1XBY
 
 | | Structure of 3-keto-L-gulonate 6-phosphate decarboxylase E112D/T169A mutant with bound D-ribulose 5-phosphate | | Descriptor: | 3-keto-L-gulonate 6-phosphate decarboxylase, MAGNESIUM ION, RIBULOSE-5-PHOSPHATE | | Authors: | Wise, E.L, Yew, W.S, Akana, J, Gerlt, J.A, Rayment, I. | | Deposit date: | 2004-08-31 | | Release date: | 2005-04-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Evolution of enzymatic activities in the orotidine 5'-monophosphate decarboxylase suprafamily: structural basis for catalytic promiscuity in wild-type and designed mutants of 3-keto-L-gulonate 6-phosphate decarboxylase
Biochemistry, 44, 2005
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1OI9
 | | Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | | Descriptor: | 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | | Authors: | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | | Deposit date: | 2003-06-10 | | Release date: | 2004-07-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2
J.Med.Chem., 47, 2004
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1XBZ
 | | Crystal structure of 3-keto-L-gulonate 6-phosphate decarboxylase E112D/R139V/T169A mutant with bound L-xylulose 5-phosphate | | Descriptor: | 3-Keto-L-Gulonate 6-Phosphate Decarboxylase, L-XYLULOSE 5-PHOSPHATE, MAGNESIUM ION | | Authors: | Wise, E.L, Yew, W.S, Akana, J, Gerlt, J.A, Rayment, I. | | Deposit date: | 2004-08-31 | | Release date: | 2005-04-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evolution of enzymatic activities in the orotidine 5'-monophosphate decarboxylase suprafamily: structural basis for catalytic promiscuity in wild-type and designed mutants of 3-keto-L-gulonate 6-phosphate decarboxylase
Biochemistry, 44, 2005
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1XCU
 | | oligonucleotid/drug complex | | Descriptor: | 1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-9,10-DIONE, 5'-D(*CP*GP*TP*AP*CP*G)-3', BARIUM ION, ... | | Authors: | Valls, N, Steiner, R.A, Wright, G, Murshudov, G.N, Subirana, J.A. | | Deposit date: | 2004-09-03 | | Release date: | 2005-07-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Variable role of ions in two drug intercalation complexes of DNA
J.Biol.Inorg.Chem., 10, 2005
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1XDC
 | | Hydrogen Bonding in Human Manganese Superoxide Dismutase containing 3-Fluorotyrosine | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | | Authors: | Ayala, I, Perry, J.J, Szczepanski, J, Cabelli, D.E, Tainer, J.A, Vala, M.T, Nick, H.S, Silverman, D.N. | | Deposit date: | 2004-09-05 | | Release date: | 2005-03-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Hydrogen bonding in human manganese superoxide dismutase containing 3-fluorotyrosine
Biophys.J., 89, 2005
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1BN7
 | | HALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES | | Descriptor: | ACETATE ION, HALOALKANE DEHALOGENASE | | Authors: | Newman, J, Peat, T.S, Richard, R, Kan, L, Swanson, P.E, Affholter, J.A, Holmes, I.H, Schindler, J.F, Unkefer, C.J, Terwilliger, T.C. | | Deposit date: | 1998-07-31 | | Release date: | 2000-02-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Haloalkane dehalogenases: structure of a Rhodococcus enzyme.
Biochemistry, 38, 1999
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1OIU
 | | Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | | Descriptor: | 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | | Authors: | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | | Deposit date: | 2003-06-26 | | Release date: | 2004-07-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2
J.Med.Chem., 47, 2004
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4CVO
 | | Crystal structure of the N-terminal colied-coil domain of human DNA excision repair protein ERCC-6 | | Descriptor: | DNA EXCISION REPAIR PROTEIN ERCC-6, MAGNESIUM ION | | Authors: | Newman, J.A, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2014-03-28 | | Release date: | 2014-04-09 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of the N-Terminal Colied-Coil Domain of Human DNA Excision Repair Protein Ercc-6
To be Published
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4D2C
 | | Structure of a di peptide bound POT family peptide transporter | | Descriptor: | (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, ALANINE, ... | | Authors: | Lyons, J.A, Parker, J.L, Solcan, N, Brinth, A, Li, D, Shah, S.T.A, Caffrey, M, Newstead, S. | | Deposit date: | 2014-05-09 | | Release date: | 2014-06-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Structural Basis for Polyspecificity in the Pot Family of Proton-Coupled Oligopeptide Transporters.
Embo Rep., 15, 2014
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1BN6
 | | HALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES | | Descriptor: | HALOALKANE DEHALOGENASE | | Authors: | Newman, J, Peat, T.S, Richard, R, Kan, L, Swanson, P.E, Affholter, J.A, Holmes, I.H, Schindler, J.F, Unkefer, C.J, Terwilliger, T.C. | | Deposit date: | 1998-07-31 | | Release date: | 2000-02-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Haloalkane dehalogenases: structure of a Rhodococcus enzyme.
Biochemistry, 38, 1999
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4DEY
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2VAR
 | | Crystal structure of Sulfolobus solfataricus 2-keto-3-deoxygluconate kinase complexed with 2-keto-3-deoxygluconate | | Descriptor: | 2-KETO-3-DEOXYGLUCONATE, 3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acid, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Potter, J.A, Theodossis, A, Kerou, M, Lamble, H.J, Bull, S.D, Hough, D.W, Danson, M.J, Taylor, G.L. | | Deposit date: | 2007-09-04 | | Release date: | 2007-10-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Structure of Sulfolobus Solfataricus 2-Keto-3-Deoxygluconate Kinase.
Acta Crystallogr.,Sect.D, 64, 2008
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1P6K
 | | Rat neuronal NOS D597N mutant heme domain with L-N(omega)-nitroarginine-2,4-L-diaminobutyric amide bound | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, D-MANNITOL, ... | | Authors: | Flinspach, M.L, Li, H, Jamal, J, Yang, W, Huang, H, Hah, J.-M, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | | Deposit date: | 2003-04-29 | | Release date: | 2004-01-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase.
Nat.Struct.Mol.Biol., 11, 2004
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1P92
 | | Crystal Structure of (H79A)DtxR | | Descriptor: | BETA-MERCAPTOETHANOL, Diphtheria toxin repressor | | Authors: | D'Aquino, J.A, Ringe, D. | | Deposit date: | 2003-05-08 | | Release date: | 2004-05-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Determinants of the SRC homology domain 3-like fold.
J.Bacteriol., 185, 2003
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1W3G
 | | Hemolytic lectin from the mushroom Laetiporus sulphureus complexed with two N-acetyllactosamine molecules. | | Descriptor: | GLYCEROL, HEMOLYTIC LECTIN FROM LAETIPORUS SULPHUREUS, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose | | Authors: | Mancheno, J.M, Tateno, H, Goldstein, I.J, Martinez-Ripoll, M, Hermoso, J.A. | | Deposit date: | 2004-07-15 | | Release date: | 2005-02-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Structural Analysis of the Laetiporus Sulphureus Hemolytic Pore-Forming Lectin in Complex with Sugars
J.Biol.Chem., 280, 2005
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2VTA
 | | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | | Descriptor: | 1H-indazole, CELL DIVISION PROTEIN KINASE 2, GLYCEROL | | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | | Deposit date: | 2008-05-13 | | Release date: | 2008-08-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
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4DGQ
 | | Crystal structure of Non-heme chloroperoxidase from Burkholderia cenocepacia | | Descriptor: | 1,2-ETHANEDIOL, Non-heme chloroperoxidase | | Authors: | Gardberg, A.S, Edwards, T.E, Abendroth, J.A, Staker, B, Stewart, L, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2012-01-26 | | Release date: | 2012-03-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of Non-heme chloroperoxidase from Burkholderia cenocepacia
To be Published
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1P6N
 | | Bovine endothelial NOS heme domain with L-N(omega)-nitroarginine-(4R)-amino-L-proline amide bound | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ... | | Authors: | Flinspach, M.L, Li, H, Jamal, J, Yang, W, Huang, H, Hah, J.-M, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | | Deposit date: | 2003-04-29 | | Release date: | 2004-01-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase.
Nat.Struct.Mol.Biol., 11, 2004
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1OY7
 | | Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of Apoptosis (ML-IAP) | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, AEVVAVKSE peptide, Baculoviral IAP repeat-containing protein 7, ... | | Authors: | Franklin, M.C, Kadkhodayan, S, Ackerly, H, Alexandru, D, Distefano, M.D, Elliott, L.O, Flygare, J.A, Vucic, D, Deshayes, K, Fairbrother, W.J. | | Deposit date: | 2003-04-03 | | Release date: | 2003-08-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of Apoptosis (ML-IAP)
Biochemistry, 42, 2003
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1P1L
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2WWD
 | | 3D-structure of the modular autolysin LytC from Streptococcus pneumoniae in complex with pneummococcal peptidoglycan fragment | | Descriptor: | 1,4-BETA-N-ACETYLMURAMIDASE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, ALANINE, ... | | Authors: | Perez-Dorado, I, Sanles, R, Hermoso, J.A, Gonzalez, A, Garcia, A, Garcia, P, Garcia, J.L. | | Deposit date: | 2009-10-22 | | Release date: | 2010-04-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Insights Into Pneumococcal Fratricide from the Crystal Structures of the Modular Killing Factor Lytc.
Nat.Struct.Mol.Biol., 17, 2010
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1W3F
 | | Crystal structure of the hemolytic lectin from the mushroom Laetiporus sulphureus complexed with N-acetyllactosamine in the gamma motif | | Descriptor: | GLYCEROL, HEMOLYTIC LECTIN FROM LAETIPORUS SULPHUREUS, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose | | Authors: | Mancheno, J.M, Tateno, H, Goldstein, I.J, Martinez-Ripoll, M, Hermoso, J.A. | | Deposit date: | 2004-07-15 | | Release date: | 2005-02-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Structural Analysis of the Laetiporus Sulphureus Hemolytic Pore-Forming Lectin in Complex with Sugars
J.Biol.Chem., 280, 2005
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4EXJ
 | | Crystal structure of glutathione s-transferase like protein lelg_03239 (target efi-501752) from lodderomyces elongisporus | | Descriptor: | CHLORIDE ION, SULFATE ION, uncharacterized protein | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Zencheck, W.D, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-04-30 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of glutathione s-transferase like protein lelg_03239 (target efi-501752) from lodderomyces elongisporus
To be Published
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1OXN
 | | Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of Apoptosis (ML-IAP) | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, AEAVPWKSE peptide, Baculoviral IAP repeat-containing protein 7, ... | | Authors: | Franklin, M.C, Kadkhodayan, S, Ackerly, H, Alexandru, D, Distefano, M.D, Elliott, L.O, Flygare, J.A, Vucic, D, Deshayes, K, Fairbrother, W.J. | | Deposit date: | 2003-04-03 | | Release date: | 2003-08-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of Apoptosis (ML-IAP)
Biochemistry, 42, 2003
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2WKF
 | | Crystal Structure of Macrophage Migration Inhibitory Factor from Plasmodium falciparum | | Descriptor: | GLYCEROL, MACROPHAGE MIGRATION INHIBITORY FACTOR | | Authors: | Dobson, S.E, Augustijn, K.D, Brannigan, J.A, Dodson, E.J, Waters, A.P, Wilkinson, A.J. | | Deposit date: | 2009-06-11 | | Release date: | 2009-10-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The crystal structures of macrophage migration inhibitory factor from Plasmodium falciparum and Plasmodium berghei.
Protein Sci., 18, 2009
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