4R3V
 
 | | Structure of karilysin propeptide and catalytic MMP domain | | Descriptor: | CALCIUM ION, GLYCEROL, Karilysin, ... | | Authors: | Lopez-Pelegrin, M, Ksiazek, M, Karim, A.Y, Guevara, T, Arolas, J.L, Potempa, J, Gomis-Ruth, F.X. | | Deposit date: | 2014-08-18 | | Release date: | 2015-01-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | A novel mechanism of latency in matrix metalloproteinases.
J.Biol.Chem., 290, 2015
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4W9D
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methyloxazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 3) | | Descriptor: | (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(4-methyl-1,3-oxazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | | Authors: | Gadd, M.S, Hewitt, S, Galdeano, C, van Molle, I, Ciulli, A. | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
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8U32
 | | Crystal structure of PD-1 in complex with a Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ... | | Authors: | Sun, D, Masureel, M. | | Deposit date: | 2023-09-07 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structure- and machine learning-guided engineering demonstrate that a non-canonical disulfide in an anti-PD-1 rabbit antibody does not impede antibody developability.
Mabs, 16, 2024
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8U31
 | | Crystal structure of PD-1 in complex with a Fab | | Descriptor: | Fab heavy chain, Fab light chain, GLYCEROL, ... | | Authors: | Sun, D, Masureel, M. | | Deposit date: | 2023-09-07 | | Release date: | 2024-06-19 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Structure- and machine learning-guided engineering demonstrate that a non-canonical disulfide in an anti-PD-1 rabbit antibody does not impede antibody developability.
Mabs, 16, 2024
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4R7J
 | | Crystal Structure of Inosine 5'-monophosphate Dehydrogenase with the Internal Deletion Containing CBS Domain from Campylobacter jejuni | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Kim, Y, Makowska-Grzyska, M, Gu, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1172 Å) | | Cite: | Crystal Structure of Inosine 5'-monophosphate Dehydrogenase with the Internal Deletion Containing CBS Domain from Campylobacter jejuni
To be Published, 2014
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4R6O
 | | Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity. | | Descriptor: | 1,2-ETHANEDIOL, 4-METHYL-2H-CHROMEN-2-ONE, Agglutinin alpha chain, ... | | Authors: | Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. | | Deposit date: | 2014-08-26 | | Release date: | 2015-02-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Acta Crystallogr.,Sect.D, 71, 2015
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4V18
 | | SeMet structure of a novel carbohydrate binding module from glycoside hydrolase family 5 glucanase from Ruminococcus flavefaciens FD-1 | | Descriptor: | CARBOHYDRATE BINDING MODULE | | Authors: | Venditto, I, Centeno, M.S.J, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S. | | Deposit date: | 2014-09-25 | | Release date: | 2016-01-20 | | Last modified: | 2016-07-13 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
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7OU1
 | | Crystal structure of Rhizobium etli inducible L-asparaginase ReAV (monoclinic form MP2) | | Descriptor: | 1,2-ETHANEDIOL, L-asparaginase, ZINC ION | | Authors: | Imiolczyk, B, Loch, J.I, Gilski, M, Jaskolski, M. | | Deposit date: | 2021-06-10 | | Release date: | 2021-11-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structures of the elusive Rhizobium etli L-asparaginase reveal a peculiar active site.
Nat Commun, 12, 2021
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4QPP
 | | The Crystal Structure of Human HMT1 hnRNP methyltransferase-like protein 6 in complex with compound DS-421 (2-{4-[3-CHLORO-2-(2-METHOXYPHENYL)-1H-INDOL-5-YL]PIPERIDIN-1-YL}-N-METHYLETHANAMINE | | Descriptor: | 2-{4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl}-N-methylethanamine, POLY-UNK, Protein arginine N-methyltransferase 6, ... | | Authors: | Dong, A, Zeng, H, Smil, D, Walker, J.R, He, H, Eram, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-06-24 | | Release date: | 2014-08-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | The Crystal Structure of Human HMT1
hnRNP methyltransferase-like protein 6 in complex with compound DS-421
To be Published
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2Q6C
 | | Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors | | Descriptor: | (3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | | Deposit date: | 2007-06-04 | | Release date: | 2007-07-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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6X2K
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7OS5
 | | Crystal structure of Rhizobium etli inducible L-asparaginase ReAV (orthorhombic form OP) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, L-asparaginase, ... | | Authors: | Loch, J.I, Imiolczyk, B, Gilski, M, Jaskolski, M. | | Deposit date: | 2021-06-07 | | Release date: | 2021-11-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.293 Å) | | Cite: | Crystal structures of the elusive Rhizobium etli L-asparaginase reveal a peculiar active site.
Nat Commun, 12, 2021
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7OZ6
 | | Crystal structure of Rhizobium etli inducible L-asparaginase ReAV (monoclinic form MC) | | Descriptor: | DI(HYDROXYETHYL)ETHER, L-asparaginase, ZINC ION | | Authors: | Gilski, M, Loch, J.I, Imiolczyk, B, Jaskolski, M. | | Deposit date: | 2021-06-25 | | Release date: | 2021-11-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.757 Å) | | Cite: | Crystal structures of the elusive Rhizobium etli L-asparaginase reveal a peculiar active site.
Nat Commun, 12, 2021
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7OS6
 | | Crystal structure of Rhizobium etli inducible L-asparaginase ReAV (monoclinic form MP1) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, ETHANOL, ... | | Authors: | Loch, J.I, Imiolczyk, B, Gilski, M, Jaskolski, M. | | Deposit date: | 2021-06-07 | | Release date: | 2021-11-24 | | Last modified: | 2023-04-26 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Crystal structures of the elusive Rhizobium etli L-asparaginase reveal a peculiar active site.
Nat Commun, 12, 2021
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7OS3
 | | Crystal structure of Rhizobium etli inducible L-asparaginase ReAV solved by S-SAD (orthorhombic form START) | | Descriptor: | CHLORIDE ION, L-asparaginase II protein, ZINC ION | | Authors: | Gilski, M, Loch, J.I, Imiolczyk, B, Jaskolski, M. | | Deposit date: | 2021-06-07 | | Release date: | 2021-11-24 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.177 Å) | | Cite: | Crystal structures of the elusive Rhizobium etli L-asparaginase reveal a peculiar active site.
Nat Commun, 12, 2021
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4UQP
 | | High-resolution structure of the D. fructosovorans NiFe-hydrogenase L122A mutant after exposure to air | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ... | | Authors: | Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C. | | Deposit date: | 2014-06-24 | | Release date: | 2014-10-29 | | Last modified: | 2023-03-15 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Crystallographic Studies of [Nife]-Hydrogenase Mutants: Towards Consensus Structures for the Elusive Unready Oxidized States.
J.Biol.Inorg.Chem., 20, 2015
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4UQL
 | | High-resolution structure of a Ni-A Ni-Sox mixture of the D. fructosovorans NiFe-hydrogenase L122A mutant | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ... | | Authors: | Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C. | | Deposit date: | 2014-06-24 | | Release date: | 2014-10-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Crystallographic Studies of [Nife]-Hydrogenase Mutants: Towards Consensus Structures for the Elusive Unready Oxidized States.
J.Biol.Inorg.Chem., 20, 2015
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4R6P
 | | Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity. | | Descriptor: | 1,2-ETHANEDIOL, 4-METHYL-2H-CHROMEN-2-ONE, Agglutinin alpha chain, ... | | Authors: | Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. | | Deposit date: | 2014-08-26 | | Release date: | 2015-02-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Acta Crystallogr.,Sect.D, 71, 2015
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4UQT
 | | RRM-peptide structure in RES complex | | Descriptor: | PRE-MRNA-SPLICING FACTOR CWC26, U2 SNRNP COMPONENT IST3 | | Authors: | Tripsianes, K, Friberg, A, Barrandon, C, Seraphin, B, Sattler, M. | | Deposit date: | 2014-06-25 | | Release date: | 2014-09-03 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | A Novel Protein-Protein Interaction in the Res (Retention and Splicing) Complex.
J.Biol.Chem., 289, 2014
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3KIA
 | | Crystal structure of mannosyl-3-phosphoglycerate synthase from Rubrobacter xylanophilus | | Descriptor: | CHLORIDE ION, GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Macedo-Ribeiro, S, Pereira, P.J.B, Empadinhas, N, da Costa, M.S. | | Deposit date: | 2009-11-01 | | Release date: | 2010-11-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Functional and structural characterization of a novel mannosyl-3-phosphoglycerate synthase from Rubrobacter xylanophilus reveals its dual substrate specificity
Mol.Microbiol., 79, 2011
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2Q29
 | | Crystal structure of oxalyl-coA decarboxylase from Escherichia coli in complex with acetyl coenzyme A | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETYL COENZYME *A, MAGNESIUM ION, ... | | Authors: | Werther, T, Zimmer, A, Wille, G, Hubner, G, Weiss, M.S, Konig, S. | | Deposit date: | 2007-05-26 | | Release date: | 2008-06-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | New insights into structure-function relationships of oxalyl CoA decarboxylase from Escherichia coli.
Febs J., 277, 2010
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3KJF
 | | Caspase 3 Bound to a covalent inhibitor | | Descriptor: | (3S)-3-({[(5S,10aS)-2-{(2S)-4-carboxy-2-[(phenylacetyl)amino]butyl}-1,3-dioxo-2,3,5,7,8,9,10,10a-octahydro-1H-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]carbonyl}amino)-4-oxopentanoic acid, Caspase-3 | | Authors: | Kamtekar, S, Watt, W, Finzel, B.C, Harris, M.S, Blinn, J, Wang, Z, Tomasselli, A.G. | | Deposit date: | 2009-11-03 | | Release date: | 2010-08-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors.
Biochim.Biophys.Acta, 1804, 2010
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3KJN
 | | Caspase 8 bound to a covalent inhibitor | | Descriptor: | (3S)-3-({[(5S)-2-{2-[(1H-benzimidazol-5-ylcarbonyl)amino]ethyl}-7-(cyclohexylmethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Caspase-8 | | Authors: | Kamtekar, S, Watt, W, Finzel, B.C, Harris, M.S, Blinn, J, Wang, Z, Tomasselli, A.G. | | Deposit date: | 2009-11-03 | | Release date: | 2010-08-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors.
Biochim.Biophys.Acta, 1804, 2010
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4W9H
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-acetamido-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 7) | | Descriptor: | N-acetyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | | Authors: | Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A. | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
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4UW5
 | | Human galectin-7 in complex with a galactose based dendron D2-2. | | Descriptor: | DENDRON D2-1, HUMAN GALECTIN-7 | | Authors: | Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R. | | Deposit date: | 2014-08-08 | | Release date: | 2014-11-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
FEBS J., 282, 2015
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