4ENZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4enz by Molmil](/molmil-images/mine/4enz) | Structure of human ceruloplasmin at 2.6 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (II) ION, ... | Authors: | Samygina, V.R, Sokolov, A.V, Bourenkov, G, Vasilyev, V.B, Bartunik, H. | Deposit date: | 2012-04-13 | Release date: | 2013-04-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Ceruloplasmin: macromolecular assemblies with iron-containing acute phase proteins. Plos One, 8, 2013
|
|
3HYE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hye by Molmil](/molmil-images/mine/3hye) | Crystal structure of 20S proteasome in complex with hydroxylated salinosporamide | Descriptor: | (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carbaldehyde, Proteasome component C1, Proteasome component C11, ... | Authors: | Groll, M, Arthur, K.A.M, Macherla, V.R, Manam, R.R, Potts, B.C. | Deposit date: | 2009-06-22 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Snapshots of the fluorosalinosporamide/20S complex offer mechanistic insights for fine tuning proteasome inhibition J.Med.Chem., 52, 2009
|
|
3I3Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3i3z by Molmil](/molmil-images/mine/3i3z) | Human insulin | Descriptor: | Insulin A chain, Insulin B chain | Authors: | Timofeev, V.I, Bezuglov, V.V, Miroshnikov, K.A, Cuprov-Netochin, R.N, Samigina, V.R, Kuranova, I.P. | Deposit date: | 2009-07-01 | Release date: | 2010-01-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray investigation of gene-engineered human insulin crystallized from a solution containing polysialic acid. Acta Crystallogr.,Sect.F, 66, 2010
|
|
7KFL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kfl by Molmil](/molmil-images/mine/7kfl) | Crystal structure of the cargo-binding domain from the plant class XI myosin (MyoXIk) | Descriptor: | Myosin-17 | Authors: | Turowski, V.R, Ruiz, D.M, Nascimento, A.F.Z, Millan, C, Sammito, M.D, Juanhuix, J, Cremonesi, A.S, Uson, I, Giuseppe, P.O, Murakami, M.T. | Deposit date: | 2020-10-14 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of the class XI myosin globular tail reveals evolutionary hallmarks for cargo recognition in plants. Acta Crystallogr D Struct Biol, 77, 2021
|
|
3JTM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3jtm by Molmil](/molmil-images/mine/3jtm) | Structure of recombinant formate dehydrogenase from Arabidopsis thaliana | Descriptor: | AZIDE ION, Formate dehydrogenase, mitochondrial, ... | Authors: | Timofeev, V.I, Shabalin, I.G, Serov, A.E, Polyakov, K.M, Popov, V.O, Tishkov, V.I, Kuranova, I.P, Samigina, V.R. | Deposit date: | 2009-09-13 | Release date: | 2010-09-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of recombinant formate dehydrogenase from Arabidopsis thaliana to be published
|
|
6DXK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dxk by Molmil](/molmil-images/mine/6dxk) | Glucocorticoid Receptor in complex with Compound 11 | Descriptor: | (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name), Glucocorticoid receptor | Authors: | Rew, Y, Du, X, Eksterowicz, J, Zhou, H, Jahchan, N, Zhu, L, Yan, X, Kawai, H, McGee, L.R, Medina, J.C, Huang, T, Chen, C, Zavorotinskaya, T, Sutimantanapi, D, Waszczuk, J, Jackson, E, Huang, E, Ye, Q, Fantin, V.R, Daqing, S. | Deposit date: | 2018-06-29 | Release date: | 2018-10-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Discovery of a Potent and Selective Steroidal Glucocorticoid Receptor Antagonist (ORIC-101). J. Med. Chem., 61, 2018
|
|
5KDI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kdi by Molmil](/molmil-images/mine/5kdi) | How FAPP2 Selects Simple Glycosphingolipids Using the GLTP-fold | Descriptor: | (~{Z})-~{N}-[(~{E},2~{S},3~{R})-1-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadec-9-enamide, Pleckstrin homology domain-containing family A member 8 | Authors: | Ochoa-Lizarralde, B, Popov, A.N, Samygina, V.R, Patel, D.J, Brown, R.E, Malinina, L. | Deposit date: | 2016-06-08 | Release date: | 2017-12-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural analyses of 4-phosphate adaptor protein 2 yield mechanistic insights into sphingolipid recognition by the glycolipid transfer protein family. J.Biol.Chem., 293, 2018
|
|
5L5N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l5n by Molmil](/molmil-images/mine/5l5n) | Plexin A4 full extracellular region, domains 1 to 7 modeled, data to 8.5 angstrom, spacegroup P4(3)22 | Descriptor: | Plexin-A4 | Authors: | Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y. | Deposit date: | 2016-05-28 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (8.502 Å) | Cite: | Structural Basis for Plexin Activation and Regulation. Neuron, 91, 2016
|
|
5L5G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l5g by Molmil](/molmil-images/mine/5l5g) | Plexin A2 full extracellular region, domains 1 to 8 modeled, data to 10 angstrom | Descriptor: | Plexin-A2 | Authors: | Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y. | Deposit date: | 2016-05-28 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (10 Å) | Cite: | Structural Basis for Plexin Activation and Regulation. Neuron, 91, 2016
|
|
5L5M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l5m by Molmil](/molmil-images/mine/5l5m) | Plexin A4 full extracellular region, domains 1 to 7 modeled, data to 8 angstrom, spacegroup P4(3)2(1)2 | Descriptor: | Plexin-A4 | Authors: | Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y. | Deposit date: | 2016-05-28 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (8 Å) | Cite: | Structural Basis for Plexin Activation and Regulation. Neuron, 91, 2016
|
|
6FVE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fve by Molmil](/molmil-images/mine/6fve) | |
6FVH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fvh by Molmil](/molmil-images/mine/6fvh) | |
1JUU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1juu by Molmil](/molmil-images/mine/1juu) | NMR Structure of a Parallel Stranded DNA Duplex at Atomic Resolution | Descriptor: | 5'-D(P*CP*CP*AP*TP*AP*AP*TP*TP*TP*AP*CP*C)-3', 5'-D(P*CP*CP*TP*AP*TP*TP*AP*AP*AP*TP*CP*C)-3' | Authors: | Parvathy, V.R, Bhaumik, S.R, Chary, K.V.R, Govil, G, Liu, K, Howard, F.B, Miles, H.T. | Deposit date: | 2001-08-28 | Release date: | 2002-04-03 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR structure of a parallel-stranded DNA duplex at atomic resolution. Nucleic Acids Res., 30, 2002
|
|
8FGW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fgw by Molmil](/molmil-images/mine/8fgw) | Human IFT-A complex structures provide molecular insights into ciliary transport | Descriptor: | Intraflagellar transport protein 122 homolog, Intraflagellar transport protein 140 homolog, Intraflagellar transport protein 43 homolog, ... | Authors: | Jiang, M, Palicharla, V.R, Miller, D, Hwang, S.H, Zhu, H, Hixson, P, Mukhopadhyay, S, Sun, J. | Deposit date: | 2022-12-12 | Release date: | 2023-02-22 | Last modified: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Human IFT-A complex structures provide molecular insights into ciliary transport. Cell Res., 33, 2023
|
|
8FH3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fh3 by Molmil](/molmil-images/mine/8fh3) | Human IFT-A complex structures provide molecular insights into ciliary transport | Descriptor: | Intraflagellar transport protein 122 homolog, Intraflagellar transport protein 140 homolog, Tubby-related protein 3, ... | Authors: | Jiang, M, Palicharla, V.R, Miller, D, Hwang, S.H, Zhu, H, Hixson, P, Mukhopadhyay, S, Sun, J. | Deposit date: | 2022-12-13 | Release date: | 2023-02-22 | Last modified: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Human IFT-A complex structures provide molecular insights into ciliary transport. Cell Res., 33, 2023
|
|
6TPF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tpf by Molmil](/molmil-images/mine/6tpf) | Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | Descriptor: | (1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide, Tyrosine-protein kinase JAK1 | Authors: | Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Griessner, A, Ritzen, A. | Deposit date: | 2019-12-13 | Release date: | 2020-06-10 | Last modified: | 2020-07-22 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity. J.Med.Chem., 63, 2020
|
|
1B9T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1b9t by Molmil](/molmil-images/mine/1b9t) | NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN THE ACTIVE SITE | Descriptor: | 1-(4-CARBOXY-2-GUANIDINOPENTYL)-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Finley, J.B, Atigadda, V.R, Duarte, F, Zhao, J.J, Brouillette, W.J, Air, G.M, Luo, M. | Deposit date: | 1999-02-15 | Release date: | 1999-02-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions with conserved residues and water molecules in the active site. J.Mol.Biol., 293, 1999
|
|
1B9S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1b9s by Molmil](/molmil-images/mine/1b9s) | NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN THE ACTIVE SITE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID, CALCIUM ION, ... | Authors: | Finley, J.B, Atigadda, V.R, Duarte, F, Zhao, J.J, Brouillette, W.J, Air, G.M, Luo, M. | Deposit date: | 1999-02-15 | Release date: | 1999-02-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions with conserved residues and water molecules in the active site. J.Mol.Biol., 293, 1999
|
|
6TPE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tpe by Molmil](/molmil-images/mine/6tpe) | Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | Descriptor: | 2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile, Tyrosine-protein kinase JAK1 | Authors: | Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Jestel, A, Lammens, A, Ritzen, A. | Deposit date: | 2019-12-13 | Release date: | 2020-06-10 | Last modified: | 2020-07-22 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity. J.Med.Chem., 63, 2020
|
|
1B9V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1b9v by Molmil](/molmil-images/mine/1b9v) | NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN TEH ACTIVE SITE | Descriptor: | 1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Finley, J.B, Atigadda, V.R, Duarte, F, Zahao, J.J, Brouillette, W.J, Air, G.M, Luo, M. | Deposit date: | 1999-02-15 | Release date: | 1999-02-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions with conserved residues and water molecules in the active site. J.Mol.Biol., 293, 1999
|
|
7QFC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qfc by Molmil](/molmil-images/mine/7qfc) | Crystal structure of cytotoxin 13 from Naja naja, orthorhombic form | Descriptor: | Cytotoxin 13 | Authors: | Samygina, V.R, Dubova, K.M, Bourenkov, G, Utkin, Y.N, Dubovskii, P.V. | Deposit date: | 2021-12-05 | Release date: | 2022-04-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Variability in the Spatial Structure of the Central Loop in Cobra Cytotoxins Revealed by X-ray Analysis and Molecular Modeling. Toxins, 14, 2022
|
|
7QHI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qhi by Molmil](/molmil-images/mine/7qhi) | Crystal structure of cytotoxin 13 from Naja naja, hexagonal form | Descriptor: | Cytotoxin 13 | Authors: | Samygina, V.R, Dubova, K.M, Bourenkov, G, Utkin, Y.N, Dubovskii, P.V. | Deposit date: | 2021-12-12 | Release date: | 2022-04-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Variability in the Spatial Structure of the Central Loop in Cobra Cytotoxins Revealed by X-ray Analysis and Molecular Modeling. Toxins, 14, 2022
|
|
7QLP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qlp by Molmil](/molmil-images/mine/7qlp) | Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.3 A resolution | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Hakanpaa, J, Petrova, T, Samygina, V.R, Lamzin, V.S, Egorov, A.M. | Deposit date: | 2021-12-20 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam. Acta Crystallogr D Struct Biol, 78, 2022
|
|
7QNK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qnk by Molmil](/molmil-images/mine/7qnk) | Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.5 A resolution | Descriptor: | ACETATE ION, Beta-lactamase TEM, TAZOBACTAM INTERMEDIATE | Authors: | Hakanpaa, J, Petrova, T, Samygina, V.R, Lamzin, V.S, Egorov, A.M. | Deposit date: | 2021-12-21 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam. Acta Crystallogr D Struct Biol, 78, 2022
|
|
7QOR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qor by Molmil](/molmil-images/mine/7qor) | Structure of beta-lactamase TEM-171 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Hakanpaa, J, Petrova, T, Samygina, V.R, Chojnowski, G, Lamzin, V, Egorov, A.M. | Deposit date: | 2021-12-28 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam. Acta Crystallogr D Struct Biol, 78, 2022
|
|