6Z7D
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![BU of 6z7d by Molmil](/molmil-images/mine/6z7d) | Variant Surface Glycoprotein VSGsur mutant H122A soaked in 0.77 mM Suramin. | Descriptor: | Variant surface glycoprotein Sur, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | Deposit date: | 2020-05-30 | Release date: | 2021-03-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of trypanosome coat protein VSGsur and function in suramin resistance. Nat Microbiol, 6, 2021
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8RLN
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![BU of 8rln by Molmil](/molmil-images/mine/8rln) | Crystal structure of human adenosine A2A receptor (construct A2A-PSB2-bRIL) complexed with the partial antagonist LUF5834 at the orthosteric pocket | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-azanyl-4-(4-hydroxyphenyl)-6-(1~{H}-imidazol-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile, ... | Authors: | Strater, N, Claff, T, Weisse, R.H, Muller, C.E. | Deposit date: | 2024-01-03 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structural Insights into Partial Activation of the Prototypic G Protein-Coupled Adenosine A 2A Receptor. Acs Pharmacol Transl Sci, 7, 2024
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6Z79
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![BU of 6z79 by Molmil](/molmil-images/mine/6z79) | Variant Surface Glycoprotein VSGsur, I3C ("Magic Triangle") derivative used for phasing of the structure and subsequently as a model for molecular replacement of native, mutants, and drug soaks. | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Variant surface glycoprotein Sur, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | Deposit date: | 2020-05-30 | Release date: | 2021-03-17 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure of trypanosome coat protein VSGsur and function in suramin resistance. Nat Microbiol, 6, 2021
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6Z8H
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![BU of 6z8h by Molmil](/molmil-images/mine/6z8h) | Crystal structure of Variant Surface Glycoprotein VSG13 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Variant surface glycoprotein MITat 1.13, ... | Authors: | Stebbins, C.E, Hempelmann, A, Van Straaten, M, Zeelen, J. | Deposit date: | 2020-06-02 | Release date: | 2021-03-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Structure of trypanosome coat protein VSGsur and function in suramin resistance. Nat Microbiol, 6, 2021
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8SC9
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![BU of 8sc9 by Molmil](/molmil-images/mine/8sc9) | Structure of PPARG in complex with MTX-531 | Descriptor: | N-[(5P)-2-chloro-5-(4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)pyridin-3-yl]methanesulfonamide, Peroxisome proliferator-activated receptor gamma, SULFATE ION, ... | Authors: | Whitehead, C.E, Leopold, J. | Deposit date: | 2023-04-05 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.855 Å) | Cite: | Structure of PPARG in complex with MTX-531 To Be Published
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8SC8
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![BU of 8sc8 by Molmil](/molmil-images/mine/8sc8) | Structure of PI3KG in complex with MTX-531 | Descriptor: | N-[(5P)-2-chloro-5-(4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)pyridin-3-yl]methanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whitehead, C.E, Leopold, J. | Deposit date: | 2023-04-05 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.687 Å) | Cite: | Structure of PI3KG in complex with MTX-531 To Be Published
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8SC7
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![BU of 8sc7 by Molmil](/molmil-images/mine/8sc7) | |
3B5R
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![BU of 3b5r by Molmil](/molmil-images/mine/3b5r) | |
3B66
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![BU of 3b66 by Molmil](/molmil-images/mine/3b66) | Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-21 | Descriptor: | 4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile, Androgen receptor | Authors: | Bohl, C.E, Miller, D.D, Dalton, J.T. | Deposit date: | 2007-10-27 | Release date: | 2008-09-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators Bioorg.Med.Chem.Lett., 18, 2008
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3B67
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3B65
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![BU of 3b65 by Molmil](/molmil-images/mine/3b65) | |
3B68
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7Y8G
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![BU of 7y8g by Molmil](/molmil-images/mine/7y8g) | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30a and GRIP Peptide | Descriptor: | DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ... | Authors: | Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-23 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structure-guided identification of novel dual-targeting estrogen receptor alpha degraders with aromatase inhibitory activity for the treatment of endocrine-resistant breast cancer. Eur.J.Med.Chem., 253, 2023
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7Y8F
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![BU of 7y8f by Molmil](/molmil-images/mine/7y8f) | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30o and GRIP Peptide | Descriptor: | DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ... | Authors: | Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-23 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structure-guided identification of novel dual-targeting estrogen receptor alpha degraders with aromatase inhibitory activity for the treatment of endocrine-resistant breast cancer. Eur.J.Med.Chem., 253, 2023
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2XEY
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![BU of 2xey by Molmil](/molmil-images/mine/2xey) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | 3-(1H-INDOL-3-YL)-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, van Montfort, R, Garrett, M.D, Reader, J.C, Collins, I. | Deposit date: | 2010-05-19 | Release date: | 2010-06-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases. Bioorg.Med.Chem.Lett., 20, 2010
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2XF0
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![BU of 2xf0 by Molmil](/molmil-images/mine/2xf0) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | 1,2-ETHANEDIOL, 3-PHENYL-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, van Montfort, R, Garrett, M.D, Reader, J.C, Collins, I. | Deposit date: | 2010-05-19 | Release date: | 2010-06-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases. Bioorg.Med.Chem.Lett., 20, 2010
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2XSZ
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![BU of 2xsz by Molmil](/molmil-images/mine/2xsz) | The dodecameric human RuvBL1:RuvBL2 complex with truncated domains II | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, RUVB-LIKE 1, RUVB-LIKE 2 | Authors: | Gorynia, S, Bandeiras, T.M, Matias, P.M, Pinho, F.G, McVey, C.E, Vonrhein, C, Svergun, D.I, Round, A, Donner, P, Carrondo, M.A. | Deposit date: | 2010-10-01 | Release date: | 2011-10-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and Functional Insights Into a Dodecameric Molecular Machine - the Ruvbl1/Ruvbl2 Complex. J.Struct.Biol., 176, 2011
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2Y3F
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![BU of 2y3f by Molmil](/molmil-images/mine/2y3f) | Traptavidin, biotin bound form | Descriptor: | BIOTIN, GLYCEROL, STREPTAVIDIN | Authors: | Chivers, C.E, Koner, A.L, Lowe, E.D, Howarth, M. | Deposit date: | 2010-12-20 | Release date: | 2011-02-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.493 Å) | Cite: | How the Biotin-Streptavidin Interaction Was Made Even Stronger: Investigation Via Crystallography and a Chimeric Tetramer. Biochem.J., 435, 2011
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8T4O
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![BU of 8t4o by Molmil](/molmil-images/mine/8t4o) | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF347 inhibitor with no glutamate | Descriptor: | 4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoic acid, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], Serine hydroxymethyltransferase, ... | Authors: | Katinas, J.M, Dann III, C.E. | Deposit date: | 2023-06-09 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2. Biochemistry, 2024
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8TLC
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![BU of 8tlc by Molmil](/molmil-images/mine/8tlc) | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and tri-glutamate AGF347 inhibitor | Descriptor: | N-{4-[4-(2-amino-4-oxo-1,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-D-gamma-glutamyl-L-gamma-glutamyl-D-glutamic acid, Serine hydroxymethyltransferase, mitochondrial | Authors: | Katinas, J.M, Dann III, C.E. | Deposit date: | 2023-07-26 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2. Biochemistry, 2024
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8T4P
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![BU of 8t4p by Molmil](/molmil-images/mine/8t4p) | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and di-glutamate AGF347 inhibitor | Descriptor: | N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-gamma-glutamyl-L-glutamic acid, Serine hydroxymethyltransferase, ... | Authors: | Katinas, J.M, Dann III, C.E. | Deposit date: | 2023-06-09 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2. Biochemistry, 2024
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4CBC
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![BU of 4cbc by Molmil](/molmil-images/mine/4cbc) | |
3LYM
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![BU of 3lym by Molmil](/molmil-images/mine/3lym) | |
3NUL
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![BU of 3nul by Molmil](/molmil-images/mine/3nul) | Profilin I from Arabidopsis thaliana | Descriptor: | GLYCEROL, PROFILIN I, SULFATE ION | Authors: | Thorn, K, Christensen, H.E.M, Shigeta, R, Huddler, D, Chua, N.-H, Shalaby, L, Lindberg, U, Schutt, C.E. | Deposit date: | 1996-11-27 | Release date: | 1997-12-03 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The crystal structure of a major allergen from plants. Structure, 5, 1997
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3ZRE
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![BU of 3zre by Molmil](/molmil-images/mine/3zre) | Reduced Thiol peroxidase (Tpx) from yersinia Pseudotuberculosis | Descriptor: | THIOL PEROXIDASE | Authors: | Gabrielsen, M, Zetterstrom, C.E, Wang, D, Elofsson, M, Roe, A.J. | Deposit date: | 2011-06-15 | Release date: | 2012-03-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural Characterisation of Tpx from Yersinia Pseudotuberculosis Reveals Insights Into the Binding of Salicylidene Acylhydrazide Compounds. Plos One, 7, 2012
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