2R5Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r5q by Molmil](/molmil-images/mine/2r5q) | Crystal Structure Analysis of HIV-1 Subtype C Protease Complexed with Nelfinavir | Descriptor: | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, Protease | Authors: | Coman, R.M, Robbins, A.H, McKenna, R, Dunn, B.M. | Deposit date: | 2007-09-04 | Release date: | 2007-11-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Contribution of Naturally Occurring Polymorphisms in Altering the Biochemical and Structural Characteristics of HIV-1 Subtype C Protease Biochemistry, 47, 2008
|
|
3U3O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3u3o by Molmil](/molmil-images/mine/3u3o) | Crystal structure of Human SULT1A1 bound to PAP and two 3-Cyano-7-hydroxycoumarin | Descriptor: | 7-hydroxy-2-oxo-2H-chromene-3-carbonitrile, ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase 1A1 | Authors: | Guttman, C, Berger, I, Aharoni, A, Zarivach, R. | Deposit date: | 2011-10-06 | Release date: | 2011-11-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The molecular basis for the broad substrate specificity of human sulfotransferase 1A1. Plos One, 6, 2011
|
|
3HIH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hih by Molmil](/molmil-images/mine/3hih) | |
3HIM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3him by Molmil](/molmil-images/mine/3him) | The Crystal Structure of a Bacterial Regulatory Protein in the tetR Family from Rhodococcus RHA1 to 2.2A | Descriptor: | Probable transcriptional regulator | Authors: | Stein, A.J, Binkowski, T.A, Evdokimova, E, Kagan, O, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-05-20 | Release date: | 2009-05-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Crystal Structure of a Bacterial Regulatory Protein in the tetR Family from Rhodococcus RHA1 to 2.2A To be Published
|
|
2RBP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rbp by Molmil](/molmil-images/mine/2rbp) | |
3U4K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3u4k by Molmil](/molmil-images/mine/3u4k) | |
2RC2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rc2 by Molmil](/molmil-images/mine/2rc2) | |
3HIZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hiz by Molmil](/molmil-images/mine/3hiz) | Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Amzel, L.M, Vogelstein, B, Gabelli, S.B, Mandelker, D. | Deposit date: | 2009-05-20 | Release date: | 2009-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | A frequent kinase domain mutation that changes the interaction between PI3K{alpha} and the membrane. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
3HIO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hio by Molmil](/molmil-images/mine/3hio) | Crystal structure of Ricin A-chain in complex with the cyclic tetranucleotide inhibitor, a transition state analogue | Descriptor: | 9,9'-{(2R,3R,3aR,5S,7aR,9R,10R,10aR,12S,23R,25aR,27R,28R,28aR,30S,32aR,35aR,37S,39aR)-9-(6-amino-9H-purin-9-yl)-34-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-5,12,23,30,37-pentahydroxy-3,10,28-trimethoxy-5,12,23,30,37-pentaoxidotetracosahydro-2H,7H,25H-trifuro[3,2-f:3',2'-l:3'',2''-x]pyrrolo[3,4-r][1,3,5,9,11,15,17,21,23,27,29,2,4,10,16,22,28]undecaoxazapentaphosphacyclopentatriacontine-2,27-diyl}bis(2-amino-3,9-dihydro-6H-purin-6-one), Ricin, SULFATE ION | Authors: | Ho, M, Sturm, M.B, Goldman, J.D, Almo, S.C, Schramm, V.L. | Deposit date: | 2009-05-20 | Release date: | 2009-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Transition state analogues in structures of ricin and saporin ribosome-inactivating proteins. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
3TT6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tt6 by Molmil](/molmil-images/mine/3tt6) | |
3U73
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3u73 by Molmil](/molmil-images/mine/3u73) | Crystal structure of stabilized human uPAR mutant in complex with ATF | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor, Urokinase-type plasminogen activator, ... | Authors: | Huang, M.D, Xu, X, Yuan, C. | Deposit date: | 2011-10-13 | Release date: | 2012-04-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Crystal structure of the urokinase receptor in a ligand-free form. J.Mol.Biol., 416, 2012
|
|
3TTX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ttx by Molmil](/molmil-images/mine/3ttx) | Structure of the F413K variant of E. coli KatE | Descriptor: | Catalase HPII, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Loewen, P.C, Jha, V. | Deposit date: | 2011-09-15 | Release date: | 2011-10-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Mutation of Phe413 to Tyr in catalase KatE from Escherichia coli leads to side chain damage and main chain cleavage. Arch.Biochem.Biophys., 525, 2012
|
|
3HDZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hdz by Molmil](/molmil-images/mine/3hdz) | Identification, Synthesis, and SAR of Amino Substituted Pyrido[3,2b]pryaziones as Potent and Selective PDE5 Inhibitors | Descriptor: | 5-amino-1-butyl-7-phenyl-1,6-naphthyridin-4(1H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Cubbage, J.W, Brown, D.G, Jacobsen, E.J, Walker, J.K, Hughes, R.O. | Deposit date: | 2009-05-07 | Release date: | 2009-07-07 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification, synthesis and SAR of amino substituted pyrido[3,2b]pyrazinones as potent and selective PDE5 inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
|
|
3HFD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hfd by Molmil](/molmil-images/mine/3hfd) | |
2RBY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rby by Molmil](/molmil-images/mine/2rby) | 1-methyl-5-imidazolecarboxaldehyde in complex with Cytochrome C Peroxidase W191G | Descriptor: | 1-methyl-1H-imidazole-5-carbaldehyde, Cytochrome C Peroxidase, PHOSPHATE ION, ... | Authors: | Graves, A.P, Boyce, S.E, Shoichet, B.K. | Deposit date: | 2007-09-19 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Rescoring docking hit lists for model cavity sites: predictions and experimental testing. J.Mol.Biol., 377, 2008
|
|
3HGD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hgd by Molmil](/molmil-images/mine/3hgd) | |
3HHM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hhm by Molmil](/molmil-images/mine/3hhm) | Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha and the drug wortmannin | Descriptor: | (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4, 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... | Authors: | Amzel, L.M, Vogelstein, B, Gabelli, S.B, Mandelker, D. | Deposit date: | 2009-05-15 | Release date: | 2009-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A frequent kinase domain mutation that changes the interaction between PI3K{alpha} and the membrane. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
3TX4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tx4 by Molmil](/molmil-images/mine/3tx4) | Crystal Structure of Mutant (C354A) M. tuberculosis LD-transpeptidase type 2 | Descriptor: | Mycobacterium Tuberculosis LD-transpeptidase type 2 | Authors: | Erdemli, S, Bianchet, M.A, Gupta, R, Lamichhane, G, Amzel, L.M. | Deposit date: | 2011-09-22 | Release date: | 2012-12-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Targeting the Cell Wall of Mycobacterium tuberculosis: Structure and Mechanism of L,D-Transpeptidase 2. Structure, 20, 2012
|
|
3UAX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uax by Molmil](/molmil-images/mine/3uax) | Crystal structure of adenosine phosphorylase from Bacillus cereus complexed with inosine | Descriptor: | GLYCEROL, INOSINE, Purine nucleoside phosphorylase deoD-type, ... | Authors: | Dessanti, P, Zhang, Y, Allegrini, S, Tozzi, M.G, Sgarrella, F, Ealick, S.E. | Deposit date: | 2011-10-22 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural basis of the substrate specificity of Bacillus cereus adenosine phosphorylase. Acta Crystallogr.,Sect.D, 68, 2012
|
|
3HHN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hhn by Molmil](/molmil-images/mine/3hhn) | Crystal structure of class I ligase ribozyme self-ligation product, in complex with U1A RBD | Descriptor: | Class I ligase ribozyme, self-ligation product, MAGNESIUM ION, ... | Authors: | Shechner, D.M, Grant, R.A, Bagby, S.C, Bartel, D.P. | Deposit date: | 2009-05-15 | Release date: | 2009-11-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.987 Å) | Cite: | Crystal structure of the catalytic core of an RNA-polymerase ribozyme. Science, 326, 2009
|
|
2R59
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r59 by Molmil](/molmil-images/mine/2r59) | Leukotriene A4 hydrolase complexed with inhibitor RB3041 | Descriptor: | ACETIC ACID, Leukotriene A-4 hydrolase, N-{(2S)-3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine, ... | Authors: | Tholander, F, Haeggstrom, J.Z, Thunnissen, M, Muroya, A, Roques, B.P, Fournie-Zaluski, M.C. | Deposit date: | 2007-09-03 | Release date: | 2008-08-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure-based dissection of the active site chemistry of leukotriene a4 hydrolase: implications for m1 aminopeptidases and inhibitor design. Chem.Biol., 15, 2008
|
|
3UB6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ub6 by Molmil](/molmil-images/mine/3ub6) | Periplasmic portion of the Helicobacter pylori chemoreceptor TlpB with urea bound | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ... | Authors: | Henderson, J.N, Sweeney, E.G, Goers, J, Wreden, C, Hicks, K.G, Parthasarathy, R, Guillemin, K.J, Remington, S.J. | Deposit date: | 2011-10-23 | Release date: | 2012-06-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Structure and proposed mechanism for the pH-sensing Helicobacter pylori chemoreceptor TlpB. Structure, 20, 2012
|
|
2RDI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rdi by Molmil](/molmil-images/mine/2rdi) | |
3HI7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hi7 by Molmil](/molmil-images/mine/3hi7) | Crystal structure of human diamine oxidase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Amiloride-sensitive amine oxidase, CALCIUM ION, ... | Authors: | McGrath, A.P, Guss, J.M. | Deposit date: | 2009-05-19 | Release date: | 2009-10-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Structure and inhibition of human diamine oxidase Biochemistry, 48, 2009
|
|
2REF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ref by Molmil](/molmil-images/mine/2ref) | |