4W50
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w50 by Molmil](/molmil-images/mine/4w50) | Structure of the EphA4 LBD in complex with peptide | Descriptor: | 1,3-BUTANEDIOL, APY peptide, Ephrin type-A receptor 4, ... | Authors: | Lechtenberg, B.C, Mace, P.D, Riedl, S.J. | Deposit date: | 2014-08-16 | Release date: | 2014-10-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Development and Structural Analysis of a Nanomolar Cyclic Peptide Antagonist for the EphA4 Receptor. Acs Chem.Biol., 9, 2014
|
|
8BX5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bx5 by Molmil](/molmil-images/mine/8bx5) | |
8BXD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bxd by Molmil](/molmil-images/mine/8bxd) | |
8BXF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bxf by Molmil](/molmil-images/mine/8bxf) | |
8BXE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bxe by Molmil](/molmil-images/mine/8bxe) | |
8BYI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8byi by Molmil](/molmil-images/mine/8byi) | Alvinella pompejana nicotinic acetylcholine receptor Alpo4 in complex with CHAPS(Alpo4_CHAPS) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Acetylcholine receptor, ... | Authors: | De Gieter, S, Efremov, R.G, Ulens, C. | Deposit date: | 2022-12-13 | Release date: | 2023-07-12 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Sterol derivative binding to the orthosteric site causes conformational changes in an invertebrate Cys-loop receptor. Elife, 12, 2023
|
|
7QWU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qwu by Molmil](/molmil-images/mine/7qwu) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 44 | Descriptor: | 1,2-ETHANEDIOL, 1-[5-[2-(3-azanylpropyl)-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A | Authors: | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | Deposit date: | 2022-01-25 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
|
|
7OBO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7obo by Molmil](/molmil-images/mine/7obo) | GSTF1 from Alopecurus myosuroides | Descriptor: | (2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid, Glutathione transferase | Authors: | Pohl, E, Eno, R.F.M, Freitag-Pohl, S. | Deposit date: | 2021-04-23 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Flavonoid-based inhibitors of the Phi-class glutathione transferase from black-grass to combat multiple herbicide resistance. Org.Biomol.Chem., 19, 2021
|
|
3ES8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3es8 by Molmil](/molmil-images/mine/3es8) | Crystal structure of divergent enolase from Oceanobacillus Iheyensis complexed with Mg and L-malate. | Descriptor: | (2S)-2-hydroxybutanedioic acid, MAGNESIUM ION, Muconate cycloisomerase | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-10-04 | Release date: | 2008-10-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Computation-facilitated assignment of the function in the enolase superfamily: a regiochemically distinct galactarate dehydratase from Oceanobacillus iheyensis . Biochemistry, 48, 2009
|
|
1I7Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1i7z by Molmil](/molmil-images/mine/1i7z) | ANTIBODY GNC92H2 BOUND TO LIGAND | Descriptor: | CHIMERA OF IG GAMMA-1 CHAIN: HUMAN CONSTANT REGION AND MOUSE VARIABLE REGION, CHIMERA OF IG KAPPA CHAIN: HUMAN CONSTANT REGION AND MOUSE VARIABLE REGION, COCAINE | Authors: | Larsen, N.A, Wilson, I.A. | Deposit date: | 2001-03-12 | Release date: | 2001-08-08 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a cocaine-binding antibody. J.Mol.Biol., 311, 2001
|
|
6UJA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uja by Molmil](/molmil-images/mine/6uja) | Integrin alpha-v beta-8 in complex with pro-TGF-beta1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Campbell, M.G, Cormier, A, Cheng, Y, Nishimura, S.L. | Deposit date: | 2019-10-02 | Release date: | 2020-02-05 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM Reveals Integrin-Mediated TGF-beta Activation without Release from Latent TGF-beta. Cell, 180, 2020
|
|
3KT0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kt0 by Molmil](/molmil-images/mine/3kt0) | Crystal structure of S. cerevisiae tryptophanyl-tRNA synthetase | Descriptor: | (2S)-1-{[(2S)-3-(2-methoxyethoxy)-2-methylpropyl]oxy}propan-2-amine, Tryptophanyl-tRNA synthetase, cytoplasmic | Authors: | Zhou, M, Dong, X, Zhong, C, Shen, N, Ding, J. | Deposit date: | 2009-11-24 | Release date: | 2010-02-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of Saccharomyces cerevisiae tryptophanyl-tRNA synthetase: new insights into the mechanism of tryptophan activation and implications for anti-fungal drug design Nucleic Acids Res., 38, 2010
|
|
4AKC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4akc by Molmil](/molmil-images/mine/4akc) | Structure of Galactose Binding lectin from Champedak (CGB) with Gal(beta)1,3-GalNac | Descriptor: | AGGLUTININ ALPHA CHAIN, AGGLUTININ BETA-4 CHAIN, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose | Authors: | Gabrielsen, M, Abdul-Rahman, P.S, Othman, S, Hashim, O.H, Cogdell, R.J. | Deposit date: | 2012-02-22 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures and Binding Specificity of Galactose- and Mannose-Binding Lectins from Champedak: Differences from Jackfruit Lectins Acta Crystallogr.,Sect.F, 70, 2014
|
|
7QZ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qz0 by Molmil](/molmil-images/mine/7qz0) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 83 | Descriptor: | 2-[4-(3-methyl-4-oxidanylidene-2,5,6,7-tetrahydroisoindol-1-yl)-1,3-thiazol-2-yl]guanidine, Bromodomain adjacent to zinc finger domain protein 2A, MAGNESIUM ION | Authors: | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | Deposit date: | 2022-01-30 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
|
|
7QZB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qzb by Molmil](/molmil-images/mine/7qzb) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 98 | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-1-[2-[4-[(4-methyl-1~{H}-pyrazol-3-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2,5,6,7-tetrahydroisoindol-4-one, Bromodomain adjacent to zinc finger domain protein 2A | Authors: | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | Deposit date: | 2022-01-31 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
|
|
7QYO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qyo by Molmil](/molmil-images/mine/7qyo) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 79 | Descriptor: | 1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A | Authors: | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | Deposit date: | 2022-01-28 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.983 Å) | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
|
|
7QZC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qzc by Molmil](/molmil-images/mine/7qzc) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 104 | Descriptor: | (2R)-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-[2-(1,2-oxazol-5-yl)ethyl]piperazine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A, MAGNESIUM ION | Authors: | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | Deposit date: | 2022-01-31 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
|
|
5X6F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5x6f by Molmil](/molmil-images/mine/5x6f) | |
4AK4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ak4 by Molmil](/molmil-images/mine/4ak4) | High resolution structure of Galactose Binding lectin from Champedak (CGB) | Descriptor: | AGGLUTININ ALPHA CHAIN, AGGLUTININ BETA-4 CHAIN, HEXAETHYLENE GLYCOL | Authors: | Gabrielsen, M, Abdul-Rahman, P.S, Othman, S, Hashim, O.H, Cogdell, R.J. | Deposit date: | 2012-02-21 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structures and Binding Specificity of Galactose- and Mannose-Binding Lectins from Champedak: Differences from Jackfruit Lectins Acta Crystallogr.,Sect.F, 70, 2014
|
|
3CZU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3czu by Molmil](/molmil-images/mine/3czu) | Crystal structure of the human ephrin A2- ephrin A1 complex | Descriptor: | Ephrin type-A receptor 2, Ephrin-A1, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Walker, J.R, Yermekbayeva, L, Seitova, A, Butler-Cole, C, Bountra, C, Wikstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-04-30 | Release date: | 2008-08-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Architecture of Eph receptor clusters. Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
4AKB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4akb by Molmil](/molmil-images/mine/4akb) | Structure of Galactose Binding lectin from Champedak (CGB) with Galactose | Descriptor: | AGGLUTININ ALPHA CHAIN, AGGLUTININ BETA-4 CHAIN, HEXAETHYLENE GLYCOL, ... | Authors: | Gabrielsen, M, Abdul-Rahman, P.S, Othman, S, Hashim, O.H, Cogdell, R.J. | Deposit date: | 2012-02-22 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structures and Binding Specificity of Galactose- and Mannose-Binding Lectins from Champedak: Differences from Jackfruit Lectins Acta Crystallogr.,Sect.F, 70, 2014
|
|
1IWE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1iwe by Molmil](/molmil-images/mine/1iwe) | IMP Complex of the Recombinant Mouse-Muscle Adenylosuccinate Synthetase | Descriptor: | ACETATE ION, Adenylosuccinate Synthetase, INOSINIC ACID, ... | Authors: | Iancu, C.V, Borza, T, Fromm, H.J, Honzatko, R.B. | Deposit date: | 2002-05-04 | Release date: | 2002-08-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | IMP, GTP, and 6-phosphoryl-IMP complexes of recombinant mouse muscle adenylosuccinate synthetase. J.Biol.Chem., 277, 2002
|
|
3EB1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3eb1 by Molmil](/molmil-images/mine/3eb1) | Crystal structure PTP1B complex with small molecule inhibitor LZP-25 | Descriptor: | 4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Liu, S, Zheng, L.-F, Wu, L, Yu, X, Xue, T, Gunawan, A.M, Long, Y.-Q, Zhang, Z.-Y. | Deposit date: | 2008-08-26 | Release date: | 2009-07-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Targeting inactive enzyme conformation: aryl diketoacid derivatives as a new class of PTP1B inhibitors. J.Am.Chem.Soc., 130, 2008
|
|
1BEU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1beu by Molmil](/molmil-images/mine/1beu) | TRP SYNTHASE (D60N-IPP-SER) WITH K+ | Descriptor: | INDOLE-3-PROPANOL PHOSPHATE, POTASSIUM ION, TRYPTOPHAN SYNTHASE, ... | Authors: | Rhee, S, Mozzarelli, A, Miles, E.W, Davies, D.R. | Deposit date: | 1998-05-18 | Release date: | 1998-08-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cryocrystallography and microspectrophotometry of a mutant (alpha D60N) tryptophan synthase alpha 2 beta 2 complex reveals allosteric roles of alpha Asp60. Biochemistry, 37, 1998
|
|
3NIF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nif by Molmil](/molmil-images/mine/3nif) | The Closed Headpiece of Integrin IIb 3 and its Complex with an IIb 3 -Specific Antagonist That Does Not Induce Opening | 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-ethyl-7-piperazin-1-yl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one, ... | Authors: | Zhu, J.H, Zhu, J.Q, Springer, T.A. | Deposit date: | 2010-06-15 | Release date: | 2010-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Closed headpiece of integrin {alpha}IIb{beta}3 and its complex with an {alpha}IIb{beta}3-specific antagonist that does not induce opening. Blood, 116, 2010
|
|