4IQ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4iq7 by Molmil](/molmil-images/mine/4iq7) | Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121 | Descriptor: | (3S,6S)-3-(4-hydroxybenzyl)-6-methylpiperazine-2,5-dione, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Fonvielle, M, Ledu, M.H, Lequin, O, Lecoq, A, Jacquet, M, Thai, R, Dubois, S, Grach, G, Gondry, M, Belin, P. | Deposit date: | 2013-01-11 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Substrate and Reaction Specificity of Mycobacterium tuberculosis Cytochrome P450 CYP121: INSIGHTS FROM BIOCHEMICAL STUDIES AND CRYSTAL STRUCTURES. J.Biol.Chem., 288, 2013
|
|
5KRI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kri by Molmil](/molmil-images/mine/5kri) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 16b-benzyl 17b-estradiol | Descriptor: | (8~{R},9~{S},13~{S},14~{S},16~{R},17~{S})-13-methyl-16-(phenylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-07-07 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.247 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
|
|
5KRA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kra by Molmil](/molmil-images/mine/5kra) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with DDT and DDE | Descriptor: | 1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethenyl]-4-chloranyl-benzene, 1-chloranyl-4-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene, Estrogen receptor, ... | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-07-07 | Release date: | 2017-02-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
|
|
7ADY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ady by Molmil](/molmil-images/mine/7ady) | CO-removed state of the active site of vanadium nitrogenase VFe protein | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ... | Authors: | Rohde, M, Grunau, K, Einsle, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | CO Binding to the FeV Cofactor of CO-Reducing Vanadium Nitrogenase at Atomic Resolution. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
4YBF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ybf by Molmil](/molmil-images/mine/4ybf) | Aspartic Proteinase Sapp2 Secreted from Candida Parapsilosis at 1.25 A Resolution | Descriptor: | Candidapepsin-2, DI(HYDROXYETHYL)ETHER | Authors: | Dostal, J, Hruskova-Heidingsfeldova, O, Rezacova, P, Brynda, J, Mareckova, L, Pichova, I. | Deposit date: | 2015-02-18 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Atomic resolution crystal structure of Sapp2p, a secreted aspartic protease from Candida parapsilosis. Acta Crystallogr.,Sect.D, 71, 2015
|
|
4E3M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e3m by Molmil](/molmil-images/mine/4e3m) | |
5KXB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kxb by Molmil](/molmil-images/mine/5kxb) | Wisteria floribunda lectin in complex with GalNAc | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, MANGANESE (II) ION, ... | Authors: | Evans, S.V, Haji-Ghassemi, O. | Deposit date: | 2016-07-20 | Release date: | 2016-09-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Molecular Basis for Recognition of the Cancer Glycobiomarker, LacdiNAc (GalNAc[ beta 14]GlcNAc), by Wisteria floribunda Agglutinin. J.Biol.Chem., 291, 2016
|
|
4JNN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jnn by Molmil](/molmil-images/mine/4jnn) | Crystal structure of a putative transcriptional regulator from Saccharomonospora viridis in complex with benzamidine | Descriptor: | BENZAMIDINE, BETA-MERCAPTOETHANOL, Transcriptional regulator | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Endres, M, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-03-15 | Release date: | 2013-04-10 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of a putative transcriptional regulator from Saccharomonospora viridis in complex with benzamidine To be Published
|
|
4YSD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ysd by Molmil](/molmil-images/mine/4ysd) | Room temperature structure of copper nitrite reductase from Geobacillus thermodenitrificans | Descriptor: | ACETIC ACID, COPPER (II) ION, Nitrite reductase | Authors: | Fukuda, Y, Tse, K.M, Suzuki, M, Diederichs, K, Hirata, K, Nakane, T, Sugahara, M, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Hatsui, T, Yabashi, M, Nureki, O, Matsumura, H, Inoue, T, Iwata, S, Mizohata, E. | Deposit date: | 2015-03-17 | Release date: | 2016-02-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Redox-coupled structural changes in nitrite reductase revealed by serial femtosecond and microfocus crystallography J.Biochem., 159, 2016
|
|
6ZOK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zok by Molmil](/molmil-images/mine/6zok) | SARS-CoV-2-Nsp1-40S complex, focused on body | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S11, 40S ribosomal protein S13, ... | Authors: | Schubert, K, Karousis, E.D, Jomaa, A, Scaiola, A, Echeverria, B, Gurzeler, L.-A, Leibundgut, M, Thiel, V, Muehlemann, O, Ban, N. | Deposit date: | 2020-07-07 | Release date: | 2020-07-29 | Last modified: | 2021-02-10 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | SARS-CoV-2 Nsp1 binds the ribosomal mRNA channel to inhibit translation. Nat.Struct.Mol.Biol., 27, 2020
|
|
4YSQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ysq by Molmil](/molmil-images/mine/4ysq) | Structure of copper nitrite reductase from Geobacillus thermodenitrificans - 8.38 MGy | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Nitrite reductase, ... | Authors: | Fukuda, Y, Tse, K.M, Suzuki, M, Diederichs, K, Hirata, K, Nakane, T, Sugahara, M, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Hatsui, T, Yabashi, M, Nureki, O, Matsumura, H, Inoue, T, Iwata, S, Mizohata, E. | Deposit date: | 2015-03-17 | Release date: | 2016-02-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Redox-coupled structural changes in nitrite reductase revealed by serial femtosecond and microfocus crystallography J.Biochem., 159, 2016
|
|
4JG9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jg9 by Molmil](/molmil-images/mine/4jg9) | X-ray Crystal Structure of a Putative Lipoprotein from Bacillus anthracis | Descriptor: | Lipoprotein | Authors: | Brunzelle, J.S, Wawrzak, Z, Onopriyenko, O, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-02-28 | Release date: | 2013-03-20 | Method: | X-RAY DIFFRACTION (2.425 Å) | Cite: | X-ray Crystal Structure of a Putative Lipoprotein from Bacillus anthracis To be Published
|
|
4ZG1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zg1 by Molmil](/molmil-images/mine/4zg1) | |
4DE9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4de9 by Molmil](/molmil-images/mine/4de9) | LytR-CPS2A-psr family protein YwtF (TagT) with bound octaprenyl pyrophosphate lipid | Descriptor: | (2Z,6Z,10Z,14Z,18Z,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate, Putative transcriptional regulator ywtF | Authors: | Eberhardt, A, Hoyland, C.N, Vollmer, D, Bisle, S, Cleverley, R.M, Johnsborg, O, Havarstein, S, Lewis, R.J, Vollmer, W. | Deposit date: | 2012-01-20 | Release date: | 2012-04-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.787 Å) | Cite: | Attachment of Capsular Polysaccharide to the Cell Wall in Streptococcus pneumoniae. Microb Drug Resist, 18, 2012
|
|
4DHP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dhp by Molmil](/molmil-images/mine/4dhp) | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2012-01-30 | Release date: | 2013-07-31 | Last modified: | 2013-09-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
|
|
5LB3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lb3 by Molmil](/molmil-images/mine/5lb3) | Crystal structure of human RECQL5 helicase in complex with ADP/Mg. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase Q5, MAGNESIUM ION, ... | Authors: | Newman, J.A, Aitkenhead, H, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-15 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights into the RecQ helicase mechanism revealed by the structure of the helicase domain of human RECQL5. Nucleic Acids Res., 45, 2017
|
|
4ZP3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zp3 by Molmil](/molmil-images/mine/4zp3) | AKAP18:PKA-RIIalpha structure reveals crucial anchor points for recognition of regulatory subunits of PKA | Descriptor: | A-kinase anchor protein 7 isoforms alpha and beta, CADMIUM ION, cAMP-dependent protein kinase type II-alpha regulatory subunit | Authors: | Goetz, F, Roske, Y, Faelber, K, Zuehlke, K, Autenrieth, K, Kreuchwig, A, Krause, G, Herberg, F.W, Daumke, O, Heinemann, U, Klussmann, E. | Deposit date: | 2015-05-07 | Release date: | 2016-05-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | AKAP18:PKA-RII alpha structure reveals crucial anchor points for recognition of regulatory subunits of PKA. Biochem.J., 473, 2016
|
|
4ZNH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4znh by Molmil](/molmil-images/mine/4znh) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 2-Fluoro-substituted OBHS derivative | Descriptor: | 2-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-05-04 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.933 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
|
|
4ZNT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4znt by Molmil](/molmil-images/mine/4znt) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 3-Bromo-substituted OBHS derivative | Descriptor: | 3-bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-05-05 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.903 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
|
|
4ZV5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zv5 by Molmil](/molmil-images/mine/4zv5) | Crystal structure of N-myristoylated mouse mammary tumor virus matrix protein | Descriptor: | MYRISTIC ACID, Matrix protein p10 | Authors: | Zabransky, A, Dolezal, M, Dostal, J, Vanek, O, Hadravova, R, Stokrova, J, Brynda, J, Pichova, I. | Deposit date: | 2015-05-18 | Release date: | 2016-01-27 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Myristoylation drives dimerization of matrix protein from mouse mammary tumor virus. Retrovirology, 13, 2016
|
|
4ZV9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zv9 by Molmil](/molmil-images/mine/4zv9) | 2.00 Angstrom resolution crystal structure of an uncharacterized protein from Escherichia coli O157:H7 str. Sakai | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, PHOSPHATE ION, ... | Authors: | Halavaty, A.S, Wawrzak, Z, Filippova, E.V, Kiryukhina, O, Endres, M, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-05-18 | Release date: | 2015-06-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2.00 Angstrom resolution crystal structure of an uncharacterized protein from Escherichia coli O157:H7 str. Sakai To Be Published
|
|
4FEV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fev by Molmil](/molmil-images/mine/4fev) | Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor pyrazolopyrimidine PP1 | Descriptor: | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ... | Authors: | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-05-30 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance. Biochem.J., 454, 2013
|
|
4L3O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l3o by Molmil](/molmil-images/mine/4l3o) | Crystal Structure of SIRT2 in complex with the macrocyclic peptide S2iL5 | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Yamagata, K, Nishimasu, H, Ishitani, R, Nureki, O. | Deposit date: | 2013-06-06 | Release date: | 2014-02-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.518 Å) | Cite: | Structural Basis for Potent Inhibition of SIRT2 Deacetylase by a Macrocyclic Peptide Inducing Dynamic Structural Change Structure, 22, 2013
|
|
5KXE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kxe by Molmil](/molmil-images/mine/5kxe) | Wisteria floribunda lectin in complex with GalNAc(beta1-4)GlcNAc (LacdiNAc) at pH 4.2 | Descriptor: | CALCIUM ION, MANGANESE (II) ION, PHOSPHATE ION, ... | Authors: | Evans, S.V, Haji-Ghassemi, O. | Deposit date: | 2016-07-20 | Release date: | 2016-09-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Molecular Basis for Recognition of the Cancer Glycobiomarker, LacdiNAc (GalNAc[ beta 14]GlcNAc), by Wisteria floribunda Agglutinin. J.Biol.Chem., 291, 2016
|
|
4ZU2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zu2 by Molmil](/molmil-images/mine/4zu2) | Pseudomonas aeruginosa AtuE | Descriptor: | IODIDE ION, Putative isohexenylglutaconyl-CoA hydratase | Authors: | Poudel, N, Pfannstiel, J, Simon, O, Walter, N, Jendrossek, D, Papageorgiou, A.C. | Deposit date: | 2015-05-15 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The Pseudomonas aeruginosa Isohexenyl Glutaconyl Coenzyme A Hydratase (AtuE) Is Upregulated in Citronellate-Grown Cells and Belongs to the Crotonase Family. Appl.Environ.Microbiol., 81, 2015
|
|