4JTA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jta by Molmil](/molmil-images/mine/4jta) | Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Charybdotoxin | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ... | Authors: | MacKinnon, R, Banerjee, A, Lee, A, Campbell, E. | Deposit date: | 2013-03-23 | Release date: | 2013-06-12 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel. Elife, 2, 2013
|
|
5OEK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5oek by Molmil](/molmil-images/mine/5oek) | Putative active dimeric state of GHR transmembrane domain | Descriptor: | Growth hormone receptor | Authors: | Lesovoy, D.M, Bocharov, E.V, Bocharova, O.V, Urban, A.S, Arseniev, A.S. | Deposit date: | 2017-07-08 | Release date: | 2018-04-11 | Last modified: | 2024-07-03 | Method: | SOLUTION NMR | Cite: | Structural basis of the signal transduction via transmembrane domain of the human growth hormone receptor. Biochim. Biophys. Acta, 1862, 2018
|
|
5OHD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ohd by Molmil](/molmil-images/mine/5ohd) | Putative inactive (dormant) dimeric state of GHR transmembrane domain | Descriptor: | Growth hormone receptor | Authors: | Lesovoy, D.M, Bocharov, E.V, Bocharova, O.V, Urban, A.S, Arseniev, A.S. | Deposit date: | 2017-07-15 | Release date: | 2018-04-11 | Last modified: | 2024-07-03 | Method: | SOLUTION NMR | Cite: | Structural basis of the signal transduction via transmembrane domain of the human growth hormone receptor. Biochim. Biophys. Acta, 1862, 2018
|
|
4D08
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d08 by Molmil](/molmil-images/mine/4d08) | PDE2a catalytic domain in complex with a brain penetrant inhibitor | Descriptor: | 1-(5-butoxypyridin-3-yl)-4-methyl-8-(morpholin-4-ylmethyl)[1,2,4]triazolo[4,3-a]quinoxaline, CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE, ... | Authors: | Buijnsters, P, Andres, J.I, DeAngelis, M, Langlois, X, Rombouts, F, Sanderson, W, Tresadern, G, Trabanco, A, VanHoof, G, VanRoosbroeck, Y. | Deposit date: | 2014-04-24 | Release date: | 2014-08-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Design of a Potent, Selective, and Brain Penetrating Pde2 Inhibitor with Demonstrated Target Engagement. Acs Med.Chem.Lett., 5, 2014
|
|
1XFD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xfd by Molmil](/molmil-images/mine/1xfd) | Structure of a human A-type Potassium Channel Accelerating factor DPPX, a member of the dipeptidyl aminopeptidase family | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl aminopeptidase-like protein 6, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Strop, P, Bankovich, A.J, Hansen, K.C, Garcia, K.C, Brunger, A.T. | Deposit date: | 2004-09-14 | Release date: | 2004-10-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of a human A-type potassium channel interacting protein DPPX, a member of the dipeptidyl aminopeptidase family J.Mol.Biol., 343, 2004
|
|
2VTF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vtf by Molmil](/molmil-images/mine/2vtf) | X-ray crystal structure of the Endo-beta-N-acetylglucosaminidase from Arthrobacter protophormiae E173Q mutant reveals a TIM barrel catalytic domain and two ancillary domains | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ENDO-BETA-N-ACETYLGLUCOSAMINIDASE, TRIETHYLENE GLYCOL | Authors: | Ling, Z, Bingham, R.J, Suits, M.D.L, Moir, J.W.B, Fairbanks, A.J, Taylor, E.J. | Deposit date: | 2008-05-14 | Release date: | 2009-03-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | The X-Ray Crystal Structure of an Arthrobacter Protophormiae Endo-Beta-N-Acetylglucosaminidase Reveals a (Beta/Alpha)(8) Catalytic Domain, Two Ancillary Domains and Active Site Residues Key for Transglycosylation Activity. J.Mol.Biol., 389, 2009
|
|
4D09
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d09 by Molmil](/molmil-images/mine/4d09) | PDE2a catalytic domain in complex with a brain penetrant inhibitor | Descriptor: | CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE, MAGNESIUM ION, ... | Authors: | Buijnsters, P, Andres, J.I, DeAngelis, M, Langlois, X, Rombouts, F, Sanderson, W, Tresadern, G, Trabanco, A, VanHoof, G, VanRoosbroeck, Y. | Deposit date: | 2014-04-24 | Release date: | 2014-08-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design of a Potent, Selective, and Brain Penetrating Pde2 Inhibitor with Demonstrated Target Engagement. Acs Med.Chem.Lett., 5, 2014
|
|
1FJ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fj5 by Molmil](/molmil-images/mine/1fj5) | TAMOXIFEN-DNA ADDUCT | Descriptor: | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINIUM, DNA (5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3') | Authors: | Shimotakahara, S, Gorin, A, Kolbanovskiy, A, Kettani, A, Hingerty, B.E, Amin, S, Broyde, S, Geacintov, N, Patel, D.J. | Deposit date: | 2000-08-07 | Release date: | 2000-09-11 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Accomodation of S-cis-tamoxifen-N(2)-guanine adduct within a bent and widened DNA minor groove. J.Mol.Biol., 302, 2000
|
|
1Y9H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1y9h by Molmil](/molmil-images/mine/1y9h) | Methylation of cytosine at C5 in a CpG sequence context causes a conformational switch of a benzo[a]pyrene diol epoxide-N2-guanine adduct in DNA from a minor groove alignment to intercalation with base displacement | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 5'-D(*CP*CP*AP*TP*(5CM)P*(BPG)P*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3' | Authors: | Zhang, N, Lin, C, Huang, X, Kolbanovskiy, A, Hingerty, B.E, Amin, S, Broyde, S, Geacintov, N.E, Patel, D.J. | Deposit date: | 2004-12-15 | Release date: | 2005-03-22 | Last modified: | 2024-04-24 | Method: | SOLUTION NMR | Cite: | Methylation of cytosine at C5 in a CpG sequence context causes a conformational switch of a benzo[a]pyrene diol epoxide-N2-guanine adduct in DNA from a minor groove alignment to intercalation with base displacement. J.Mol.Biol., 346, 2005
|
|
1BFK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bfk by Molmil](/molmil-images/mine/1bfk) | |
1HWV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1hwv by Molmil](/molmil-images/mine/1hwv) | MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY | Descriptor: | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL, 5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3' | Authors: | Patel, D.J, Lin, C.H, Geacintov, N.E, Broyde, S, Huang, X, Kolbanovskii, A, Hingerty, B.E, Amin, S. | Deposit date: | 2001-01-10 | Release date: | 2001-03-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Molecular topology of polycyclic aromatic carcinogens determines DNA adduct conformation: a link to tumorigenic activity. J.Mol.Biol., 306, 2001
|
|
1HX4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1hx4 by Molmil](/molmil-images/mine/1hx4) | MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY | Descriptor: | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL, 5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3' | Authors: | Patel, D.J, Lin, C.H, Geacintov, N.E, Broyde, S, Huang, X, Kolbanovskii, A, Hingerty, B.E, Amin, S. | Deposit date: | 2001-01-11 | Release date: | 2001-03-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Molecular topology of polycyclic aromatic carcinogens determines DNA adduct conformation: a link to tumorigenic activity. J.Mol.Biol., 306, 2001
|
|
1SCA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1sca by Molmil](/molmil-images/mine/1sca) | ENZYME CRYSTAL STRUCTURE IN A NEAT ORGANIC SOLVENT | Descriptor: | CALCIUM ION, SODIUM ION, SUBTILISIN CARLSBERG | Authors: | Fitzpatrick, P.A, Steinmetz, A.C.U, Ringe, D, Klibanov, A.M. | Deposit date: | 1993-07-19 | Release date: | 1994-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Enzyme crystal structure in a neat organic solvent. Proc.Natl.Acad.Sci.USA, 90, 1993
|
|
1BE8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1be8 by Molmil](/molmil-images/mine/1be8) | TRANS-CINNAMOYL-SUBTILISIN IN WATER | Descriptor: | CALCIUM ION, PHENYLETHYLENECARBOXYLIC ACID, SUBTILISIN CARLSBERG | Authors: | Schmitke, J.L, Stern, L.J, Klibanov, A.M. | Deposit date: | 1998-05-20 | Release date: | 1998-10-28 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Comparison of x-ray crystal structures of an acyl-enzyme intermediate of subtilisin Carlsberg formed in anhydrous acetonitrile and in water. Proc.Natl.Acad.Sci.USA, 95, 1998
|
|
1BFU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bfu by Molmil](/molmil-images/mine/1bfu) | SUBTILISIN CARLSBERG IN 20% DIOXANE | Descriptor: | 1,4-DIETHYLENE DIOXIDE, CALCIUM ION, SUBTILISIN CARLSBERG | Authors: | Schmitke, J.L, Stern, L.J, Klibanov, A.M. | Deposit date: | 1998-05-22 | Release date: | 1998-10-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Organic solvent binding to crystalline subtilisin1 in mostly aqueous media and in the neat solvents. Biochem.Biophys.Res.Commun., 248, 1998
|
|
1YQY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1yqy by Molmil](/molmil-images/mine/1yqy) | Structure of B. Anthrax Lethal factor in complex with a hydroxamate inhibitor | Descriptor: | (2R)-2-{[(4-FLUORO-3-METHYLPHENYL)SULFONYL]AMINO}-N-HYDROXY-2-TETRAHYDRO-2H-PYRAN-4-YLACETAMIDE, Lethal factor, ZINC ION | Authors: | Shoop, W.L, Xiong, Y, Wiltsie, J, Woods, A, Guo, J, Pivnichny, J.V, Felcetto, T, Michael, B.F, Bansal, A. | Deposit date: | 2005-02-02 | Release date: | 2005-05-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Anthrax lethal factor inhibition. Proc.Natl.Acad.Sci.Usa, 102, 2005
|
|
3RSM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rsm by Molmil](/molmil-images/mine/3rsm) | Crystal structure of S108C mutant of PMM/PGM | Descriptor: | PHOSPHATE ION, Phosphomannomutase/phosphoglucomutase, ZINC ION | Authors: | Akella, A, Anbanandam, A, Kelm, A, Wei, Y, Mehra-Chaudhary, R, Beamer, L, Van Doren, S. | Deposit date: | 2011-05-02 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Solution NMR of a 463-residue phosphohexomutase: domain 4 mobility, substates, and phosphoryl transfer defect. Biochemistry, 51, 2012
|
|
1GUW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1guw by Molmil](/molmil-images/mine/1guw) | STRUCTURE OF THE CHROMODOMAIN FROM MOUSE HP1beta IN COMPLEX WITH THE LYSINE 9-METHYL HISTONE H3 N-TERMINAL PEPTIDE, NMR, 25 STRUCTURES | Descriptor: | CHROMOBOX PROTEIN HOMOLOG 1, HISTONE H3.1 | Authors: | Nielsen, P.R, Nietlispach, D, Mott, H.R, Callaghan, J.M, Bannister, A, Kouzarides, T, Murzin, A.G, Murzina, N.V, Laue, E.D. | Deposit date: | 2002-02-01 | Release date: | 2002-03-12 | Last modified: | 2018-01-17 | Method: | SOLUTION NMR | Cite: | Structure of the Hp1 Chromodomain Bound to Histone H3 Methylated at Lysine 9 Nature, 416, 2002
|
|
7KW8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kw8 by Molmil](/molmil-images/mine/7kw8) | NMR Structure of a tRNA 2'-phosphotransferase from Runella slithyformis | Descriptor: | tRNA 2'-phosphotransferase | Authors: | Alphonse, S, Dantuluri, S, Banerjee, A, Shuman, S, Ghose, R. | Deposit date: | 2020-11-30 | Release date: | 2021-10-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR solution structures of Runella slithyformis RNA 2'-phosphotransferase Tpt1 provide insights into NAD+ binding and specificity. Nucleic Acids Res., 49, 2021
|
|
1SCB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1scb by Molmil](/molmil-images/mine/1scb) | ENZYME CRYSTAL STRUCTURE IN A NEAT ORGANIC SOLVENT | Descriptor: | ACETONITRILE, CALCIUM ION, SUBTILISIN CARLSBERG | Authors: | Fitzpatrick, P.A, Steinmetz, A.C.U, Ringe, D, Klibanov, A.M. | Deposit date: | 1993-07-13 | Release date: | 1994-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Enzyme crystal structure in a neat organic solvent. Proc.Natl.Acad.Sci.USA, 90, 1993
|
|
3DCV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dcv by Molmil](/molmil-images/mine/3dcv) | Crystal structure of human Pim1 kinase complexed with 4-(4-hydroxy-3-methyl-phenyl)-6-phenylpyrimidin-2(1H)-one | Descriptor: | 4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5H)-one, Proto-oncogene serine/threonine-protein kinase Pim-1 | Authors: | Bellamacina, C.R, Shafer, C.M, Lindvall, M, Gesner, T.G, Yabannavar, A, Weiping, J, Song, L, Walter, A. | Deposit date: | 2008-06-04 | Release date: | 2008-08-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 4-(1H-indazol-5-yl)-6-phenylpyrimidin-2(1H)-one analogs as potent CDC7 inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
|
|
1RRQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rrq by Molmil](/molmil-images/mine/1rrq) | MutY adenine glycosylase in complex with DNA containing an A:oxoG pair | Descriptor: | 5'-D(*TP*GP*TP*CP*CP*AP*AP*GP*TP*CP*T)-3', 5'-D(AP*AP*GP*AP*CP*(8OG)P*TP*GP*GP*AP*C)-3', CALCIUM ION, ... | Authors: | Fromme, J.C, Banerjee, A, Huang, S.J, Verdine, G.L. | Deposit date: | 2003-12-08 | Release date: | 2004-02-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structural basis for removal of adenine mispaired with 8-oxoguanine by MutY adenine DNA glycosylase Nature, 427, 2004
|
|
4D2G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d2g by Molmil](/molmil-images/mine/4d2g) | Crystal structure of human PCNA in complex with p15 peptide | Descriptor: | P15, PROLIFERATING CELL NUCLEAR ANTIGEN | Authors: | DeBiasio, A, Ibanez, A, Mortuza, G, Molina, R, Cordeiro, T.N, Castillo, F, Villate, M, Merino, N, Lelli, M, Diercks, T, Luque, I, Bernardo, P, Montoya, G, Blanco, F.J. | Deposit date: | 2014-05-09 | Release date: | 2015-03-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure of P15(Paf)-PCNA Complex and Implications for Clamp Sliding During DNA Replication and Repair. Nat.Commun., 6, 2015
|
|
3S26
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3s26 by Molmil](/molmil-images/mine/3s26) | Crystal Structure of Murine Siderocalin (Lipocalin 2, 24p3) | Descriptor: | Neutrophil gelatinase-associated lipocalin, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Correnti, C, Bandaranayake, A.D, Strong, R.K. | Deposit date: | 2011-05-16 | Release date: | 2011-09-28 | Last modified: | 2021-03-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Daedalus: a robust, turnkey platform for rapid production of decigram quantities of active recombinant proteins in human cell lines using novel lentiviral vectors. Nucleic Acids Res., 39, 2011
|
|
1SCD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1scd by Molmil](/molmil-images/mine/1scd) | |