8B5Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8b5y by Molmil](/molmil-images/mine/8b5y) | SHP2 in complex with allosteric imidazopyrazine inhibitor | Descriptor: | (1~{S})-1'-[5-[2-(trifluoromethyl)pyridin-3-yl]sulfanyl-3~{H}-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine, FORMIC ACID, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Torrente, E, Petrocchi, A. | Deposit date: | 2022-09-25 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of a Novel Series of Imidazopyrazine Derivatives as Potent SHP2 Allosteric Inhibitors. Acs Med.Chem.Lett., 14, 2023
|
|
3QYU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qyu by Molmil](/molmil-images/mine/3qyu) | Crystal structure of human cyclophilin D at 1.54 A resolution at room temperature | Descriptor: | Peptidyl-prolyl cis-trans isomerase F | Authors: | Colliandre, L, Gelin, M, Labesse, G, Guichou, J.-F. | Deposit date: | 2011-03-04 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | In-plate protein crystallization, in situ ligand soaking and X-ray diffraction. Acta Crystallogr.,Sect.D, 67, 2011
|
|
3QYZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qyz by Molmil](/molmil-images/mine/3qyz) | Crystal structure of ERK2 in complex with an inhibitor | Descriptor: | 5'-azido-8-bromo-5'-deoxyadenosine, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ... | Authors: | Gelin, M, Pochet, S, Hoh, F, Pirochi, M, Guichou, J.-F, Ferrer, J.-L, Labesse, G. | Deposit date: | 2011-03-04 | Release date: | 2011-08-24 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | In-plate protein crystallization, in situ ligand soaking and X-ray diffraction. Acta Crystallogr.,Sect.D, 67, 2011
|
|
7B8B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b8b by Molmil](/molmil-images/mine/7b8b) | ADPG2 - ENDOPOLYGALACTURONASE FROM ARABIDOPSIS THALIANA | Descriptor: | PHOSPHATE ION, Polygalacturonase ADPG2 | Authors: | Safran, J, Tabi, W, Habrylo, O, Bouckaert, J, Lefebvre, V, Senechal, F, Pelloux, J. | Deposit date: | 2020-12-12 | Release date: | 2022-06-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Plant polygalacturonase structures specify enzyme dynamics and processivities to fine-tune cell wall pectins. Plant Cell, 2023
|
|
7B6S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b6s by Molmil](/molmil-images/mine/7b6s) | Sheep Polyomavirus VP1 in complex with 10 mM Forssman antigen pentaose | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose, ... | Authors: | Rustmeier, N.H, Stehle, T. | Deposit date: | 2020-12-08 | Release date: | 2022-09-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.923 Å) | Cite: | A novel and highly specific Forssman antigen-binding protein from sheep polyomavirus Biorxiv, 2023
|
|
7B6U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b6u by Molmil](/molmil-images/mine/7b6u) | |
7B6T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b6t by Molmil](/molmil-images/mine/7b6t) | Sheep Polyomavirus VP1 in complex with 10 mM globo-N-tetraose | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose, ... | Authors: | Rustmeier, N.H, Stehle, T. | Deposit date: | 2020-12-08 | Release date: | 2022-09-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | A novel and highly specific Forssman antigen-binding protein from sheep polyomavirus Biorxiv, 2023
|
|
7B6V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b6v by Molmil](/molmil-images/mine/7b6v) | Sheep Polyomavirus VP1 in complex with 5 mM Forssman antigen pentaose and 20 mM 3'-sialyllactosamine | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose, 2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ... | Authors: | Rustmeier, N.H, Stehle, T. | Deposit date: | 2020-12-08 | Release date: | 2022-09-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | A novel and highly specific Forssman antigen-binding protein from sheep polyomavirus Biorxiv, 2023
|
|
5N6I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5n6i by Molmil](/molmil-images/mine/5n6i) | Crystal structure of mouse cGAS in complex with 39 bp DNA | Descriptor: | Cyclic GMP-AMP synthase, DNA (36-MER), DNA (37-MER), ... | Authors: | Andreeva, L, Kostrewa, D, Hopfner, K.-P. | Deposit date: | 2017-02-15 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | cGAS senses long and HMGB/TFAM-bound U-turn DNA by forming protein-DNA ladders. Nature, 549, 2017
|
|
6E5A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e5a by Molmil](/molmil-images/mine/6e5a) | PPARg in complex with compound 4b | Descriptor: | (5Z)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one, Peroxisome proliferator-activated receptor gamma | Authors: | Bruning, J.B, Chua, B.S.K. | Deposit date: | 2018-07-19 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Shooting three inflammatory targets with a single bullet: Novel multi-targeting anti-inflammatory glitazones. Eur J Med Chem, 167, 2019
|
|
4HTW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4htw by Molmil](/molmil-images/mine/4htw) | SIVmac239 capsid N-terminal domain | Descriptor: | Gag protein | Authors: | Schmidt, A.G. | Deposit date: | 2012-11-02 | Release date: | 2013-05-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Gain-of-Sensitivity Mutations in a Trim5-Resistant Primary Isolate of Pathogenic SIV Identify Two Independent Conserved Determinants of Trim5alpha Specificity. Plos Pathog., 9, 2013
|
|
4DK9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dk9 by Molmil](/molmil-images/mine/4dk9) | Crystal Structure of MBD4 Catalytic Domain Bound to Abasic DNA | Descriptor: | 5'-D(*AP*AP*GP*AP*CP*GP*TP*GP*GP*AP*C)-3', 5'-D(*TP*GP*TP*CP*CP*AP*(3DR)P*GP*TP*CP*T)-3', Methyl-CpG-binding domain protein 4, ... | Authors: | Manvilla, B.A, Toth, E.A, Drohat, A.C. | Deposit date: | 2012-02-03 | Release date: | 2012-04-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Crystal Structure of Human Methyl-Binding Domain IV Glycosylase Bound to Abasic DNA. J.Mol.Biol., 420, 2012
|
|
4K22
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k22 by Molmil](/molmil-images/mine/4k22) | Structure of the C-terminal truncated form of E.Coli C5-hydroxylase UBII involved in ubiquinone (Q8) biosynthesis | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Pecqueur, L, Lombard, M, Golinelli-pimpaneau, B, Fontecave, M. | Deposit date: | 2013-04-07 | Release date: | 2013-05-29 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | ubiI, a New Gene in Escherichia coli Coenzyme Q Biosynthesis, Is Involved in Aerobic C5-hydroxylation. J.Biol.Chem., 288, 2013
|
|
5TGF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tgf by Molmil](/molmil-images/mine/5tgf) | Crystal structure of putative beta-lactamase from Bacteroides dorei DSM 17855 | Descriptor: | CALCIUM ION, GLYCEROL, Uncharacterized protein | Authors: | Nocek, B, Hatzos-Skintges, C, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2016-09-27 | Release date: | 2016-10-26 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Crystal structure of a beta-lactamase from Bacteroides dorei DSM 17855 To Be Published
|
|
5XWU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xwu by Molmil](/molmil-images/mine/5xwu) | Crystal structure of PTPdelta Ig1-Ig3 in complex with SALM2 LRR-Ig | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Goto-Ito, S, Yamagata, A, Sato, Y, Fukai, S. | Deposit date: | 2017-06-30 | Release date: | 2018-06-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.162 Å) | Cite: | Structural basis of trans-synaptic interactions between PTP delta and SALMs for inducing synapse formation. Nat Commun, 9, 2018
|
|
5XWT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xwt by Molmil](/molmil-images/mine/5xwt) | Crystal structure of PTPdelta Ig1-Fn1 in complex with SALM5 LRR-Ig | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Goto-Ito, S, Yamagata, A, Sato, Y, Fukai, S. | Deposit date: | 2017-06-30 | Release date: | 2018-06-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (4.178 Å) | Cite: | Structural basis of trans-synaptic interactions between PTP delta and SALMs for inducing synapse formation. Nat Commun, 9, 2018
|
|
6SZM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6szm by Molmil](/molmil-images/mine/6szm) | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2009 | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine, AMMONIUM ION, ... | Authors: | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2019-10-02 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Leveraging an Open Science Drug Discovery Model to Develop CNS-Penetrant ALK2 Inhibitors for the Treatment of Diffuse Intrinsic Pontine Glioma. J.Med.Chem., 63, 2020
|
|
8B31
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8b31 by Molmil](/molmil-images/mine/8b31) | |
1RD5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rd5 by Molmil](/molmil-images/mine/1rd5) | Crystal structure of Tryptophan synthase alpha chain homolog BX1: a member of the chemical plant defense system | Descriptor: | MALONIC ACID, Tryptophan synthase alpha chain, chloroplast | Authors: | Kulik, V, Hartmann, E, Weyand, M, Frey, M, Gierl, A, Niks, D, Dunn, M.F, Schlichting, I. | Deposit date: | 2003-11-05 | Release date: | 2004-12-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | On the structural basis of the catalytic mechanism and the regulation of the alpha subunit of tryptophan synthase from Salmonella typhimurium and BX1 from maize, two evolutionarily related enzymes. J.Mol.Biol., 352, 2005
|
|
5XWS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xws by Molmil](/molmil-images/mine/5xws) | Crystal structure of SALM5 LRR-Ig | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich repeat and fibronectin type-III domain-containing protein 5 | Authors: | Goto-Ito, S, Yamagata, A, Sato, Y, Fukai, S. | Deposit date: | 2017-06-30 | Release date: | 2018-06-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.084 Å) | Cite: | Structural basis of trans-synaptic interactions between PTP delta and SALMs for inducing synapse formation. Nat Commun, 9, 2018
|
|
8B6D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8b6d by Molmil](/molmil-images/mine/8b6d) | |
5BUN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bun by Molmil](/molmil-images/mine/5bun) | Crystal structure of an antigenic outer membrane protein ST50 from Salmonella Typhi | Descriptor: | Outer membrane protein, octyl beta-D-glucopyranoside | Authors: | Yoshimura, M, Chuankhayan, P, Lin, C.C, Chen, N.C, Yang, M.C, Fun, H.K. | Deposit date: | 2015-06-04 | Release date: | 2015-12-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Crystal structure of an antigenic outer-membrane protein from Salmonella Typhi suggests a potential antigenic loop and an efflux mechanism. Sci Rep, 5, 2015
|
|
6FY0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fy0 by Molmil](/molmil-images/mine/6fy0) | Crystal structure of a V2-directed, RV144 vaccine-like antibody from HIV-1 infection, CAP228-16H, bound to a heterologous V2 peptide | Descriptor: | CAP228-16H Heavy Chain, CAP228-16H Light Chain, CAP45 V2 peptide, ... | Authors: | Wibmer, C.K, Fernandes, M, Vijayakumar, B, Dirr, H.W, Sayed, Y, Moore, P.L, Morris, L. | Deposit date: | 2018-03-10 | Release date: | 2018-11-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | V2-Directed Vaccine-like Antibodies from HIV-1 Infection Identify an Additional K169-Binding Light Chain Motif with Broad ADCC Activity. Cell Rep, 25, 2018
|
|
8B68
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8b68 by Molmil](/molmil-images/mine/8b68) | |
3NHJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nhj by Molmil](/molmil-images/mine/3nhj) | |