3L0J
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![BU of 3l0j by Molmil](/molmil-images/mine/3l0j) | Crystal structure of orphan nuclear receptor RORgamma in complex with natural ligand | Descriptor: | (3alpha,8alpha,22R)-cholest-5-ene-3,22-diol, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 2 | Authors: | Martynowski, D, Li, Y. | Deposit date: | 2009-12-10 | Release date: | 2010-03-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for hydroxycholesterols as natural ligands of orphan nuclear receptor RORgamma. Mol.Endocrinol., 24, 2010
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3KBZ
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![BU of 3kbz by Molmil](/molmil-images/mine/3kbz) | Crystal structure of human liver FBPase in complex with tricyclic inhibitor 6 | Descriptor: | Fructose-1,6-bisphosphatase 1, {[(2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid | Authors: | Takahashi, M, Sone, J, Hanzawa, H. | Deposit date: | 2009-10-20 | Release date: | 2010-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-based drug design of tricyclic 8H-indeno[1,2-d][1,3]thiazoles as potent FBPase inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3FM4
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![BU of 3fm4 by Molmil](/molmil-images/mine/3fm4) | Crystal Structure Analysis of Fungal Versatile Peroxidase from Pleurotus eryngii | Descriptor: | CACODYLATE ION, CALCIUM ION, FE (III) ION, ... | Authors: | Piontek, K, Martinez, A.T, Choinowski, T, Plattner, D.A. | Deposit date: | 2008-12-19 | Release date: | 2009-12-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural and Site-directed Mutagenesis Study of Versatile Peroxidase Oxidizing both Mn(II) and Aromatic Substrates To be Published
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2VL3
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![BU of 2vl3 by Molmil](/molmil-images/mine/2vl3) | Oxidized and reduced forms of human peroxiredoxin 5 | Descriptor: | PEROXIREDOXIN-5 | Authors: | Smeets, A, Declercq, J.P. | Deposit date: | 2008-01-08 | Release date: | 2008-08-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | The Crystal Structures of Oxidized Forms of Human Peroxiredoxin 5 with an Intramolecular Disulfide Bond Confirm the Proposed Enzymatic Mechanism for Atypical 2-Cys Peroxiredoxins. Arch.Biochem.Biophys., 477, 2008
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3F6B
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![BU of 3f6b by Molmil](/molmil-images/mine/3f6b) | Crystal structure of benzoylformate decarboxylase in complex with the pyridyl inhibitor PAA | Descriptor: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1S,2E)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium, Benzoylformate decarboxylase, MAGNESIUM ION | Authors: | Brandt, G.S, McLeish, M.J, Kenyon, G.L, Petsko, G.A, Ringe, D, Jordan, F. | Deposit date: | 2008-11-05 | Release date: | 2008-12-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Detection and time course of formation of major thiamin diphosphate-bound covalent intermediates derived from a chromophoric substrate analogue on benzoylformate decarboxylase. Biochemistry, 48, 2009
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2V7A
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![BU of 2v7a by Molmil](/molmil-images/mine/2v7a) | Crystal structure of the T315I Abl mutant in complex with the inhibitor PHA-739358 | Descriptor: | MAGNESIUM ION, N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1 | Authors: | Modugno, M, Casale, E, Soncini, C, Rosettani, P, Colombo, R, Lupi, R, Rusconi, L, Fancelli, D, Carpinelli, P, Cameron, A.D, Isacchi, A, Moll, J. | Deposit date: | 2007-07-27 | Release date: | 2007-09-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of the T315I Abl Mutant in Complex with the Aurora Kinases Inhibitor Pha-739358. Cancer Res., 67, 2007
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3KC1
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![BU of 3kc1 by Molmil](/molmil-images/mine/3kc1) | Crystal structure of human liver FBPase in complex with tricyclic inhibitor 19a | Descriptor: | Fructose-1,6-bisphosphatase 1, {[(7-carbamoyl-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid | Authors: | Takahashi, M, Sone, J, Hanzawa, H. | Deposit date: | 2009-10-20 | Release date: | 2010-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-based drug design of tricyclic 8H-indeno[1,2-d][1,3]thiazoles as potent FBPase inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3KGU
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3KHF
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![BU of 3khf by Molmil](/molmil-images/mine/3khf) | The crystal structure of the PDZ domain of human Microtubule Associated Serine/Threonine Kinase 3 (MAST3) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Microtubule-associated serine/threonine-protein kinase 3 | Authors: | Roos, A, Elkins, J, Savitsky, P, Wang, J, Ugochukwu, E, Murray, J, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-10-30 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The crystal structure of the PDZ domain of human Microtubule Associated Serine/Threonine Kinase 3 (MAST3) To be Published
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3KJ2
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![BU of 3kj2 by Molmil](/molmil-images/mine/3kj2) | Mcl-1 in complex with Bim BH3 mutant F4aE | Descriptor: | ACETATE ION, Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ... | Authors: | Fire, E, Grant, R.A, Keating, A.E. | Deposit date: | 2009-11-02 | Release date: | 2010-02-16 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2.351 Å) | Cite: | Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes. Protein Sci., 19, 2010
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3KJO
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![BU of 3kjo by Molmil](/molmil-images/mine/3kjo) | Crystal Structure of hPOT1V2-dTrUd(AGGGTTAG) | Descriptor: | DNA/RNA (5'-D(*T)-R(P*U)-D(P*AP*GP*GP*GP*TP*TP*AP*G)-3'), Protection of telomeres protein 1 | Authors: | Nandakumar, J, Cech, T.R, Podell, E.R. | Deposit date: | 2009-11-03 | Release date: | 2010-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | How telomeric protein POT1 avoids RNA to achieve specificity for single-stranded DNA. Proc.Natl.Acad.Sci.USA, 107, 2010
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2V3E
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![BU of 2v3e by Molmil](/molmil-images/mine/2v3e) | acid-beta-glucosidase with N-nonyl-deoxynojirimycin | Descriptor: | (2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUCOSYLCERAMIDASE, ... | Authors: | Brumshtein, B, Greenblatt, H.M, Butters, T.D, Shaaltiel, Y, Aviezer, D, Silman, I, Futerman, A.H, Sussman, J.L. | Deposit date: | 2007-06-17 | Release date: | 2007-08-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Complexes of N-Butyl- and N-Nonyl-Deoxynojirimycin Bound to Acid Beta-Glucosidase: Insights Into the Mechanism of Chemical Chaperone Action in Gaucher Disease. J.Biol.Chem., 282, 2007
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3JPV
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![BU of 3jpv by Molmil](/molmil-images/mine/3jpv) | Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a pyrrolo[2,3-a]carbazole ligand | Descriptor: | 1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde, Peptide (PIMTIDE) ARKRRRHPSGPPTA, Proto-oncogene serine/threonine-protein kinase Pim-1 | Authors: | Filippakopoulos, P, Bullock, A.N, Fedorov, O, Akue-Gedu, R, Rossignol, E, Azzaro, S, Bain, J, Cohen, P, Prudhomme, M, Moreau, P, Amizon, F, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-04 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Synthesis, kinase inhibitory potencies, and in vitro antiproliferative evaluation of new pim kinase inhibitors. J.Med.Chem., 52, 2009
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2W8P
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![BU of 2w8p by Molmil](/molmil-images/mine/2w8p) | The crystal structure of human C340A SSADH | Descriptor: | GLYCEROL, SUCCINIC SEMIALDEHYDE DEHYDROGENASE MITOCHONDRIAL, SULFATE ION | Authors: | Kim, Y.-G, Kim, K.-J. | Deposit date: | 2009-01-19 | Release date: | 2009-06-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Redox-Switch Modulation of Human Ssadh by Dynamic Catalytic Loop. Embo J., 28, 2009
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3D4U
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![BU of 3d4u by Molmil](/molmil-images/mine/3d4u) | Bovine thrombin-activatable fibrinolysis inhibitor (TAFIa) in complex with tick-derived carboxypeptidase inhibitor. | Descriptor: | ACETATE ION, Carboxypeptidase B2, Carboxypeptidase inhibitor, ... | Authors: | Sanglas, L, Valnickova, Z, Arolas, J.L, Pallares, I, Guevara, T, Sola, M, Kristensen, T, Enghild, J.J, Aviles, F.X, Gomis-Ruth, F.X. | Deposit date: | 2008-05-15 | Release date: | 2008-08-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of activated thrombin-activatable fibrinolysis inhibitor, a molecular link between coagulation and fibrinolysis. Mol.Cell, 31, 2008
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2W8Q
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2W5H
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![BU of 2w5h by Molmil](/molmil-images/mine/2w5h) | Human Nek2 kinase Apo | Descriptor: | SERINE/THREONINE-PROTEIN KINASE NEK2 | Authors: | Bayliss, R. | Deposit date: | 2008-12-10 | Release date: | 2008-12-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Insights Into the Conformational Variability and Regulation of Human Nek2 Kinase. J.Mol.Biol., 386, 2009
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3D6F
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3D6M
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2VY5
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![BU of 2vy5 by Molmil](/molmil-images/mine/2vy5) | U11-48K CHHC Zn-finger protein domain | Descriptor: | U11/U12 SMALL NUCLEAR RIBONUCLEOPROTEIN 48 KDA PROTEIN, ZINC ION | Authors: | Tidow, H, Andreeva, A, Rutherford, T.J, Fersht, A.R. | Deposit date: | 2008-07-18 | Release date: | 2009-02-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of the U11-48K CHHC zinc-finger domain that specifically binds the 5' splice site of U12-type introns. Structure, 17, 2009
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3JXU
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![BU of 3jxu by Molmil](/molmil-images/mine/3jxu) | Crystal structure of the human 70kDa heat shock protein 1A (Hsp70-1) ATPase domain in complex with ADP and inorganic phosphate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1, MAGNESIUM ION, ... | Authors: | Wisniewska, M.M, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kraulis, P, Kotenyova, T, Kotzsch, A, Markova, N, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Siponen, M.I, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-21 | Release date: | 2009-10-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystal structures of the ATPase domains of four human Hsp70 isoforms: HSPA1L/Hsp70-hom, HSPA2/Hsp70-2, HSPA6/Hsp70B', and HSPA5/BiP/GRP78 Plos One, 5, 2010
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3K1R
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2WIL
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![BU of 2wil by Molmil](/molmil-images/mine/2wil) | AGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F. | Deposit date: | 2009-05-12 | Release date: | 2009-05-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure-Activity Analysis of Aging and Reactivation of Human Butyrylcholinesterase Inhibited by Analogues of Tabun Biochem.J., 421, 2009
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2WMR
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![BU of 2wmr by Molmil](/molmil-images/mine/2wmr) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | 5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | Deposit date: | 2009-07-03 | Release date: | 2009-07-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening. J.Med.Chem., 52, 2009
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2WJX
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![BU of 2wjx by Molmil](/molmil-images/mine/2wjx) | Crystal structure of the human ionotropic glutamate receptor GluR2 ATD region at 4.1 A resolution | Descriptor: | GLUTAMATE RECEPTOR 2 | Authors: | Clayton, A, Siebold, C, Gilbert, R.J.C, Sutton, G.C, Harlos, K, McIlhinney, R.A.J, Jones, E.Y, Aricescu, A.R. | Deposit date: | 2009-06-01 | Release date: | 2009-08-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (4.1 Å) | Cite: | Crystal Structure of the Glur2 Amino-Terminal Domain Provides Insights Into the Architecture and Assembly of Ionotropic Glutamate Receptors. J.Mol.Biol., 392, 2009
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