mol.Biol., 245, 1995
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8J07
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4EAB
 | | X-ray crystal structure of the H141A mutant of GDP-perosamine N-acetyl transferase from Caulobacter crescentus in complex with CoA and GDP-perosamine | | Descriptor: | CHLORIDE ION, COENZYME A, GDP-perosamine, ... | | Authors: | Thoden, J.B, Reinhardt, L.A, Cook, P.D, Menden, P, Cleland, W.W, Holden, H.M. | | Deposit date: | 2012-03-22 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Catalytic Mechanism of Perosamine N-Acetyltransferase Revealed by High-Resolution X-ray Crystallographic Studies and Kinetic Analyses.
Biochemistry, 51, 2012
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1IL9
 | | STRUCTURE OF RICIN A CHAIN BOUND WITH INHIBITOR 8-METHYL-9-OXOGUANINE | | Descriptor: | 5-AMINO-2-METHYL-6H-OXAZOLO[5,4-D]PYRIMIDIN-7-ONE, RICIN A CHAIN | | Authors: | Miller, D.J, Ravikumar, K, Shen, H, Suh, J.-K, Kerwin, S.M, Robertus, J.D. | | Deposit date: | 2001-05-07 | | Release date: | 2002-01-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure-based design and characterization of novel platforms for ricin and shiga toxin inhibition.
J.Med.Chem., 45, 2002
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1IL3
 | | STRUCTURE OF RICIN A CHAIN BOUND WITH INHIBITOR 7-DEAZAGUANINE | | Descriptor: | 7-DEAZAGUANINE, RICIN A CHAIN | | Authors: | Miller, D.J, Ravikumar, K, Shen, H, Suh, J.-K, Kerwin, S.M, Robertus, J.D. | | Deposit date: | 2001-05-07 | | Release date: | 2002-01-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-based design and characterization of novel platforms for ricin and shiga toxin inhibition.
J.Med.Chem., 45, 2002
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1IL4
 | | STRUCTURE OF RICIN A CHAIN BOUND WITH INHIBITOR 9-DEAZAGUANINE | | Descriptor: | 9-DEAZAGUANINE, RICIN A CHAIN | | Authors: | Miller, D.J, Ravikumar, K, Shen, H, Suh, J.-K, Kerwin, S.M, Robertus, J.D. | | Deposit date: | 2001-05-07 | | Release date: | 2002-01-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-based design and characterization of novel platforms for ricin and shiga toxin inhibition.
J.Med.Chem., 45, 2002
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8JBO
 | | Crystal structure of TxGH116 from Thermoanaerobacterium xylanolyticum with isofagomine | | Descriptor: | 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, CALCIUM ION, ... | | Authors: | Pengthaisong, S, Ketudat Cairns, J.R. | | Deposit date: | 2023-05-09 | | Release date: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for inhibition of a GH116 beta-glucosidase and its missense mutants by GBA2 inhibitors: Crystallographic and quantum chemical study.
Chem.Biol.Interact., 384, 2023
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4CAG
 | | Bacillus licheniformis Rhamnogalacturonan Lyase PL11 | | Descriptor: | CALCIUM ION, GLYCEROL, POLYSACCHARIDE LYASE FAMILY 11 PROTEIN | | Authors: | Otten, H, Rodrigues da Silva, I.I.C, Jers, C, Nyffenegger, C, Larsen, D.M, Mikkelsen, J.D, Larsen, S. | | Deposit date: | 2013-10-08 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.498 Å) | | Cite: | Design of Thermostable Rhamnogalacturonan Lyase Mutants from Bacillus Licheniformis by Combination of Targeted Single Point Mutations.
Appl.Microbiol.Biotechnol., 98, 2014
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