3DR1
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![BU of 3dr1 by Molmil](/molmil-images/mine/3dr1) | Side-chain fluorine atoms of non-steroidal vitamin D3 analogs stabilize helix 12 of vitamin D receptor | Descriptor: | (1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol, MAGNESIUM ION, SRC-1 (LXXLL motif) from Nuclear receptor coactivator 1, ... | Authors: | Sato, Y, Rochel, N, Moras, D. | Deposit date: | 2008-07-10 | Release date: | 2009-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Superagonistic fluorinated vitamin D3 analogs stabilize helix 12 of the vitamin D receptor. Chem.Biol., 15, 2008
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3RWP
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![BU of 3rwp by Molmil](/molmil-images/mine/3rwp) | Discovery of a Novel, Potent and Selective Inhibitor of 3-Phosphoinositide Dependent Kinase (PDK1) | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ... | Authors: | Greasley, S.E, Hickey, M, Ferre, R.-A, Krauss, M, Cronin, C. | Deposit date: | 2011-05-09 | Release date: | 2011-11-16 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Discovery of Novel, Potent, and Selective Inhibitors of 3-Phosphoinositide-Dependent Kinase (PDK1). J.Med.Chem., 54, 2011
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3RWQ
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![BU of 3rwq by Molmil](/molmil-images/mine/3rwq) | Discovery of a Novel, Potent and Selective Inhibitor of 3-Phosphoinositide Dependent Kinase (PDK1) | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ... | Authors: | Kazmirski, S, Kohls, D. | Deposit date: | 2011-05-09 | Release date: | 2011-11-16 | Last modified: | 2011-12-28 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery of Novel, Potent, and Selective Inhibitors of 3-Phosphoinositide-Dependent Kinase (PDK1). J.Med.Chem., 54, 2011
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3SC1
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![BU of 3sc1 by Molmil](/molmil-images/mine/3sc1) | Novel Isoquinolone PDK1 Inhibitors Discovered through Fragment-Based Lead Discovery | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2H)-one, GLYCEROL, ... | Authors: | Greasley, S.E, Ferre, R.-A, Krauss, M, Cronin, C. | Deposit date: | 2011-06-06 | Release date: | 2011-10-26 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Novel isoquinolone PDK1 inhibitors discovered through fragment-based lead discovery. J Comput Aided Mol Des, 25, 2011
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2DWS
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![BU of 2dws by Molmil](/molmil-images/mine/2dws) | Cu-containing nitrite reductase at pH 8.4 with bound nitrite | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION | Authors: | Jacobson, F. | Deposit date: | 2006-08-16 | Release date: | 2006-12-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | pH Dependence of Copper Geometry, Reduction Potential, and Nitrite Affinity in Nitrite Reductase J.Biol.Chem., 282, 2007
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2DWT
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![BU of 2dwt by Molmil](/molmil-images/mine/2dwt) | Cu-containing nitrite reductase at pH 6.0 with bound nitrite | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION | Authors: | Jacobson, F. | Deposit date: | 2006-08-17 | Release date: | 2006-12-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | pH Dependence of Copper Geometry, Reduction Potential, and Nitrite Affinity in Nitrite Reductase J.Biol.Chem., 282, 2007
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4I75
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![BU of 4i75 by Molmil](/molmil-images/mine/4i75) | Crystal structure of the Trypanosoma brucei Inosine-Adenosine-Guanosine nucleoside hydrolase in complex with the NiTris metalorganic complex | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Inosine-adenosine-guanosine-nucleoside hydrolase, ... | Authors: | Giannese, F, Degano, M. | Deposit date: | 2012-11-30 | Release date: | 2013-08-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of purine nucleosidase from Trypanosoma brucei bound to isozyme-specific trypanocidals and a novel metalorganic inhibitor Acta Crystallogr.,Sect.D, 69, 2013
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4I70
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4I74
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![BU of 4i74 by Molmil](/molmil-images/mine/4i74) | Crystal structure of the Trypanosoma brucei Inosine-Adenosine-Guanosine nucleoside hydrolase in complex with compound UAMC-00312 and allosterically inhibited by a Ni2+ ion | Descriptor: | (2R,3R,4S)-2-(hydroxymethyl)-1-[(4-hydroxythieno[3,2-d]pyrimidin-7-yl)methyl]pyrrolidine-3,4-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Giannese, F, Degano, M. | Deposit date: | 2012-11-30 | Release date: | 2013-08-07 | Last modified: | 2013-12-18 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structures of purine nucleosidase from Trypanosoma brucei bound to isozyme-specific trypanocidals and a novel metalorganic inhibitor Acta Crystallogr.,Sect.D, 69, 2013
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2WWY
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![BU of 2wwy by Molmil](/molmil-images/mine/2wwy) | Structure of human RECQ-like helicase in complex with a DNA substrate | Descriptor: | 1,2-ETHANEDIOL, 5'-D(*DA DG DC DG DT DC DG DA DG DA DT DC DCP)-3', ATP-DEPENDENT DNA HELICASE Q1, ... | Authors: | Pike, A.C.W, Zhang, Y, Schnecke, C, Chaikuad, A, Krojer, T, Cooper, C.D.O, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2009-10-30 | Release date: | 2009-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Recq1 Helicase-Driven DNA Unwinding, Annealing, and Branch Migration: Insights from DNA Complex Structures Proc.Natl.Acad.Sci.USA, 112, 2015
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1G6X
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![BU of 1g6x by Molmil](/molmil-images/mine/1g6x) | ULTRA HIGH RESOLUTION STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) MUTANT WITH ALTERED BINDING LOOP SEQUENCE | Descriptor: | 1,2-ETHANEDIOL, PANCREATIC TRYPSIN INHIBITOR, SULFATE ION | Authors: | Addlagatta, A, Czapinska, H, Krzywda, S, Otlewski, J, Jaskolski, M. | Deposit date: | 2000-11-08 | Release date: | 2001-05-09 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (0.86 Å) | Cite: | Ultrahigh-resolution structure of a BPTI mutant. Acta Crystallogr.,Sect.D, 57, 2001
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2H1M
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1FAN
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![BU of 1fan by Molmil](/molmil-images/mine/1fan) | CREVICE-FORMING MUTANTS IN THE RIGID CORE OF BOVINE PANCREATIC TRYPSIN INHIBITOR: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A | Descriptor: | BOVINE PANCREATIC TRYPSIN INHIBITOR | Authors: | Danishefsky, A.T, Wlodawer, A, Kim, K.-S, Tao, F, Woodward, C. | Deposit date: | 1992-08-21 | Release date: | 1993-10-31 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crevice-forming mutants in the rigid core of bovine pancreatic trypsin inhibitor: crystal structures of F22A, Y23A, N43G, and F45A. Protein Sci., 2, 1993
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3ECA
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![BU of 3eca by Molmil](/molmil-images/mine/3eca) | CRYSTAL STRUCTURE OF ESCHERICHIA COLI L-ASPARAGINASE, AN ENZYME USED IN CANCER THERAPY (ELSPAR) | Descriptor: | ASPARTIC ACID, L-asparaginase 2 | Authors: | Swain, A.L, Jaskolski, M, Housset, D, Rao, J.K.M, Wlodawer, A. | Deposit date: | 1993-07-02 | Release date: | 1993-10-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of Escherichia coli L-asparaginase, an enzyme used in cancer therapy. Proc.Natl.Acad.Sci.USA, 90, 1993
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2V1X
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![BU of 2v1x by Molmil](/molmil-images/mine/2v1x) | Crystal structure of human RECQ-like DNA helicase | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ATP-DEPENDENT DNA HELICASE Q1, ... | Authors: | Pike, A.C.W, Shrestha, B, Burgess-Brown, N, King, O, Ugochukwu, E, Watt, S, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Gileadi, O. | Deposit date: | 2007-05-30 | Release date: | 2007-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the Human Recq1 Helicase Reveals a Putative Strand-Separation Pin. Proc.Natl.Acad.Sci.USA, 106, 2009
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1QLQ
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![BU of 1qlq by Molmil](/molmil-images/mine/1qlq) | Bovine Pancreatic Trypsin Inhibitor (BPTI) Mutant with Altered Binding Loop Sequence | Descriptor: | PANCREATIC TRYPSIN INHIBITOR, SULFATE ION | Authors: | Czapinska, H, Krzywda, S, Sheldrick, G.M, Otlewski, J, Jaskolski, M. | Deposit date: | 1999-09-10 | Release date: | 1999-10-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | High Resolution Structure of Bovine Pancreatic Trypsin Inhibitor with Altered Binding Loop Sequence J.Mol.Biol., 295, 1999
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2QMI
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![BU of 2qmi by Molmil](/molmil-images/mine/2qmi) | Structure of the octameric penicillin-binding protein homologue from Pyrococcus abyssi | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, LUTETIUM (III) ION, Pbp related beta-lactamase | Authors: | Delfosse, V, Girard, E, Moulinier, L, Schultz, P, Mayer, C. | Deposit date: | 2007-07-16 | Release date: | 2008-07-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the archaeal pab87 peptidase reveals a novel self-compartmentalizing protease family Plos One, 4, 2009
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2K7G
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![BU of 2k7g by Molmil](/molmil-images/mine/2k7g) | Solution Structure of varv F | Descriptor: | Varv peptide F | Authors: | Wang, C.K. | Deposit date: | 2008-08-10 | Release date: | 2009-02-10 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | Combined X-ray and NMR analysis of the stability of the cyclotide cystine knot fold that underpins its insecticidal activity and potential use as a drug scaffold J.Biol.Chem., 284, 2009
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4I73
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![BU of 4i73 by Molmil](/molmil-images/mine/4i73) | Crystal structure of the Trypanosoma brucei Inosine-Adenosine-Guanosine nucleoside hydrolase in complex with compound UAMC-00312 | Descriptor: | (2R,3R,4S)-2-(hydroxymethyl)-1-[(4-hydroxythieno[3,2-d]pyrimidin-7-yl)methyl]pyrrolidine-3,4-diol, CALCIUM ION, Inosine-adenosine-guanosine-nucleoside hydrolase, ... | Authors: | Giannese, F, Degano, M. | Deposit date: | 2012-11-30 | Release date: | 2013-08-07 | Last modified: | 2013-12-18 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structures of purine nucleosidase from Trypanosoma brucei bound to isozyme-specific trypanocidals and a novel metalorganic inhibitor Acta Crystallogr.,Sect.D, 69, 2013
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4I71
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![BU of 4i71 by Molmil](/molmil-images/mine/4i71) | Crystal structure of the Trypanosoma brucei Inosine-Adenosine-Guanosine nucleoside hydrolase in complex with a trypanocidal compound | Descriptor: | (2R,3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Giannese, F, Degano, M. | Deposit date: | 2012-11-30 | Release date: | 2013-08-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Structures of purine nucleosidase from Trypanosoma brucei bound to isozyme-specific trypanocidals and a novel metalorganic inhibitor Acta Crystallogr.,Sect.D, 69, 2013
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4I72
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![BU of 4i72 by Molmil](/molmil-images/mine/4i72) | Crystal structure of the Trypanosoma brucei Inosine-Adenosine-Guanosine nucleoside hydrolase in complex with Immucillin A | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,4-PYRROLIDINEDIOL,2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)-2S,3S,4R,5R, CALCIUM ION, ... | Authors: | Giannese, F, Degano, M. | Deposit date: | 2012-11-30 | Release date: | 2013-08-07 | Last modified: | 2013-12-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structures of purine nucleosidase from Trypanosoma brucei bound to isozyme-specific trypanocidals and a novel metalorganic inhibitor Acta Crystallogr.,Sect.D, 69, 2013
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