7QAA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qaa by Molmil](/molmil-images/mine/7qaa) | Crystal structure of RARalpha/RXRalpha ligand binding domain heterodimer in complex with BMS614 and oleic acid | Descriptor: | 4-[(4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-[1,2']BINAPTHALENYL-7-CARBONYL)-AMINO]-BENZOIC ACID, Isoform Alpha-1-deltaBC of Retinoic acid receptor alpha, OLEIC ACID, ... | Authors: | le Maire, A, Vivat, V, Guee, L, Blanc, P, Malosse, C, Chamot-Rooke, J, Germain, P, Bourguet, w. | Deposit date: | 2021-11-16 | Release date: | 2022-10-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Design and in vitro characterization of RXR variants as tools to investigate the biological role of endogenous rexinoids. J.Mol.Endocrinol., 69, 2022
|
|
3KMR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kmr by Molmil](/molmil-images/mine/3kmr) | Crystal structure of RARalpha ligand binding domain in complex with an agonist ligand (Am580) and a coactivator fragment | Descriptor: | 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, Nuclear receptor coactivator 1, Retinoic acid receptor alpha | Authors: | Bourguet, W, Teyssier, C. | Deposit date: | 2009-11-11 | Release date: | 2010-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A unique secondary-structure switch controls constitutive gene repression by retinoic acid receptor. Nat.Struct.Mol.Biol., 17, 2010
|
|
3KMZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kmz by Molmil](/molmil-images/mine/3kmz) | Crystal structure of RARalpha ligand binding domain in complex with the inverse agonist BMS493 and a corepressor fragment | Descriptor: | 4-{(E)-2-[5,5-dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl}benzoic acid, GLYCEROL, Nuclear receptor corepressor 1, ... | Authors: | Bourguet, W, le Maire, A. | Deposit date: | 2009-11-11 | Release date: | 2010-06-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A unique secondary-structure switch controls constitutive gene repression by retinoic acid receptor. Nat.Struct.Mol.Biol., 17, 2010
|
|
1DKF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1dkf by Molmil](/molmil-images/mine/1dkf) | CRYSTAL STRUCTURE OF A HETERODIMERIC COMPLEX OF RAR AND RXR LIGAND-BINDING DOMAINS | Descriptor: | 4-[(4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-[1,2']BINAPTHALENYL-7-CARBONYL)-AMINO]-BENZOIC ACID, OLEIC ACID, PROTEIN (RETINOIC ACID RECEPTOR-ALPHA), ... | Authors: | Bourguet, W, Vivat, V, Wurtz, J.M, Chambon, P, Gronemeyer, H, Moras, D, Structural Proteomics in Europe (SPINE) | Deposit date: | 1999-12-07 | Release date: | 2000-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of a heterodimeric complex of RAR and RXR ligand-binding domains. Mol.Cell, 5, 2000
|
|
8S9E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8s9e by Molmil](/molmil-images/mine/8s9e) | Solution structure of jarastatin (rJast), a disintegrin from Bothrops jararaca | Descriptor: | Disintegrin jarastatin | Authors: | Vasconcelos, A.A, Estrada, J.E.C, Zingali, R.B, Almeida, F.C.L. | Deposit date: | 2023-03-28 | Release date: | 2023-11-29 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Toward the mechanism of jarastatin (rJast) inhibition of the integrin alpha V beta 3. Int.J.Biol.Macromol., 255, 2024
|
|
3PMZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pmz by Molmil](/molmil-images/mine/3pmz) | Crystal Structure of the Complex of Acetylcholine Binding Protein and d-tubocurarine | Descriptor: | (1beta,1'alpha)-7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium, MAGNESIUM ION, Soluble acetylcholine receptor | Authors: | Talley, T.T, Harel, M, Yamauchi, J.G, Radic, Z, Hansen, S, Huxford, T, Taylor, P.W. | Deposit date: | 2010-11-18 | Release date: | 2011-10-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | The Curare Alkaloids: Analyzing the Poses of Complexes with the Acetylcholine Binding Protein in Relation to Structure and Binding Energies To be Published
|
|
3PEO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3peo by Molmil](/molmil-images/mine/3peo) | Crystal structure of acetylcholine binding protein complexed with metocurine | Descriptor: | 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium, Soluble acetylcholine receptor | Authors: | Talley, T.T, Harel, M, Yamauchi, G.J, Radic, Z, Hansen, S, Huxford, T, Taylor, P.W. | Deposit date: | 2010-10-27 | Release date: | 2011-10-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The curare alkaloids: analyzing the poses of complexes with the acetylcholine binding protein in relation to structure and binding energetics To be Published
|
|
5LGM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lgm by Molmil](/molmil-images/mine/5lgm) | Gp5.7 mutant L42A | Descriptor: | Fusion protein 5.5/5.7 | Authors: | Liu, B, Matthews, S. | Deposit date: | 2016-07-07 | Release date: | 2017-08-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Gp5.7 mutant L42A to be published
|
|
6QU7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qu7 by Molmil](/molmil-images/mine/6qu7) | Crystal structure of human DHODH in complex with BAY 2402234 | Descriptor: | ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Friberg, A, Gradl, S. | Deposit date: | 2019-02-26 | Release date: | 2019-06-05 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | The novel dihydroorotate dehydrogenase (DHODH) inhibitor BAY 2402234 triggers differentiation and is effective in the treatment of myeloid malignancies. Leukemia, 33, 2019
|
|
5WOF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wof by Molmil](/molmil-images/mine/5wof) | 1.65 ANGSTROM STRUCTURE OF THE DYNEIN LIGHT CHAIN 1 FROM PLASMODIUM FALCIPARUM | Descriptor: | Dynein light chain 1, putative | Authors: | Walker, J.R, Lew, J, Amani, M, Alam, Z, Wasney, G, Boulanger, K, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Hui, R, Botchkarev, A, Vedadi, M, Structural Genomics Consortium (SGC) | Deposit date: | 2017-08-02 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Genome-scale Protein Expression and Structural Biology of
Plasmodium Falciparum and Related Apicomplexan Organisms. MOL.BIOCHEM.PARASITOL., 151, 2007
|
|
2OQD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2oqd by Molmil](/molmil-images/mine/2oqd) | Crystal Structure of BthTX-II | Descriptor: | Phospholipase A2 | Authors: | Correa, L.C, Marchi-Salvador, D.P, Cintra, A.C.O, Soares, A.M, Fontes, M.R.M. | Deposit date: | 2007-01-31 | Release date: | 2008-02-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Crystal structure of a myotoxic Asp49-phospholipase A(2) with low catalytic activity: Insights into Ca(2+)-independent catalytic mechanism. Biochim.Biophys.Acta, 1784, 2008
|
|
3HZD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hzd by Molmil](/molmil-images/mine/3hzd) | Crystal structure of bothropstoxin-I (BthTX-I), a PLA2 homologue from Bothrops jararacussu venom | Descriptor: | LITHIUM ION, Phospholipase A2 homolog bothropstoxin-1 | Authors: | Silva, M.C.O, Marchi-Salvador, D.P, Fernandes, C.A.H, Soares, A.M, Fontes, M.R.M. | Deposit date: | 2009-06-23 | Release date: | 2009-07-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Comparison between apo and complexed structures of bothropstoxin-I reveals the role of Lys122 and Ca(2+)-binding loop region for the catalytically inactive Lys49-PLA(2)s. J.Struct.Biol., 171, 2010
|
|
1FVU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fvu by Molmil](/molmil-images/mine/1fvu) | CRYSTAL STRUCTURE OF BOTROCETIN | Descriptor: | BOTROCETIN ALPHA CHAIN, BOTROCETIN BETA CHAIN, MAGNESIUM ION | Authors: | Sen, U, Vasudevan, S, Subbarao, G, McClintoc, R.A, Celikel, R, Ruggeri, Z.M, Varughese, K.I. | Deposit date: | 2000-09-20 | Release date: | 2001-02-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the von Willebrand factor modulator botrocetin. Biochemistry, 40, 2001
|
|
6APX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6apx by Molmil](/molmil-images/mine/6apx) | Crystal structure of human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the monobody YSX1 | Descriptor: | GLYCEROL, Maltose-binding periplasmic protein,Dual specificity protein phosphatase 1, Monobody YSX1, ... | Authors: | Gumpena, R, Lountos, G.T, Sreejith, R.K, Tropea, J.E, Cherry, S, Waugh, D.S. | Deposit date: | 2017-08-18 | Release date: | 2017-11-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.491 Å) | Cite: | Crystal structure of the human dual specificity phosphatase 1 catalytic domain. Protein Sci., 27, 2018
|
|
3JR8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3jr8 by Molmil](/molmil-images/mine/3jr8) | Crystal Structure of BthTX-II (Asp49-PLA2 from Bothrops jararacussu snake venom) with calcium ions | Descriptor: | CALCIUM ION, Phospholipase A2 bothropstoxin-2 | Authors: | Borges, R.J, dos Santos, J.I, Fontes, M.R.M. | Deposit date: | 2009-09-08 | Release date: | 2010-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural, functional, and bioinformatics studies reveal a new snake venom homologue phospholipase A2 class. Proteins, 79, 2011
|
|
5T19
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5t19 by Molmil](/molmil-images/mine/5t19) | Structure of PTP1B complexed with N-(3'-(1,1-dioxido-4-oxo-1,2,5-thiadiazolidin-2-yl)-4'-methyl-[1,1'-biphenyl]-4-yl)acetamide | Descriptor: | 5-[4-methyl-4'-(methylamino)[1,1'-biphenyl]-3-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Laciak, A.R, Tanner, J.J. | Deposit date: | 2016-08-18 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1001 Å) | Cite: | Covalent Allosteric Inactivation of Protein Tyrosine Phosphatase 1B (PTP1B) by an Inhibitor-Electrophile Conjugate. Biochemistry, 56, 2017
|
|
5YC9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yc9 by Molmil](/molmil-images/mine/5yc9) | |
4Q1L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q1l by Molmil](/molmil-images/mine/4q1l) | Crystal structure of Leucurolysin-a complexed with an endogenous tripeptide (QSW). | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Ferreira, R.N, Sanchez, E.O.F, Pimenta, A.M.C, Nagem, R.A.P. | Deposit date: | 2014-04-03 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of Leucurolysin-a complexed with an endogenous tripeptide (QSW). To be Published
|
|
7ROX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rox by Molmil](/molmil-images/mine/7rox) | BthTX-I complexed with inhibitor MMV | Descriptor: | 12-methoxy-Nb-methylvoachalotine, Basic phospholipase A2 homolog bothropstoxin-I | Authors: | Borges, R.J, De Marino, I, Uson, I, Fontes, M.R.M. | Deposit date: | 2021-08-02 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and functional studies of a snake venom phospholipase A 2 -like protein complexed to an inhibitor from Tabernaemontana catharinensis. Biochimie, 206, 2023
|
|
5O79
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o79 by Molmil](/molmil-images/mine/5o79) | Klebsiella pneumoniae OmpK36 | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MAGNESIUM ION, OmpK36 | Authors: | van den berg, B, Pathania, M. | Deposit date: | 2017-06-08 | Release date: | 2018-06-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Getting Drugs into Gram-Negative Bacteria: Rational Rules for Permeation through General Porins. Acs Infect Dis., 4, 2018
|
|
4GW8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gw8 by Molmil](/molmil-images/mine/4gw8) | Human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and Leucettine L41 | Descriptor: | 1,2-ETHANEDIOL, 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, Consensus peptide (Pimtide), ... | Authors: | Filippakopoulos, P, Bullock, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Meijer, L, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2012-09-01 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Selectivity, cocrystal structures, and neuroprotective properties of leucettines, a family of protein kinase inhibitors derived from the marine sponge alkaloid leucettamine B. J.Med.Chem., 55, 2012
|
|
5OHI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ohi by Molmil](/molmil-images/mine/5ohi) | Crystal structure of autotaxin in complex with BI-2545 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15-PENTAOXAHEPTADECANE, CALCIUM ION, ... | Authors: | Hoerer, S. | Deposit date: | 2017-07-17 | Release date: | 2018-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Discovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo. ACS Med Chem Lett, 8, 2017
|
|
5OLB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5olb by Molmil](/molmil-images/mine/5olb) | crystal structure of autotaxin in complex with PF-8380 | Descriptor: | (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Hoerer, S, Lammens, A. | Deposit date: | 2017-07-27 | Release date: | 2018-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Discovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo. ACS Med Chem Lett, 8, 2017
|
|
3PGG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pgg by Molmil](/molmil-images/mine/3pgg) | Crystal structure of cryptosporidium parvum u6 snrna-associated sm-like protein lsm5 | Descriptor: | U6 snRNA-associated Sm-like protein LSm5. SM domain | Authors: | Dong, A, Gao, M, Zhao, Y, Lew, J, Wasney, G.A, Kozieradzki, I, Vedadi, M, Edwards, A, Arrowsmith, C, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J, Structural Genomics Consortium (SGC) | Deposit date: | 2010-11-01 | Release date: | 2011-02-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Genome-Scale Protein Expression and Structural Biology of Plasmodium Falciparum and Related Apicomplexan Organisms. Mol.Biochem.Parasitol., 151, 2007
|
|
7KPT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kpt by Molmil](/molmil-images/mine/7kpt) | Crystal structure of CtdE in complex with FAD and substrate 4 | Descriptor: | (6aR,7aS,11S,13aS)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5H,13H-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Zhao, B, Hu, L. | Deposit date: | 2020-11-12 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins. Nat Commun, 12, 2021
|
|