1IH3
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1IE9
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![BU of 1ie9 by Molmil](/molmil-images/mine/1ie9) | Crystal Structure Of The Nuclear Receptor For Vitamin D Ligand Binding Domain Bound to MC1288 | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, VITAMIN D3 RECEPTOR | Authors: | Tocchini-Valentini, G, Rochel, N, Wurtz, J.M, Mitschler, A, Moras, D. | Deposit date: | 2001-04-09 | Release date: | 2001-05-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structures of the vitamin D receptor complexed to superagonist 20-epi ligands. Proc.Natl.Acad.Sci.USA, 98, 2001
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6B8B
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![BU of 6b8b by Molmil](/molmil-images/mine/6b8b) | E. coli LptB in complex with ADP and a novobiocin derivative | Descriptor: | (3s,5s,7s)-N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-ben zopyran-3-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Lipopolysaccharide export system ATP-binding protein LptB, ... | Authors: | Mandler, M.D, Owens, T.W, Lazarus, M.B, May, J.M, Kahne, D.K. | Deposit date: | 2017-10-06 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Antibiotic Novobiocin Binds and Activates the ATPase That Powers Lipopolysaccharide Transport. J. Am. Chem. Soc., 139, 2017
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1IQD
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![BU of 1iqd by Molmil](/molmil-images/mine/1iqd) | Human Factor VIII C2 Domain complexed to human monoclonal BO2C11 Fab. | Descriptor: | HUMAN FACTOR VIII, HUMAN MONOCLONAL BO2C11 FAB HEAVY CHAIN, HUMAN MONOCLONAL BO2C11 FAB LIGHT CHAIN | Authors: | Spiegel Jr, P.C, Jacquemin, M, Saint-Remy, J.M, Stoddard, B.L, Pratt, K.P. | Deposit date: | 2001-07-21 | Release date: | 2001-08-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of a factor VIII C2 domain-immunoglobulin G4kappa Fab complex: identification of an inhibitory antibody epitope on the surface of factor VIII. Blood, 98, 2001
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1IDE
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![BU of 1ide by Molmil](/molmil-images/mine/1ide) | ISOCITRATE DEHYDROGENASE Y160F MUTANT STEADY-STATE INTERMEDIATE COMPLEX (LAUE DETERMINATION) | Descriptor: | ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION, ... | Authors: | Bolduc, J.M, Dyer, D.H, Scott, W.G, Singer, P, Sweet, R.M, Koshland Junior, D.E, Stoddard, B.L. | Deposit date: | 1995-01-18 | Release date: | 1996-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase. Science, 268, 1995
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6AUD
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![BU of 6aud by Molmil](/molmil-images/mine/6aud) | PI3K-gamma K802T in complex with Cpd 8 10-((1-(tert-butyl)piperidin-4-yl)sulfinyl)-2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine | Descriptor: | 10-[(S)-(1-tert-butylpiperidin-4-yl)sulfinyl]-2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Murray, J.M, Ultsch, M. | Deposit date: | 2017-08-31 | Release date: | 2017-11-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.015 Å) | Cite: | Design of Selective Benzoxazepin PI3K delta Inhibitors Through Control of Dihedral Angles. ACS Med Chem Lett, 8, 2017
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1IDD
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![BU of 1idd by Molmil](/molmil-images/mine/1idd) | ISOCITRATE DEHYDROGENASE Y160F MUTANT APO ENZYME | Descriptor: | ISOCITRATE DEHYDROGENASE | Authors: | Lee, M.E, Dyer, D.H, Klein, O.D, Bolduc, J.M, Stoddard, B.L, Koshland Junior, D.E. | Deposit date: | 1995-01-18 | Release date: | 1996-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase. Science, 268, 1995
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6BE0
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![BU of 6be0 by Molmil](/molmil-images/mine/6be0) | AvrA delL154 with IP6, CoA | Descriptor: | AvrA, COENZYME A, INOSITOL HEXAKISPHOSPHATE | Authors: | Labriola, J.M, Nagar, B. | Deposit date: | 2017-10-24 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.438 Å) | Cite: | Structural Analysis of the Bacterial Effector AvrA Identifies a Critical Helix Involved in Substrate Recognition. Biochemistry, 57, 2018
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6AVH
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![BU of 6avh by Molmil](/molmil-images/mine/6avh) | GH3.15 acyl acid amido synthetase | Descriptor: | ADENOSINE MONOPHOSPHATE, GH3.15 acyl acid amido synthetase | Authors: | Sherp, A.M, Jez, J.M. | Deposit date: | 2017-09-02 | Release date: | 2018-02-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.011 Å) | Cite: | Arabidopsis thalianaGH3.15 acyl acid amido synthetase has a highly specific substrate preference for the auxin precursor indole-3-butyric acid. J. Biol. Chem., 293, 2018
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1IGA
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1JDG
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![BU of 1jdg by Molmil](/molmil-images/mine/1jdg) | Solution Structure of a Trans-Opened (10S)-dA Adduct of (+)-(7S,8R,9S,10R)-7,8-Dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene in a fully Complementary DNA Duplex | Descriptor: | 5'-D(*CP*CP*TP*CP*GP*TP*GP*AP*CP*CP*G)-3', 5'-D(*CP*GP*GP*TP*CP*(BPA)AP*CP*GP*AP*GP*G)-3', 7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE | Authors: | Pradhan, P, Tirumala, S, Liu, X, Sayer, J.M, Jerina, D.M, Yeh, H.J.C. | Deposit date: | 2001-06-13 | Release date: | 2001-07-04 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of a trans-opened (10S)-dA adduct of (+)-(7S,8R,9S,10R)-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene in a fully complementary DNA duplex: evidence for a major syn conformation. Biochemistry, 40, 2001
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1JU3
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![BU of 1ju3 by Molmil](/molmil-images/mine/1ju3) | BACTERIAL COCAINE ESTERASE COMPLEX WITH TRANSITION STATE ANALOG | Descriptor: | PHENYL BORONIC ACID, cocaine esterase | Authors: | Larsen, N.A, Turner, J.M, Stevens, J, Rosser, S.J, Basran, A, Lerner, R.A, Bruce, N.C, Wilson, I.A. | Deposit date: | 2001-08-23 | Release date: | 2001-12-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal structure of a bacterial cocaine esterase. Nat.Struct.Biol., 9, 2002
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1JNP
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![BU of 1jnp by Molmil](/molmil-images/mine/1jnp) | Crystal Structure of Murine Tcl1 at 2.5 Resolution | Descriptor: | T-CELL LEUKEMIA/LYMPHOMA PROTEIN 1A | Authors: | Petock, J.M, Torshin, I.Y, Wang, Y.F, DuBois, G.C, Croce, C.M, Harrison, R.W, Weber, I.T. | Deposit date: | 2001-07-24 | Release date: | 2001-11-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of murine Tcl1 at 2.5 A resolution and implications for the TCL oncogene family. Acta Crystallogr.,Sect.D, 57, 2001
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6B3U
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![BU of 6b3u by Molmil](/molmil-images/mine/6b3u) | Solution Structure of HIV-1 GP41 Transmembrane Domain in Bicelles | Descriptor: | HIV-1 GP41 Transmembrane Domain | Authors: | Chiliveri, S.C, Louis, J.M, Ghirlando, R, Baber, J.L, Bax, A. | Deposit date: | 2017-09-24 | Release date: | 2018-01-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Tilted, Uninterrupted, Monomeric HIV-1 gp41 Transmembrane Helix from Residual Dipolar Couplings. J. Am. Chem. Soc., 140, 2018
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2LXD
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![BU of 2lxd by Molmil](/molmil-images/mine/2lxd) | Backbone 1H, 13C, and 15N Chemical Shift Assignments for LMO2(LIM2)-Ldb1(LID) | Descriptor: | Rhombotin-2,LIM domain-binding protein 1, ZINC ION | Authors: | Dastmalchi, S, Wilkinson-White, L, Kwan, A.H, Gamsjaeger, R, Mackay, J.P, Matthews, J.M. | Deposit date: | 2012-08-20 | Release date: | 2012-09-12 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of a tethered Lmo2(LIM2) /Ldb1(LID) complex. Protein Sci., 21, 2012
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6BHR
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![BU of 6bhr by Molmil](/molmil-images/mine/6bhr) | HIV-1 immature CTD-SP1 hexamer in complex with IP6 | Descriptor: | Capsid protein p24,Spacer peptide 1, INOSITOL HEXAKISPHOSPHATE | Authors: | Zadrozny, K, Wagner, J.M, Ganser-Pornillos, B.K, Pornillos, O. | Deposit date: | 2017-10-31 | Release date: | 2018-08-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.908 Å) | Cite: | Inositol phosphates are assembly co-factors for HIV-1. Nature, 560, 2018
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1K6S
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![BU of 1k6s by Molmil](/molmil-images/mine/1k6s) | STRUCTURE OF THE CLASS D BETA-LACTAMASE OXA-10 IN COMPLEX WITH A PHENYLBORONIC ACID | Descriptor: | 4-IODO-ACETAMIDO PHENYLBORONIC ACID, Beta-lactamase PSE-2, CALCIUM ION, ... | Authors: | Kerff, F, Fonze, E, Sauvage, E, Frere, J.M, Charlier, P. | Deposit date: | 2001-10-17 | Release date: | 2003-06-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | CRYSTAL STRUCTURE OF CLASS D BETA-LACTAMASE OXA-10 IN COMPLEX WITH DIFFERENT SUBSTRATES AND ONE INHIBITOR. To be Published
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1K6R
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![BU of 1k6r by Molmil](/molmil-images/mine/1k6r) | STRUCTURE OF THE CLASS D BETA-LACTAMASE OXA-10 IN COMPLEX WITH MOXALACTAM | Descriptor: | (2R)-2-((R)-CARBOXY{[CARBOXY(4-HYDROXYPHENYL)ACETYL]AMINO}METHOXYMETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-1,3-OXAZINE-4-CARBO XYLIC ACID, Beta-lactamase PSE-2 | Authors: | Kerff, F, Fonze, E, Sauvage, E, Frere, J.M, Charlier, P. | Deposit date: | 2001-10-17 | Release date: | 2003-06-24 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | CRYSTAL STRUCTURE OF CLASS D BETA-LACTAMASE OXA-10 IN COMPLEX WITH DIFFERENT SUBSTRATES AND ONE INHIBITOR. To be Published
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1K4E
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![BU of 1k4e by Molmil](/molmil-images/mine/1k4e) | CRYSTAL STRUCTURE OF THE CLASS D BETA-LACTAMASES OXA-10 DETERMINED BY MAD PHASING WITH SELENOMETHIONINE | Descriptor: | Beta-lactamase PSE-2, SULFATE ION | Authors: | Kerff, F, Fonze, E, Bouillene, F, Frere, J.M, Charlier, P. | Deposit date: | 2001-10-08 | Release date: | 2001-10-31 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | STRUCTURE OF CLASS D BETA-LACTAMASE OXA-2 To be Published
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1K4W
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![BU of 1k4w by Molmil](/molmil-images/mine/1k4w) | X-ray structure of the orphan nuclear receptor ROR beta ligand-binding domain in the active conformation | Descriptor: | Nuclear receptor ROR-beta, STEARIC ACID, steroid receptor coactivator-1 | Authors: | Stehlin, C, Wurtz, J.M, Steinmetz, A, Greiner, E, Schuele, R, Moras, D, Renaud, J.P. | Deposit date: | 2001-10-09 | Release date: | 2002-04-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray structure of the orphan nuclear receptor RORbeta ligand-binding domain in the active conformation. EMBO J., 20, 2001
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6BHV
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![BU of 6bhv by Molmil](/molmil-images/mine/6bhv) | Human PARP-1 bound to NAD+ analog benzamide adenine dinucleotide (BAD) | Descriptor: | Poly [ADP-ribose] polymerase 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-5-(3-carbamoylphenyl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) | Authors: | Pascal, J.M, Langelier, M.F. | Deposit date: | 2017-10-31 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | NAD+analog reveals PARP-1 substrate-blocking mechanism and allosteric communication from catalytic center to DNA-binding domains. Nat Commun, 9, 2018
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1KHV
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![BU of 1khv by Molmil](/molmil-images/mine/1khv) | Crystal Structure of Rabbit Hemorrhagic Disease Virus RNA-dependent RNA polymerase complexed with Lu3+ | Descriptor: | LUTETIUM (III) ION, RNA-DIRECTED RNA POLYMERASE | Authors: | Ng, K.K, Cherney, M.M, Vazquez, A.L, Machin, A, Alonso, J.M, Parra, F, James, M.N. | Deposit date: | 2001-12-01 | Release date: | 2002-01-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of active and inactive conformations of a caliciviral RNA-dependent RNA polymerase. J.Biol.Chem., 277, 2002
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1I88
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![BU of 1i88 by Molmil](/molmil-images/mine/1i88) | CHALCONE SYNTHASE (G256V) | Descriptor: | CHALCONE SYNTHASE 2, SULFATE ION | Authors: | Jez, J.M, Bowman, M.E, Noel, J.P. | Deposit date: | 2001-03-12 | Release date: | 2001-12-12 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure-guided programming of polyketide chain-length determination in chalcone synthase. Biochemistry, 40, 2001
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6CJO
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![BU of 6cjo by Molmil](/molmil-images/mine/6cjo) | Crystal Structure of Chalcone Isomerase from Medicago Sativa with the G95S mutation. | Descriptor: | Chalcone--flavonone isomerase 1, SULFATE ION | Authors: | Burke, J.R, La Clair, J.J, Philippe, R.N, Pabis, A, Jez, J.M, Cortina, G, Kaltenbach, M, Bowman, M.E, Woods, K.B, Nelson, A.T, Tawfik, D.S, Kamerlin, S.C.L, Noel, J.P. | Deposit date: | 2018-02-26 | Release date: | 2019-03-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases Acs Catalysis, 2019
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1IBM
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![BU of 1ibm by Molmil](/molmil-images/mine/1ibm) | STRUCTURE OF THE THERMUS THERMOPHILUS 30S RIBOSOMAL SUBUNIT IN COMPLEX WITH A MESSENGER RNA FRAGMENT AND COGNATE TRANSFER RNA ANTICODON STEM-LOOP BOUND AT THE A SITE | Descriptor: | 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | Authors: | Ogle, J.M, Brodersen, D.E, Clemons Jr, W.M, Tarry, M.J, Carter, A.P, Ramakrishnan, V. | Deposit date: | 2001-03-28 | Release date: | 2001-05-04 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | Recognition of cognate transfer RNA by the 30S ribosomal subunit. Science, 292, 2001
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