2Q5G
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![BU of 2q5g by Molmil](/molmil-images/mine/2q5g) | Ligand binding domain of PPAR delta receptor in complex with a partial agonist | Descriptor: | Peroxisome proliferator-activated receptor delta, [(7-{[2-(3-MORPHOLIN-4-YLPROP-1-YN-1-YL)-6-{[4-(TRIFLUOROMETHYL)PHENYL]ETHYNYL}PYRIDIN-4-YL]THIO}-2,3-DIHYDRO-1H-INDEN- 4-YL)OXY]ACETIC ACID | Authors: | Pettersson, I, Sauerberg, P, Johansson, E, Hoffman, I, Tari, L.W, Hunter, M.J, Nix, J. | Deposit date: | 2007-06-01 | Release date: | 2008-06-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design of a partial PPARdelta agonist. Bioorg.Med.Chem.Lett., 17, 2007
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2Q5R
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![BU of 2q5r by Molmil](/molmil-images/mine/2q5r) | Structure of apo Staphylococcus aureus D-tagatose-6-phosphate kinase | Descriptor: | Tagatose-6-phosphate kinase | Authors: | McGrath, T.E, Soloveychik, M, Romanov, V, Thambipillai, D, Dharamsi, A, Virag, C, Domagala, M, Pai, E.F, Edwards, A.M, Battaile, K, Chirgadze, N.Y. | Deposit date: | 2007-06-01 | Release date: | 2007-06-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of apo Staphylococcus aureus D-tagatose-6-phosphate kinase TO BE PUBLISHED
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3Q7I
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![BU of 3q7i by Molmil](/molmil-images/mine/3q7i) | Glucose-6-phosphate isomerase from Francisella tularensis complexed with 6-phosphogluconic acid. | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-PHOSPHOGLUCONIC ACID, CALCIUM ION, ... | Authors: | Osipiuk, J, Maltseva, N, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-01-04 | Release date: | 2011-02-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Glucose-6-phosphate isomerase from Francisella tularensis. To be Published
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2Q6C
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![BU of 2q6c by Molmil](/molmil-images/mine/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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3QQS
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![BU of 3qqs by Molmil](/molmil-images/mine/3qqs) | Anthranilate phosphoribosyltransferase (TRPD) from Mycobacterium tuberculosis (complex with inhibitor ACS172) | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2,2'-iminodibenzoic acid, Anthranilate phosphoribosyltransferase, ... | Authors: | Castell, A, Short, F.L, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2011-02-16 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The Substrate Capture Mechanism of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Provides a Mode for Inhibition. Biochemistry, 52, 2013
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3FDT
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![BU of 3fdt by Molmil](/molmil-images/mine/3fdt) | Crystal structure of the complex of human chromobox homolog 5 (CBX5) with H3K9(me)3 peptide | Descriptor: | Chromobox protein homolog 5, H3K9(me)3 peptide | Authors: | Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-11-26 | Release date: | 2009-01-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Recognition and specificity determinants of the human cbx chromodomains. J.Biol.Chem., 286, 2011
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3V1T
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3V3Q
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![BU of 3v3q by Molmil](/molmil-images/mine/3v3q) | Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1, SODIUM ION, ... | Authors: | Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T. | Deposit date: | 2011-12-14 | Release date: | 2012-09-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK Nat.Chem.Biol., 8, 2012
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3V4S
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![BU of 3v4s by Molmil](/molmil-images/mine/3v4s) | Crystal Structure of ADP-ATP complex of purK: N5-carboxyaminoimidazole ribonucleotide synthetase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, ... | Authors: | Fung, L.W, Tuntland, M.L, Santarsiero, B.D, Johnson, M.E. | Deposit date: | 2011-12-15 | Release date: | 2013-02-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Elucidation of the bicarbonate binding site and insights into the carboxylation mechanism of (N(5))-carboxyaminoimidazole ribonucleotide synthase (PurK) from Bacillus anthracis. Acta Crystallogr.,Sect.D, 70, 2014
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2POG
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![BU of 2pog by Molmil](/molmil-images/mine/2pog) | Benzopyrans as Selective Estrogen Receptor b Agonists (SERBAs). Part 2: Structure Activity Relationship Studies on the Benzopyran Scaffold. | Descriptor: | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL, Estrogen receptor | Authors: | Richardson, T.I, Norman, B.H, Lugar, C.W, Jones, S.A, Wang, Y, Durbin, J.D, Krishnan, V, Dodge, J.A. | Deposit date: | 2007-04-26 | Release date: | 2007-09-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 2: structure-activity relationship studies on the benzopyran scaffold. Bioorg.Med.Chem.Lett., 17, 2007
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3FFY
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![BU of 3ffy by Molmil](/molmil-images/mine/3ffy) | Putative tetrapyrrole (corrin/porphyrin) methyltransferase from Bacteroides fragilis. | Descriptor: | Putative tetrapyrrole (Corrin/porphyrin) methylase, SULFATE ION | Authors: | Osipiuk, J, Volkart, L, Cobb, G, Kim, Y, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2008-12-04 | Release date: | 2008-12-16 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray crystal structure of putative tetrapyrrole (corrin/porphyrin) methyltransferase from Bacteroides fragilis. To be Published
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3FG3
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![BU of 3fg3 by Molmil](/molmil-images/mine/3fg3) | Crystal structure of Delta413-417:GS I805W LOX | Descriptor: | ACETIC ACID, Allene oxide synthase-lipoxygenase protein, CALCIUM ION, ... | Authors: | Neau, D.B, Newcomer, M.E. | Deposit date: | 2008-12-04 | Release date: | 2009-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The 1.85 A structure of an 8R-lipoxygenase suggests a general model for lipoxygenase product specificity. Biochemistry, 48, 2009
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2PG0
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![BU of 2pg0 by Molmil](/molmil-images/mine/2pg0) | Crystal structure of acyl-CoA dehydrogenase from Geobacillus kaustophilus | Descriptor: | Acyl-CoA dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Chen, L, Chen, L.-Q, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, Zhao, M, Li, Y, Fu, Z.-Q, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-06 | Release date: | 2007-05-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of acyl-CoA dehydrogenase from G. kaustophilus To be Published
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3FCL
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![BU of 3fcl by Molmil](/molmil-images/mine/3fcl) | Complex of UNG2 and a fragment-based designed inhibitor | Descriptor: | 3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}butyl)amino]methyl}benzoic acid, THIOCYANATE ION, Uracil-DNA glycosylase | Authors: | Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T. | Deposit date: | 2008-11-21 | Release date: | 2009-04-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Impact of linker strain and flexibility in the design of a fragment-based inhibitor Nat.Chem.Biol., 5, 2009
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3V5X
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![BU of 3v5x by Molmil](/molmil-images/mine/3v5x) | Structure of FBXL5 hemerythrin domain, C2 cell | Descriptor: | F-box/LRR-repeat protein 5, MU-OXO-DIIRON | Authors: | Tomchick, D.R, Bruick, R.K, Thompson, J.W, Brautigam, C.A. | Deposit date: | 2011-12-17 | Release date: | 2012-01-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and Molecular Characterization of Iron-sensing Hemerythrin-like Domain within F-box and Leucine-rich Repeat Protein 5 (FBXL5). J.Biol.Chem., 287, 2012
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3QD0
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![BU of 3qd0 by Molmil](/molmil-images/mine/3qd0) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with (2R,5S)-1-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-N-phenyl-3-piperidinecarboxamide | Descriptor: | (3S,6R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-phenylpiperidine-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ... | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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3V5Y
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![BU of 3v5y by Molmil](/molmil-images/mine/3v5y) | Structure of FBXL5 hemerythrin domain, P2(1) cell | Descriptor: | F-box/LRR-repeat protein 5, MU-OXO-DIIRON | Authors: | Tomchick, D.R, Bruick, R.K, Thompson, J.W, Brautigam, C.A. | Deposit date: | 2011-12-17 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Molecular Characterization of Iron-sensing Hemerythrin-like Domain within F-box and Leucine-rich Repeat Protein 5 (FBXL5). J.Biol.Chem., 287, 2012
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3FDX
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![BU of 3fdx by Molmil](/molmil-images/mine/3fdx) | Putative filament protein / universal stress protein F from Klebsiella pneumoniae. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FORMIC ACID, MAGNESIUM ION, ... | Authors: | Osipiuk, J, Volkart, L, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2008-11-26 | Release date: | 2008-12-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | X-ray crystal structure of putative filament protein / universal stress protein F from Klebsiella pneumoniae. To be Published
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3QGP
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![BU of 3qgp by Molmil](/molmil-images/mine/3qgp) | |
2PR5
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![BU of 2pr5 by Molmil](/molmil-images/mine/2pr5) | |
3V7I
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![BU of 3v7i by Molmil](/molmil-images/mine/3v7i) | |
2PRL
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![BU of 2prl by Molmil](/molmil-images/mine/2prl) | The structures of apo- and inhibitor bound human dihydroorotate dehydrogenase reveal conformational flexibility within the inhibitor binding site | Descriptor: | 5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID, ACETATE ION, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, ... | Authors: | Walse, B, Dufe, V.T, Al-Karadaghi, S. | Deposit date: | 2007-05-04 | Release date: | 2008-05-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structures of human dihydroorotate dehydrogenase with and without inhibitor reveal conformational flexibility in the inhibitor and substrate binding sites Biochemistry, 47, 2008
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2PS0
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![BU of 2ps0 by Molmil](/molmil-images/mine/2ps0) | Structure and metal binding properties of ZnuA, a periplasmic zinc transporter from Escherichia coli | Descriptor: | High-affinity zinc uptake system protein znuA, ZINC ION | Authors: | Yatsunyk, L.A, Kim, L.R, Vorontsov, I.I, Rosenzweig, A.C. | Deposit date: | 2007-05-04 | Release date: | 2007-06-05 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and metal binding properties of ZnuA, a periplasmic zinc transporter from Escherichia coli. J.Biol.Inorg.Chem., 13, 2008
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3V9O
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![BU of 3v9o by Molmil](/molmil-images/mine/3v9o) | |
2PK5
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![BU of 2pk5 by Molmil](/molmil-images/mine/2pk5) | Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I ) in Complex with KNI-10075 | Descriptor: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-3-(methyl sulfonyl)-L-alanyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, Protease | Authors: | Armstrong, A.A, Lafont, V, Kiso, Y, Freire, E, Amzel, L.M. | Deposit date: | 2007-04-17 | Release date: | 2007-05-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Compensating enthalpic and entropic changes hinder binding affinity optimization. Chem.Biol.Drug Des., 69, 2007
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