6WSM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wsm by Molmil](/molmil-images/mine/6wsm) | Crystal structure of coiled coil region of human septin 8 | Descriptor: | SULFATE ION, Septin-8 | Authors: | Cabrejos, D.A.L, Cavini, I, Sala, F.A, Valadares, N.F, Pereira, H.M, Brandao-Neto, J, Nascimento, A.F.Z, Uson, I, Araujo, A.P.U, Garratt, R.C. | Deposit date: | 2020-05-01 | Release date: | 2021-03-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.451 Å) | Cite: | Orientational Ambiguity in Septin Coiled Coils and its Structural Basis. J.Mol.Biol., 433, 2021
|
|
3TU5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tu5 by Molmil](/molmil-images/mine/3tu5) | Actin complex with Gelsolin Segment 1 fused to Cobl segment | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | Authors: | Kudryashov, D.S, Sawaya, M.R, Durer, Z.A.O. | Deposit date: | 2011-09-15 | Release date: | 2012-09-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural States and dynamics of the d-loop in actin. Biophys.J., 103, 2012
|
|
4O0A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o0a by Molmil](/molmil-images/mine/4o0a) | Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions | Descriptor: | 5-{4-[({[4-(5-carboxyfuran-2-yl)-2-chlorophenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | Authors: | Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejniczak, E.T, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | Deposit date: | 2013-12-13 | Release date: | 2014-01-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach. J. Med. Chem., 56, 2013
|
|
3U1V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3u1v by Molmil](/molmil-images/mine/3u1v) | X-ray Structure of De Novo design cysteine esterase FR29, Northeast Structural Genomics Consortium Target OR52 | Descriptor: | De Novo design cysteine esterase FR29 | Authors: | Kuzin, A, Su, M, Vorobiev, S.M, Seetharaman, J, Patel, D, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-09-30 | Release date: | 2011-12-07 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.797 Å) | Cite: | Computational design of catalytic dyads and oxyanion holes for ester hydrolysis. J.Am.Chem.Soc., 134, 2012
|
|
6WI3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wi3 by Molmil](/molmil-images/mine/6wi3) | Histone deacetylases complex with peptide macrocycles | Descriptor: | (SHA)W(DTH)DN(DSN)(DME)(DAS)K peptide macrocycle, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
|
|
4O5W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o5w by Molmil](/molmil-images/mine/4o5w) | O6-carboxymethylguanine in DNA forms a sequence context dependent wobble base pair structure with thymine | Descriptor: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*(C6G)P*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION, ... | Authors: | Zhang, F, Tsunoda, M, Suzuki, K, Kikuchi, Y, Wilkinson, O, Millington, C.L, Margison, G.P, Williams, D.M, Takenaka, A. | Deposit date: | 2013-12-20 | Release date: | 2014-07-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | O(6)-Carboxymethylguanine in DNA forms a sequence context-dependent wobble base-pair structure with thymine Acta Crystallogr.,Sect.D, 70, 2014
|
|
4O5Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o5z by Molmil](/molmil-images/mine/4o5z) | O6-carboxymethylguanine in DNA forms a sequence context dependent wobble base pair structure with thymine | Descriptor: | BARIUM ION, DNA (5'-D(*CP*GP*CP*(C6G)P*AP*AP*TP*TP*TP*GP*CP*G)-3'), SODIUM ION | Authors: | Zhang, F, Tsunoda, M, Suzuki, K, Kikuchi, Y, Wilkinson, O, Millington, C.L, Margison, G.P, Williams, D.M, Takenaka, A. | Deposit date: | 2013-12-20 | Release date: | 2014-07-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | O(6)-Carboxymethylguanine in DNA forms a sequence context-dependent wobble base-pair structure with thymine Acta Crystallogr.,Sect.D, 70, 2014
|
|
5W1U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5w1u by Molmil](/molmil-images/mine/5w1u) | Culex quinquefasciatus carboxylesterase B2 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Carboxylic ester hydrolase, MALONATE ION | Authors: | Hopkins, D.H, Jackson, C.J. | Deposit date: | 2017-06-04 | Release date: | 2017-08-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of an Insecticide Sequestering Carboxylesterase from the Disease Vector Culex quinquefasciatus: What Makes an Enzyme a Good Insecticide Sponge? Biochemistry, 56, 2017
|
|
3TW9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tw9 by Molmil](/molmil-images/mine/3tw9) | Crystal structure of gluconate dehydratase (TARGET EFI-501679) from Salmonella enterica subsp. enterica serovar Enteritidis str. P125109 | Descriptor: | CHLORIDE ION, GLYCEROL, Putative dehydratase | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2011-09-21 | Release date: | 2011-10-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of Gluconate Dehydratase from Salmonella Enterica P125109 To be Published
|
|
5W5K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5w5k by Molmil](/molmil-images/mine/5w5k) | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with KV70 | Descriptor: | 10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium, Histone deacetylase 6, POTASSIUM ION, ... | Authors: | Porter, N.J, Christianson, D.W. | Deposit date: | 2017-06-15 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Synthesis and Biological Investigation of Phenothiazine-Based Benzhydroxamic Acids as Selective Histone Deacetylase 6 Inhibitors. J.Med.Chem., 62, 2019
|
|
8SID
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sid by Molmil](/molmil-images/mine/8sid) | |
5VYT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vyt by Molmil](/molmil-images/mine/5vyt) | Crystal structure of the WbkC N-formyltransferase (F142A variant) from Brucella melitensis | Descriptor: | CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Gdp-mannose 4,6-dehydratase / gdp-4-amino-4,6-dideoxy-d-mannose formyltransferase, ... | Authors: | Riegert, A.S, Chantigian, D.P, Thoden, J.B, Holden, H.M. | Deposit date: | 2017-05-26 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Biochemical Characterization of WbkC, an N-Formyltransferase from Brucella melitensis. Biochemistry, 56, 2017
|
|
8SGO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sgo by Molmil](/molmil-images/mine/8sgo) | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus pregnenolone sulfate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ... | Authors: | Legesse, D.H, Fan, C, Teng, J, Zhuang, Y, Howard, R.J, Noviello, C.M, Lindahl, E, Hibbs, R.E. | Deposit date: | 2023-04-12 | Release date: | 2023-08-30 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.65 Å) | Cite: | Structural insights into opposing actions of neurosteroids on GABA A receptors. Nat Commun, 14, 2023
|
|
3L37
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l37 by Molmil](/molmil-images/mine/3l37) | PIE12 D-peptide against HIV entry | Descriptor: | GP41 N-PEPTIDE, HIV ENTRY INHIBITOR PIE12 | Authors: | Welch, B.D, Redman, J.S, Paul, S, Whitby, F.G, Weinstock, M.T, Reeves, J.D, Lie, Y.S, Eckert, D.M, Hill, C.P, Root, M.J, Kay, M.S. | Deposit date: | 2009-12-16 | Release date: | 2010-11-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Design of a potent D-peptide HIV-1 entry inhibitor with a strong barrier to resistance. J.Virol., 84, 2010
|
|
8SI9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8si9 by Molmil](/molmil-images/mine/8si9) | |
6X3B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x3b by Molmil](/molmil-images/mine/6x3b) | |
7MNZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mnz by Molmil](/molmil-images/mine/7mnz) | Crystal Structure of Nup358/RanBP2 Ran-binding domain 4 in complex with Ran-GPPNHP | Descriptor: | E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, MAGNESIUM ION, ... | Authors: | Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A. | Deposit date: | 2021-05-01 | Release date: | 2022-06-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Architecture of the cytoplasmic face of the nuclear pore. Science, 376, 2022
|
|
7MNI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mni by Molmil](/molmil-images/mine/7mni) | Crystal structure of the N-terminal domain of NUP88 in complex with NUP98 C-terminal Autoproteolytic Domain | Descriptor: | Nuclear pore complex protein Nup88, Nuclear pore complex protein Nup98 | Authors: | Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A. | Deposit date: | 2021-05-01 | Release date: | 2022-06-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Architecture of the cytoplasmic face of the nuclear pore. Science, 376, 2022
|
|
1W5Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1w5z by Molmil](/molmil-images/mine/1w5z) | AGAO covalent complex with Benzylhydrazine | Descriptor: | COPPER (II) ION, GLYCEROL, PHENYLETHYLAMINE OXIDASE, ... | Authors: | Duff, A.P, Trambaiolo, D.M, Langley, D.B, Juda, G.A, Shepard, E.M, Dooley, D.M, Freeman, H.C, Guss, J.M. | Deposit date: | 2004-08-11 | Release date: | 2005-12-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Complexes of the Copper-Containing Amine Oxidase from Arthrobacter Globiformis with the Inhibitors Benzylhydrazine and Tranylcypromine. Acta Crystallogr.,Sect.F, 64, 2008
|
|
8S9G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8s9g by Molmil](/molmil-images/mine/8s9g) | SARS-CoV-2 BN.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Fab Heavy chain, ... | Authors: | Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D. | Deposit date: | 2023-03-28 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Neutralization, effector function and immune imprinting of Omicron variants. Nature, 621, 2023
|
|
5W4B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5w4b by Molmil](/molmil-images/mine/5w4b) | The crystal structure of human S-adenosylhomocysteine hydrolase (AHCY) bound to benzothiazole inhibitor | Descriptor: | 1,2-ETHANEDIOL, 4-[(2,5-dioxo-2,5-dihydro-1H-imidazol-1-yl)methyl]-N-[2-(morpholin-4-yl)-1,3-benzothiazol-6-yl]benzamide, Adenosylhomocysteinase, ... | Authors: | Dougan, D.R, Lawson, J.D, Lane, W. | Deposit date: | 2017-06-09 | Release date: | 2017-06-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Identification of AHCY inhibitors using novel high-throughput mass spectrometry. Biochem. Biophys. Res. Commun., 491, 2017
|
|
3UBY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uby by Molmil](/molmil-images/mine/3uby) | Crystal structure of human alklyadenine DNA glycosylase in a lower and higher-affinity complex with DNA | Descriptor: | DNA (5'-D(*GP*AP*CP*AP*TP*GP*(EDC)P*TP*TP*GP*CP*CP*T)-3'), DNA-3-methyladenine glycosylase | Authors: | Setser, J.W, Lingaraju, G.M, Davis, C.A, Samson, L.D, Drennan, C.L. | Deposit date: | 2011-10-25 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Searching for DNA lesions: structural evidence for lower- and higher-affinity DNA binding conformations of human alkyladenine DNA glycosylase. Biochemistry, 51, 2012
|
|
6DID
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6did by Molmil](/molmil-images/mine/6did) | HIV Env BG505 SOSIP with polyclonal Fabs from immunized rabbit #3417 post-boost#1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ... | Authors: | Turner, H.L, Cottrell, C.A, Oyen, D, Wilson, I.A, Ward, A.B. | Deposit date: | 2018-05-23 | Release date: | 2018-09-05 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.71 Å) | Cite: | Electron-Microscopy-Based Epitope Mapping Defines Specificities of Polyclonal Antibodies Elicited during HIV-1 BG505 Envelope Trimer Immunization. Immunity, 49, 2018
|
|
6R2J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r2j by Molmil](/molmil-images/mine/6r2j) | Crystal Structure of Pseudomonas stutzeri endoglucanase Cel5A in complex with cellobiose | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase(Endo-1,4-beta-glucanase)protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Dutoit, R, Delsaute, M, Berlemont, R, Van Elder, D, Galleni, M, Bauvois, C. | Deposit date: | 2019-03-18 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Crystal structure determination of Pseudomonas stutzeri A1501 endoglucanase Cel5A: the search for a molecular basis for glycosynthesis in GH5_5 enzymes. Acta Crystallogr D Struct Biol, 75, 2019
|
|
6RCW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rcw by Molmil](/molmil-images/mine/6rcw) | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-053 | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(furan-2-ylmethyl)prop-2-ynamide, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2019-04-11 | Release date: | 2019-07-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2). Bioorg.Med.Chem., 27, 2019
|
|