3DCQ
 
 | | LECB (PA-LII) in complex with the synthetic ligand 2G0 | | Descriptor: | (2S)-1-[(2S)-6-amino-2-({[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]acetyl}amino)hexanoyl]-N-[(1S)-1-carbamoyl-3-methylbutyl]pyrrolidine-2-carboxamide, CALCIUM ION, Fucose-binding lectin PA-IIL | | Authors: | Johansson, E.M, Crusz, S.A, Kolomiets, E, Buts, L, Kadam, R.U, Cacciarini, M, Bartels, K.M, Diggle, S.P, Camara, M, Williams, P, Loris, R, Nativi, C, Rosenau, F, Jaeger, K.E, Darbre, T, Reymond, J.L. | | Deposit date: | 2008-06-04 | | Release date: | 2009-01-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Inhibition and dispersion of Pseudomonas aeruginosa biofilms by glycopeptide dendrimers targeting the fucose-specific lectin LecB.
Chem.Biol., 15, 2008
|
|
6O16
 | | Crystal structure of murine DHX37 in complex with RNA | | Descriptor: | DEAH (Asp-Glu-Ala-His) box polypeptide 37, RNA (5'-R(*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3') | | Authors: | Boneberg, F, Brandmann, T, Kobel, L, van den Heuvel, J, Bargsten, K, Bammert, L, Kutay, U, Jinek, M. | | Deposit date: | 2019-02-18 | | Release date: | 2019-04-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.875 Å) | | Cite: | Molecular mechanism of the RNA helicase DHX37 and its activation by UTP14A in ribosome biogenesis.
Rna, 25, 2019
|
|
4O2A
 | | Tubulin-BAL27862 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-{1-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl}-1,2,5-oxadiazol-3-yl)amino]propanenitrile, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Prota, A.E, Franck, D, Bachmann, F, Bargsten, K, Buey, R.M, Pohlmann, J, Reinelt, S, Lane, H, Steinmetz, M.O. | | Deposit date: | 2013-12-17 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Novel Microtubule-Destabilizing Drug BAL27862 Binds to the Colchicine Site of Tubulin with Distinct Effects on Microtubule Organization.
J.Mol.Biol., 426, 2014
|
|
4CKJ
 | | Crystal structure of RET tyrosine kinase domain bound to adenosine | | Descriptor: | ADENOSINE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET | | Authors: | Plaza-Menacho, I, Barnouin, K, Goodman, K, Martinez-Torres, R.J, Borg, A, Murray-Rust, J, Mouilleron, S, Knowles, P, McDonald, N.Q. | | Deposit date: | 2014-01-06 | | Release date: | 2014-03-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Oncogenic RET kinase domain mutations perturb the autophosphorylation trajectory by enhancing substrate presentation in trans.
Mol. Cell, 53, 2014
|
|
4CKI
 | | Crystal Structure of oncogenic RET tyrosine kinase M918T bound to adenosine | | Descriptor: | ADENOSINE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET | | Authors: | Plaza-Menacho, I, Barnouin, K, Goodman, K, Martinez-Torres, R.J, Borg, A, Murray-Rust, J, Mouilleron, S, Knowles, P, McDonald, N.Q. | | Deposit date: | 2014-01-06 | | Release date: | 2014-03-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.116 Å) | | Cite: | Oncogenic RET kinase domain mutations perturb the autophosphorylation trajectory by enhancing substrate presentation in trans.
Mol. Cell, 53, 2014
|
|
4O2B
 | | Tubulin-Colchicine complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Prota, A.E, Franck, D, Bachmann, F, Bargsten, K, Buey, R.M, Pohlmann, J, Reinelt, S, Lane, H, Steinmetz, M.O. | | Deposit date: | 2013-12-17 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Novel Microtubule-Destabilizing Drug BAL27862 Binds to the Colchicine Site of Tubulin with Distinct Effects on Microtubule Organization.
J.Mol.Biol., 426, 2014
|
|
5A3I
 | | Crystal Structure of a Complex formed between FLD194 Fab and Transmissible Mutant H5 Haemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANTI-HAEMAGGLUTININ HA1 FAB HEAVY CHAIN, ... | | Authors: | Xiong, X, Corti, D, Liu, J, Pinna, D, Foglierini, M, Calder, L.J, Martin, S.R, Lin, Y.P, Walker, P.A, Collins, P.J, Monne, I, Suguitan Jr, A.L, Santos, C, Temperton, N.J, Subbarao, K, Lanzavecchia, A, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2015-06-01 | | Release date: | 2015-07-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Structures of Complexes Formed by H5 Influenza Hemagglutinin with a Potent Broadly Neutralizing Human Monoclonal Antibody.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
1YGC
 | | Short Factor VIIa with a small molecule inhibitor | | Descriptor: | (R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)-1-(3,5-DIETHOXY-2-FLUOROPHENYL)-2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINE, CALCIUM ION, Coagulation factor VII, ... | | Authors: | Olivero, A.G, Eigenbrot, C, Goldsmith, R, Robarge, K, Artis, D.R, Flygare, J, Rawson, T, Refino, C, Bunting, S, Kirchhofer, D. | | Deposit date: | 2005-01-04 | | Release date: | 2005-01-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A selective, slow binding inhibitor of factor VIIa binds to a nonstandard active site conformation and attenuates thrombus formation in vivo.
J.Biol.Chem., 280, 2005
|
|
2AI8
 | | E.coli Polypeptide Deformylase complexed with SB-485343 | | Descriptor: | NICKEL (II) ION, Peptide deformylase, [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | | Authors: | Smith, K.J, Petit, C.M, Aubart, K, Smyth, M, McManus, E, Jones, J, Fosberry, A, Lewis, C, Lonetto, M, Christensen, S.B. | | Deposit date: | 2005-07-29 | | Release date: | 2005-09-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Variation and inhibitor binding in polypeptide deformylase from four different bacterial species.
Protein Sci., 12, 2003
|
|
4N5B
 | | Crystal structure of the Nipah virus phosphoprotein tetramerization domain | | Descriptor: | IMIDAZOLE, Phosphoprotein | | Authors: | Bruhn, J.F, Barnett, K, Bibby, J, Thomas, J, Keegan, R, Rigden, D, Bornholdt, Z.A, Saphire, E.O. | | Deposit date: | 2013-10-09 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the nipah virus phosphoprotein tetramerization domain.
J.Virol., 88, 2014
|
|
4BM7
 | | Crystal Structure of IgG Fc F241A mutant with native glycosylation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, IG GAMMA-1 CHAIN C REGION | | Authors: | Yu, X, Baruah, K, Harvey, D.J, Vasiljevic, S, Alonzi, D.S, Song, B, Higgins, M.K, Bowden, T.A, Crispin, M, Scanlan, C.N. | | Deposit date: | 2013-05-07 | | Release date: | 2013-07-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Engineering Hydrophobic Protein-Carbohydrate Interactions to Fine-Tune Monoclonal Antibodies.
J.Am.Chem.Soc., 135, 2013
|
|
2AI9
 | | S.aureus Polypeptide Deformylase | | Descriptor: | NICKEL (II) ION, Peptide deformylase, SULFATE ION | | Authors: | Smith, K.J, Petit, C.M, Aubart, K, Smyth, M, McManus, E, Jones, J, Fosberry, A, Lewis, C, Lonetto, M, Christensen, S.B. | | Deposit date: | 2005-07-29 | | Release date: | 2005-09-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Variation and inhibitor binding in polypeptide deformylase from four different bacterial species.
Protein Sci., 12, 2003
|
|
2AIA
 | | S.pneumoniae PDF complexed with SB-543668 | | Descriptor: | 2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE, NICKEL (II) ION, Peptide deformylase, ... | | Authors: | Smith, K.J, Petit, C.M, Aubart, K, Smyth, M, McManus, E, Jones, J, Fosberry, A, Lewis, C, Lonetto, M, Christensen, S.B. | | Deposit date: | 2005-07-29 | | Release date: | 2005-09-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Variation and inhibitor binding in polypeptide deformylase from four different bacterial species.
Protein Sci., 12, 2003
|
|
2AIE
 | | S.pneumoniae polypeptide deformylase complexed with SB-505684 | | Descriptor: | HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE, NICKEL (II) ION, Peptide deformylase, ... | | Authors: | Smith, K.J, Petit, C.M, Aubart, K, Smyth, M, McManus, E, Jones, J, Fosberry, A, Lewis, C, Lonetto, M, Christensen, S.B. | | Deposit date: | 2005-07-29 | | Release date: | 2005-09-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Variation and inhibitor binding in polypeptide deformylase from four different bacterial species
Protein Sci., 12, 2003
|
|
4GVJ
 | | Tyk2 (JH1) in complex with adenosine di-phosphate | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Liang, J, Abbema, A.V, Bao, L, Barrett, K, Beresini, M, Berezhkovskiy, L, Blair, W, Chang, C, Driscoll, J, Eigenbrot, C, Ghilardi, N, Gibbons, P, Halladay, J, Johnson, A, Kohli, P.B, Lai, Y, Liimatta, M, Mantik, P, Menghrajani, K, Murray, J, Sambrone, A, Shao, Y, Shia, S, Shin, Y, Smith, J, Sohn, S, Stanley, M, Tsui, V, Ultsch, M, Wu, L, Zhang, B, Magnuson, S. | | Deposit date: | 2012-08-30 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
|
|
2AI7
 | | S.pneumoniae Polypeptide Deformylase complexed with SB-485345 | | Descriptor: | NICKEL (II) ION, Peptide deformylase, SULFATE ION, ... | | Authors: | Smith, K.J, Petit, C.M, Aubart, K, Smyth, M, McManus, E, Jones, J, Fosberry, A, Lewis, C, Lonetto, M, Christensen, S.B. | | Deposit date: | 2005-07-29 | | Release date: | 2005-09-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Variation and inhibitor binding in polypeptide deformylase from four different bacterial species
Protein Sci., 12, 2003
|
|
4IHJ
 | | Crystal structure of tubulin-stathmin-TTL-ADP complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | | Authors: | Prota, A.E, Magiera, M.M, Kuijpers, M, Bargsten, K, Frey, D, Wieser, M, Jaussi, R, Hoogenraad, C.C, Kammerer, R.A, Janke, C, Steinmetz, M.O. | | Deposit date: | 2012-12-18 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of tubulin tyrosination by tubulin tyrosine ligase.
J.Cell Biol., 200, 2013
|
|
4IIJ
 | | Crystal structure of tubulin-stathmin-TTL-apo complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Prota, A.E, Magiera, M.M, Kuijpers, M, Bargsten, K, Frey, D, Wieser, M, Jaussi, R, Hoogenraad, C.C, Kammerer, R.A, Janke, C, Steinmetz, M.O. | | Deposit date: | 2012-12-20 | | Release date: | 2013-01-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis of tubulin tyrosination by tubulin tyrosine ligase.
J.Cell Biol., 200, 2013
|
|
3DB6
 | | Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 902 | | Descriptor: | 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea, Polo-like kinase 1 | | Authors: | Elling, R.A, Fucini, R.V, Zhu, J, Barr, K.J, Romanowski, M.J. | | Deposit date: | 2008-05-30 | | Release date: | 2008-08-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structure of the Brachydanio rerio Polo-like kinase 1 (Plk1) catalytic domain in complex with an extended inhibitor targeting the adaptive pocket of the enzyme.
Acta Crystallogr.,Sect.F, 64, 2008
|
|
4LMQ
 | | Development and Preclinical Characterization of a Humanized Antibody Targeting CXCL12 | | Descriptor: | Stromal cell-derived factor 1, hu30D8 Fab heavy chain, hu30D8 Fab light chain | | Authors: | Zhong, Z, Wang, J, Li, B, Xiang, H, Ultsch, M, Coons, M, Wong, T, Chiang, N.Y, Clark, S, Clark, R, Quintana, L, Gribling, P, Suto, E, Barck, K, Corpuz, R, Yao, J, Takkar, R, Lee, W.P, Damico-Beyer, L.A, Carano, R.D, Adams, C, Kelley, R.F, Wang, W, Ferrara, N. | | Deposit date: | 2013-07-10 | | Release date: | 2013-08-14 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.773 Å) | | Cite: | Development and Preclinical Characterization of a Humanized Antibody Targeting CXCL12.
Clin.Cancer Res., 19, 2013
|
|
1T4J
 | | Allosteric Inhibition of Protein Tyrosine Phosphatase 1B | | Descriptor: | 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE, Protein-tyrosine phosphatase, non-receptor type 1 | | Authors: | Wiesmann, C, Barr, K.J, Kung, J, Zhu, J, Shen, W, Fahr, B.J, Zhong, M, Taylor, L, Randal, M, McDowell, R.S, Hansen, S.K. | | Deposit date: | 2004-04-29 | | Release date: | 2004-07-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Allosteric inhibition of protein tyrosine phosphatase 1B
Nat.Struct.Mol.Biol., 11, 2004
|
|
1T48
 | | Allosteric Inhibition of Protein Tyrosine Phosphatase 1B | | Descriptor: | 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID DIMETHYLAMIDE, Protein-tyrosine phosphatase, non-receptor type 1 | | Authors: | Wiesmann, C, Barr, K.J, Kung, J, Zhu, J, Shen, W, Fahr, B.J, Zhong, M, Erlanson, D.A, Taylor, L, Randal, M, McDowell, R.S, Hansen, S.K. | | Deposit date: | 2004-04-28 | | Release date: | 2004-07-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Allosteric inhibition of protein tyrosine phosphatase 1B
Nat.Struct.Mol.Biol., 11, 2004
|
|
1T49
 | | Allosteric Inhibition of Protein Tyrosine Phosphatase 1B | | Descriptor: | 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID (4-SULFAMOYL-PHENYL)-AMIDE, MAGNESIUM ION, Protein-tyrosine phosphatase, ... | | Authors: | Wiesmann, C, Barr, K.J, Kung, J, Zhu, J, Shen, W, Fahr, B.J, Zhong, M, Taylor, L, Randal, M, McDowell, R.S, Hansen, S.K. | | Deposit date: | 2004-04-28 | | Release date: | 2004-07-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Allosteric inhibition of protein tyrosine phosphatase 1B.
Nat.Struct.Mol.Biol., 11, 2004
|
|
2X9V
 | | High resolution structure of TbPTR1 with trimetrexate | | Descriptor: | ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE, ... | | Authors: | Dawson, A, Tulloch, L.B, Barrack, K.L, Hunter, W.N. | | Deposit date: | 2010-03-24 | | Release date: | 2010-06-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | High-Resolution Structures of Trypanosoma Brucei Pteridine Reductase Ligand Complexes Inform on the Placement of New Molecular Entities in the Active Site of a Potential Drug Target
Acta Crystallogr.,Sect.D, 66, 2010
|
|
2X9N
 | | High resolution structure of TbPTR1 in complex with cyromazine | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, ACETATE ION, DITHIANE DIOL, ... | | Authors: | Dawson, A, Tulloch, L.B, Barrack, K.L, Hunter, W.N. | | Deposit date: | 2010-03-23 | | Release date: | 2010-06-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | High-Resolution Structures of Trypanosoma Brucei Pteridine Reductase Ligand Complexes Inform on the Placement of New Molecular Entities in the Active Site of a Potential Drug Target
Acta Crystallogr.,Sect.D, 66, 2010
|
|
