2A0W
 
 | | Structure of human purine nucleoside phosphorylase H257G mutant | | Descriptor: | 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, Purine nucleoside phosphorylase, SULFATE ION | | Authors: | Murkin, A.S, Shi, W, Schramm, V.L. | | Deposit date: | 2005-06-17 | | Release date: | 2006-06-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Neighboring group participation in the transition state of human purine nucleoside phosphorylase.
Biochemistry, 46, 2007
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1N69
 | | Crystal structure of human saposin B | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, SAPOSIN B | | Authors: | Ahn, V.E, Faull, K.F, Whitelegge, J.P, Fluharty, A.L, Prive, G.G. | | Deposit date: | 2002-11-08 | | Release date: | 2003-01-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of saposin B reveals a dimeric shell for lipid binding
Proc.Natl.Acad.Sci.USA, 100, 2003
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4OP4
 | | Crystal structure of the catalytic domain of DapE protein from V.cholerea in the Zn bound form | | Descriptor: | 1,2-ETHANEDIOL, 1,4-BUTANEDIOL, GLYCEROL, ... | | Authors: | Nocek, B, Makowska-Grzyska, M, Jedrzejczak, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-02-04 | | Release date: | 2014-04-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.651 Å) | | Cite: | The Dimerization Domain in DapE Enzymes Is required for Catalysis.
Plos One, 9, 2014
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4JZD
 | | Structure of factor VIIA in complex with the inhibitor 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid | | Descriptor: | 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ... | | Authors: | Jacobson, B.L, Anumula, R. | | Deposit date: | 2013-04-02 | | Release date: | 2013-08-21 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold.
Bioorg.Med.Chem.Lett., 23, 2013
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5A6L
 | | High resolution structure of the thermostable glucuronoxylan endo-Beta-1, 4-xylanase, CtXyn30A, from Clostridium thermocellum with two xylobiose units bound | | Descriptor: | CARBOHYDRATE BINDING FAMILY 6, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | | Authors: | Freire, F, Verma, A.K, Bule, P, Goyal, A, Fontes, C.M.G.A, Najmudin, S. | | Deposit date: | 2015-06-30 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Conservation in the Mechanism of Glucuronoxylan Hydrolysis Revealed by the Structure of Glucuronoxylan Xylano-Hydrolase (Ctxyn30A) from Clostridium Thermocellum
Acta Crystallogr.,Sect.D, 72, 2016
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3A1B
 | | Crystal structure of the DNMT3A ADD domain in complex with histone H3 | | Descriptor: | 1,2-ETHANEDIOL, DNA (cytosine-5)-methyltransferase 3A, Histone H3.1, ... | | Authors: | Otani, J, Arita, K, Ariyoshi, M, Shirakawa, M. | | Deposit date: | 2009-03-28 | | Release date: | 2009-11-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.292 Å) | | Cite: | Structural basis for recognition of H3K4 methylation status by the DNA methyltransferase 3A ATRX-DNMT3-DNMT3L domain
Embo Rep., 10, 2009
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2A1H
 | | X-ray crystal structure of human mitochondrial branched chain aminotransferase (BCATm) complexed with gabapentin | | Descriptor: | ACETIC ACID, PYRIDOXAL-5'-PHOSPHATE, [1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID, ... | | Authors: | Goto, M, Miyahara, I, Hirotsu, K, Conway, M, Yennawar, N, Islam, M.M, Hutson, S.M. | | Deposit date: | 2005-06-20 | | Release date: | 2005-09-06 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural determinants for branched-chain aminotransferase isozyme-specific inhibition by the anticonvulsant drug gabapentin.
J.Biol.Chem., 280, 2005
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4B0A
 | | The high-resolution structure of yTBP-yTAF1 identifies conserved and competing interaction surfaces in transcriptional activation | | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Anandapadamanaban, M, Andresen, C, Siponen, M, Kokubo, T, Ikura, M, Moche, M, Sunnerhagen, M. | | Deposit date: | 2012-06-29 | | Release date: | 2013-07-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | High-Resolution Structure of TBP with Taf1 Reveals Anchoring Patterns in Transcriptional Regulation
Nat.Struct.Mol.Biol., 20, 2013
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2WFJ
 | | Atomic resolution crystal structure of the PPIase domain of human cyclophilin G in complex with cyclosporin A. | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CYCLOSPORIN A, ... | | Authors: | Stegmann, C.M, Sheldrick, G.M, Wahl, M.C. | | Deposit date: | 2009-04-06 | | Release date: | 2009-06-16 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (0.75 Å) | | Cite: | The Thermodynamic Influence of Trapped Water Molecules on a Protein-Ligand Interaction.
Angew.Chem.Int.Ed.Engl., 48, 2009
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3RL8
 | | Crystal structure of hDLG1-PDZ2 complexed with APC | | Descriptor: | 11-mer peptide from Adenomatous polyposis coli protein, Disks large homolog 1 | | Authors: | Zhang, Z, Li, H, Wu, G. | | Deposit date: | 2011-04-19 | | Release date: | 2011-12-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Molecular basis for the recognition of adenomatous polyposis coli by the Discs Large 1 protein.
Plos One, 6, 2011
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2DK7
 | | Solution structure of WW domain in transcription elongation regulator 1 | | Descriptor: | Transcription elongation regulator 1 | | Authors: | He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-04-06 | | Release date: | 2007-04-24 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of WW domain in transcription elongation regulator 1
To be Published
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4KCT
 | | Pyruvate kinase (PYK) from Trypanosoma brucei soaked with Oxaloacetate | | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | Deposit date: | 2013-04-24 | | Release date: | 2014-01-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Pyruvate kinases have an intrinsic and conserved decarboxylase activity.
Biochem.J., 458, 2014
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3M11
 | | Crystal Structure of Aurora A Kinase complexed with inhibitor | | Descriptor: | 1-(4-{2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea, Serine/threonine-protein kinase 6 | | Authors: | Wu, J.S, Leou, J.S, Coumar, M.S, Hsieh, H.P, Wu, S.Y. | | Deposit date: | 2010-03-03 | | Release date: | 2011-03-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Fast-forwarding hit to lead: aurora and epidermal growth factor receptor kinase inhibitor lead identification
J.Med.Chem., 53, 2010
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3VS1
 | | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea | | Descriptor: | 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kuratani, M, Tomabechi, Y, Toyama, M, Handa, N, Yokoyama, S. | | Deposit date: | 2012-04-21 | | Release date: | 2013-05-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.464 Å) | | Cite: | A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
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4KCV
 | | Pyruvate kinase (PYK) from Trypanosoma brucei soaked with 2-oxoglutaric acid | | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, 2-OXOGLUTARIC ACID, GLYCEROL, ... | | Authors: | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | Deposit date: | 2013-04-24 | | Release date: | 2014-01-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Pyruvate kinases have an intrinsic and conserved decarboxylase activity.
Biochem.J., 458, 2014
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2DGK
 | | Crystal structure of an N-terminal deletion mutant of Escherichia coli GadB in an autoinhibited state (aldamine) | | Descriptor: | 1,2-ETHANEDIOL, Glutamate decarboxylase beta, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Gruetter, M.G, Capitani, G, Gut, H. | | Deposit date: | 2006-03-14 | | Release date: | 2006-06-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Escherichia coli acid resistance: pH-sensing, activation by chloride and autoinhibition in GadB
Embo J., 25, 2006
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4FRU
 | | Crystal structure of horse wild-type cyclophilin B | | Descriptor: | 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, Peptidyl-prolyl cis-trans isomerase, ... | | Authors: | Boudko, S.P, Ishikawa, Y, Bachinger, H.P. | | Deposit date: | 2012-06-26 | | Release date: | 2012-11-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal structures of wild-type and mutated cyclophilin B that causes hyperelastosis cutis in the American quarter horse.
BMC Res Notes, 5, 2012
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2A0X
 | | Structure of human purine nucleoside phosphorylase H257F mutant | | Descriptor: | 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, Purine nucleoside phosphorylase, SULFATE ION | | Authors: | Murkin, A.S, Shi, W, Schramm, V.L. | | Deposit date: | 2005-06-17 | | Release date: | 2006-06-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Neighboring group participation in the transition state of human purine nucleoside phosphorylase.
Biochemistry, 46, 2007
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4KES
 | | Crystal structure of SsoPox W263T | | Descriptor: | 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ... | | Authors: | Gotthard, G, Hiblot, J, Chabriere, E, Elias, M. | | Deposit date: | 2013-04-26 | | Release date: | 2013-10-02 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Differential Active Site Loop Conformations Mediate Promiscuous Activities in the Lactonase SsoPox.
Plos One, 8, 2013
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3RCI
 | | Human cyclophilin D complexed with 5-methyl-1,2-oxazol-3-amine | | Descriptor: | 5-methyl-1,2-oxazol-3-amine, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | | Authors: | Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F. | | Deposit date: | 2011-03-31 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
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4BFR
 | | Discovery and Optimization of Pyrimidone Indoline Amide PI3Kbeta Inhibitors for the Treatment of Phosphatase and TENsin homologue (PTEN)-Deficient Cancers | | Descriptor: | 2-[2-(2-METHYL-2,3-DIHYDRO-INDOL-1-YL)-2-OXO-ETHYL]-6-MORPHOLIN-4-YL-3H-PYRIMIDIN-4-ONE, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC S SUBUNIT BETA ISOFORM | | Authors: | Certal, V, Carry, J.C, Halley, F, Virone-Oddos, A, Thompson, F, Filoche-Romme, B, El-Ahmad, Y, Karlsson, A, Charrier, V, Delorme, C, Rak, A, Abecassis, P.Y, Amara, C, Vincent, L, Bonnevaux, H, Nicolas, J.P, Mathieu, M, Bertrand, T, Marquette, J.P, Michot, N, Benard, T, Perrin, M.A, Perron, S, Monget, S, Gruss-Leleu, F, Doerflinger, G, Guizani, H, Brollo, M, Delbarre, L, Bertin, L, Richepin, P, Loyau, V, Garcia-Echeverria, C, Lengauer, C, Schio, L. | | Deposit date: | 2013-03-22 | | Release date: | 2014-01-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery and Optimization of Pyrimidone Indoline Amide Pi3Kbeta Inhibitors for the Treatment of Phosphatase and Tensin Homologue (Pten)-Deficient Cancers.
J.Med.Chem., 57, 2014
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4FGF
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4B6Z
 | | Crystal structure of metallo-carboxypeptidase from Burkholderia cenocepacia | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Rimsa, V, Eadsforth, T.C, Joosten, R.P, Hunter, W.N. | | Deposit date: | 2012-08-16 | | Release date: | 2013-03-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-Resolution Structure of the M14-Type Cytosolic Carboxypeptidase from Burkholderia Cenocepacia Refined Exploiting Pdb_Redo Strategies.
Acta Crystallogr.,Sect.D, 70, 2014
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2ABQ
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4KEU
 | | Crystal structure of SsoPox W263M | | Descriptor: | 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ... | | Authors: | Gotthard, G, Hiblot, J, Chabriere, E, Elias, M. | | Deposit date: | 2013-04-26 | | Release date: | 2013-10-02 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Differential Active Site Loop Conformations Mediate Promiscuous Activities in the Lactonase SsoPox.
Plos One, 8, 2013
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