3W9Z
 
 | | Crystal structure of DusC | | Descriptor: | FLAVIN MONONUCLEOTIDE, tRNA-dihydrouridine synthase C | | Authors: | Chen, M, Yu, J, Tanaka, Y, Tanaka, I, Yao, M. | | Deposit date: | 2013-04-19 | | Release date: | 2013-07-31 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of dihydrouridine synthase C (DusC) from Escherichia coli
Acta Crystallogr.,Sect.F, 69, 2013
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3W95
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3WC6
 | | Carboxypeptidase B in complex with 2nd zinc | | Descriptor: | ACETATE ION, Carboxypeptidase B, ZINC ION | | Authors: | Yoshimoto, N, Itoh, T, Inaba, Y, Yamamoto, K. | | Deposit date: | 2013-05-24 | | Release date: | 2013-10-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural basis for inhibition of carboxypeptidase B by selenium-containing inhibitor: selenium coordinates to zinc in enzyme.
J.Med.Chem., 56, 2013
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3WZ8
 | | Endothiapepsin in complex with Gewald reaction-derived inhibitor (8) | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Kuhnert, M, Steuber, H, Diederich, W.E. | | Deposit date: | 2014-09-19 | | Release date: | 2015-08-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors
Angew.Chem.Int.Ed.Engl., 54, 2015
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3WYD
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3WZ6
 | | Endothiapepsin in complex with Gewald reaction-derived inhibitor (5) | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kuhnert, M, Steuber, H, Diederich, W.E. | | Deposit date: | 2014-09-19 | | Release date: | 2015-08-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.404 Å) | | Cite: | Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors
Angew.Chem.Int.Ed.Engl., 54, 2015
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3ZQS
 | | Human FANCL central domain | | Descriptor: | E3 UBIQUITIN-PROTEIN LIGASE FANCL, HEXAETHYLENE GLYCOL, PROLINE, ... | | Authors: | Hodson, C, Cole, A.R, Purkiss-Trew, A, Walden, H. | | Deposit date: | 2011-06-10 | | Release date: | 2011-07-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Analysis of Human Fancl, the E3 Ligase in the Fanconi Anemia Pathway.
J.Biol.Chem., 286, 2011
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3WZ7
 | | Endothiapepsin in complex with Gewald reaction-derived inhibitor (6) | | Descriptor: | DIMETHYL SULFOXIDE, Endothiapepsin, N-benzyl-2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | | Authors: | Kuhnert, M, Steuber, H, Diederich, W.E. | | Deposit date: | 2014-09-19 | | Release date: | 2015-08-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors
Angew.Chem.Int.Ed.Engl., 54, 2015
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4AGP
 | | Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5176 | | Descriptor: | 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-(3-phenoxyprop-1-yn-1-yl)phenol, CELLULAR TUMOR ANTIGEN P53, ZINC ION | | Authors: | Joerger, A.C, Wilcken, R, Fersht, A.R, Boeckler, F.M. | | Deposit date: | 2012-01-30 | | Release date: | 2012-03-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53.
J.Am.Chem.Soc., 134, 2012
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4AJ8
 | | Crystallographic structure of thioredoxin from Litopenaeus vannamei (partially reduced). | | Descriptor: | ACETATE ION, GLYCEROL, SULFATE ION, ... | | Authors: | Campos-Acevedo, A.A, Sotelo-Mundo, R.R, Rudino-Pinera, E. | | Deposit date: | 2012-02-16 | | Release date: | 2013-03-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Expression, Purification, Crystallization and X-Ray Crystallographic Studies of Different Redox States of the Active Site of Thioredoxin 1 from the Whiteleg Shrimp Litopenaeus Vannamei
Acta Crystallogr.,Sect.F, 69, 2013
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4AGL
 | | Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan784 | | Descriptor: | 2,4-BIS(IODANYL)-6-[[METHYL-(1-METHYLPIPERIDIN-4-YL)AMINO]METHYL]PHENOL, CELLULAR TUMOR ANTIGEN P53, ZINC ION | | Authors: | Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R. | | Deposit date: | 2012-01-30 | | Release date: | 2012-03-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53.
J.Am.Chem.Soc., 134, 2012
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4A3Y
 | | Crystal structure of Raucaffricine glucosidase from ajmaline biosynthesis pathway | | Descriptor: | GLYCEROL, RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, SULFATE ION | | Authors: | Xia, L, Ruppert, M, Wang, M, Panjikar, S, Barleben, L, Rajendran, C, Lin, H, Stoeckigt, J. | | Deposit date: | 2011-10-06 | | Release date: | 2012-08-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity.
Acs Chem.Biol., 7, 2012
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4ADQ
 | | CRYSTAL STRUCTURE OF THE MOUSE COLONY-STIMULATING FACTOR 1 (MCSF-1) CYTOKINE IN COMPLEX WITH THE VIRAL RECEPTOR BARF1 | | Descriptor: | MACROPHAGE COLONY-STIMULATING FACTOR 1, SECRETED PROTEIN BARF1, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Elegheert, J, Bracke, N, Savvides, S.N. | | Deposit date: | 2012-01-02 | | Release date: | 2012-08-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (4.5 Å) | | Cite: | Allosteric Competitive Inactivation of Hematopoietic Csf-1 Signaling by the Viral Decoy Receptor Barf1.
Nat.Struct.Mol.Biol., 19, 2012
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4AJ6
 | | Crystallographic structure of thioredoxin from Litopenaeus vannamei (reduced form). | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, GLYCEROL, ... | | Authors: | Campos-Acevedo, A.A, Sotelo-Mundo, R.R, Rudino-Pinera, E. | | Deposit date: | 2012-02-15 | | Release date: | 2013-03-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Expression, Purification, Crystallization and X-Ray Crystallographic Studies of Different Redox States of the Active Site of Thioredoxin 1 from the Whiteleg Shrimp Litopenaeus Vannamei
Acta Crystallogr.,Sect.F, 69, 2013
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4AGQ
 | | Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5196 | | Descriptor: | 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-[3-(phenylamino)prop-1-yn-1-yl]phenol, CELLULAR TUMOR ANTIGEN P53, ZINC ION | | Authors: | Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R. | | Deposit date: | 2012-01-30 | | Release date: | 2012-03-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53.
J.Am.Chem.Soc., 134, 2012
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4AJ7
 | | Crystallographic structure of thioredoxin from Litopenaeus vannamei (oxidized form). | | Descriptor: | ACETATE ION, GLYCEROL, SULFATE ION, ... | | Authors: | Campos-Acevedo, A.A, Sotelo-Mundo, R.R, Rudino-Pinera, E. | | Deposit date: | 2012-02-15 | | Release date: | 2013-03-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.035 Å) | | Cite: | Expression, Purification, Crystallization and X-Ray Crystallographic Studies of Different Redox States of the Active Site of Thioredoxin 1 from the Whiteleg Shrimp Litopenaeus Vannamei
Acta Crystallogr.,Sect.F, 69, 2013
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4AGF
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4A14
 | | HUMAN KIF7, A KINESIN INVOLVED IN HEDGEHOG SIGNALLING | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF7, MAGNESIUM ION | | Authors: | Klejnot, M, Kozielski, F. | | Deposit date: | 2011-09-14 | | Release date: | 2012-01-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Insights Into Human Kif7, a Kinesin Involved in Hedgehog Signalling.
Acta Crystallogr.,Sect.D, 68, 2012
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4ADF
 | | CRYSTAL STRUCTURE OF THE HUMAN COLONY-STIMULATING FACTOR 1 (hCSF-1) CYTOKINE IN COMPLEX WITH THE VIRAL RECEPTOR BARF1 | | Descriptor: | MACROPHAGE COLONY-STIMULATING FACTOR 1, SECRETED PROTEIN BARF1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Elegheert, J, Bracke, N, Savvides, S.N. | | Deposit date: | 2011-12-23 | | Release date: | 2012-08-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (4.4 Å) | | Cite: | Allosteric Competitive Inactivation of Hematopoietic Csf-1 Signaling by the Viral Decoy Receptor Barf1.
Nat.Struct.Mol.Biol., 19, 2012
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4AGN
 | | Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5116 | | Descriptor: | 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-(3-HYDROXYPROP-1-YN-1-YL)-6-IODOPHENOL, CELLULAR TUMOR ANTIGEN P53, ZINC ION | | Authors: | Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R. | | Deposit date: | 2012-01-30 | | Release date: | 2012-03-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53.
J.Am.Chem.Soc., 134, 2012
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4AGM
 | | Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5086 | | Descriptor: | 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4,6-DIIODOPHENOL, CELLULAR TUMOR ANTIGEN P53, ZINC ION | | Authors: | Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R. | | Deposit date: | 2012-01-30 | | Release date: | 2012-03-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53.
J.Am.Chem.Soc., 134, 2012
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3ZX6
 | | Structure of Hamp(AF1503)-Tsr fusion - Hamp (A291V) mutant | | Descriptor: | CHLORIDE ION, HAMP, METHYL-ACCEPTING CHEMOTAXIS PROTEIN I | | Authors: | Zeth, K, Ferris, H.U, Lupas, A.L. | | Deposit date: | 2011-08-08 | | Release date: | 2012-02-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Axial Helix Rotation as a Mechanism for Signal Regulation Inferred from the Crystallographic Analysis of the E. Coli Serine Chemoreceptor.
J.Struct.Biol., 186, 2014
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4B6D
 | | Structure of the atypical C1 domain of MgcRacGAP | | Descriptor: | GLYCEROL, RAC GTPASE-ACTIVATING PROTEIN 1, ZINC ION | | Authors: | Pye, V.E, Lekomtsev, S, Petronczki, M, Cherepanov, P. | | Deposit date: | 2012-08-09 | | Release date: | 2012-12-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Centralspindlin Links the Mitotic Spindle to the Plasma Membrane During Cytokinesis.
Nature, 492, 2012
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4AY6
 | | Human O-GlcNAc transferase (OGT) in complex with UDP-5SGlcNAc and substrate peptide | | Descriptor: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, SULFATE ION, TGF-BETA-ACTIVATED KINASE 1 AND MAP3K7-BINDING PROTEIN 1, ... | | Authors: | Schimpl, M, Zheng, X, Blair, D.E, Schuettelkopf, A.W, Navratilova, I, Aristotelous, T, Ferenbach, A.T, Macnaughtan, M.A, Borodkin, V.S, van Aalten, D.M.F. | | Deposit date: | 2012-06-18 | | Release date: | 2012-10-24 | | Last modified: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis
Nat.Chem.Biol., 8, 2012
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3ZM5
 | | CRYSTAL STRUCTURE OF MURF LIGASE IN COMPLEX WITH CYANOTHIOPHENE INHIBITOR | | Descriptor: | 2,4-bis(chloranyl)-N-[3-cyano-6-[(4-hydroxyphenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-5-morpholin-4-ylsulfonyl-benzamide, UDP-N-ACETYLMURAMOYL-TRIPEPTIDE--D-ALANYL-D-ALANINE LIGASE | | Authors: | Hrast, M, Turk, S, Sosic, I, Knez, D, Randall, C.P, Barreteau, H, Contreras-Martel, C, Dessen, A, ONeill, A.J, Mengin-Lecreulx, D, Blanot, D, Gobec, S. | | Deposit date: | 2013-02-05 | | Release date: | 2013-07-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Structure-Activity Relationships of New Cyanothiophene Inhibitors of the Essential Peptidoglycan Biosynthesis Enzyme Murf.
Eur.J.Med.Chem., 66C, 2013
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