5YB9
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![BU of 5yb9 by Molmil](/molmil-images/mine/5yb9) | Crystal structure of a dimeric cyclophilin A from T.vaginalis | Descriptor: | Peptidyl-prolyl cis-trans isomerase | Authors: | Cho, C.C, Lin, M.H, Chou, C.C, Martin, T, Chen, C, Hsu, C.H. | Deposit date: | 2017-09-04 | Release date: | 2018-07-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.276 Å) | Cite: | Structural basis of interaction between dimeric cyclophilin 1 and Myb1 transcription factor in Trichomonas vaginalis Sci Rep, 8, 2018
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5YBA
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![BU of 5yba by Molmil](/molmil-images/mine/5yba) | Dimeric Cyclophilin from T.vaginalis in complex with Myb1 peptide | Descriptor: | Myb1 peptide, Peptidyl-prolyl cis-trans isomerase | Authors: | Cho, C.C, Lin, M.H, Martin, T, Chou, C.C, Chen, C, Hsu, C.H. | Deposit date: | 2017-09-04 | Release date: | 2018-07-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.062 Å) | Cite: | Structural basis of interaction between dimeric cyclophilin 1 and Myb1 transcription factor in Trichomonas vaginalis Sci Rep, 8, 2018
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3OYP
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![BU of 3oyp by Molmil](/molmil-images/mine/3oyp) | HCV NS3/4A in complex with ligand 3 | Descriptor: | Non-structural protein 4A, Peptidomimetic inhibitor, Serine protease NS3, ... | Authors: | Hagel, M, Niu, D, St.Martin, T, Sheets, M.P, Qiao, L, Bernard, H, Karp, R.M, Zhu, Z, Labenski, M.T, Chaturvedi, P.C, Nacht, M, Westlin, W.F, Petter, R.C, Singh, J. | Deposit date: | 2010-09-23 | Release date: | 2010-12-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Selective irreversible inhibition of a protease by targeting a noncatalytic cysteine. Nat.Chem.Biol., 7, 2011
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2A4Z
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![BU of 2a4z by Molmil](/molmil-images/mine/2a4z) | Crystal Structure of human PI3Kgamma complexed with AS604850 | Descriptor: | (5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit, gamma isoform | Authors: | Camps, M, Ruckle, T, Ji, H, Ardissone, V, Rintelen, F, Shaw, J, Ferrandi, C, Chabert, C, Gillieron, C, Francon, B, Martin, T, Gretener, D, Perrin, D, Leroy, D, Vitte, P.-A, Hirsch, E, Wymann, M.P, Cirillo, R, Schwarz, M.K, Rommel, C. | Deposit date: | 2005-06-30 | Release date: | 2005-09-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Blockade of PI3Kgamma suppresses joint inflammation and damage in mouse models of rheumatoid arthritis NAT.MED. (N.Y.), 11, 2005
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2A5U
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![BU of 2a5u by Molmil](/molmil-images/mine/2a5u) | Crystal Structure of human PI3Kgamma complexed with AS605240 | Descriptor: | (5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE-2,4-DIONE, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit, gamma isoform | Authors: | Camps, M, Ruckle, T, Ji, H, Ardissone, V, Rintelen, F, Shaw, J, Ferrandi, C, Chabert, C, Gillieron, C, Francon, B, Martin, T, Gretener, D, Perrin, D, Leroy, D, Vitte, P.-A, Hirsch, E, Wymann, M.P, Cirillo, R, Schwarz, M.K, Rommel, C. | Deposit date: | 2005-07-01 | Release date: | 2005-09-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Blockade of PI3Kgamma suppresses joint inflammation and damage in mouse models of rheumatoid arthritis NAT.MED. (N.Y.), 11, 2005
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5LZH
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![BU of 5lzh by Molmil](/molmil-images/mine/5lzh) | Cholera toxin classical B-pentamer in complex with inhibitor PC262 | Descriptor: | (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Heggelund, J.E, Martinsen, T, Krengel, U. | Deposit date: | 2016-09-29 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics. Sci Rep, 7, 2017
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5LZG
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![BU of 5lzg by Molmil](/molmil-images/mine/5lzg) | Cholera toxin El Tor B-pentamer in complex with inhibitor PC262 | Descriptor: | (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Heggelund, J.E, Martinsen, T, Krengel, U. | Deposit date: | 2016-09-29 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics. Sci Rep, 7, 2017
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7ALJ
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![BU of 7alj by Molmil](/molmil-images/mine/7alj) | Structure of Drosophila Notch EGF domains 11-13 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neurogenic locus Notch protein, ... | Authors: | Suckling, R, Johnson, S, Lea, S.M. | Deposit date: | 2020-10-06 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | The conserved C2 phospholipid-binding domain in Delta contributes to robust Notch signalling. Embo Rep., 22, 2021
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7ALK
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![BU of 7alk by Molmil](/molmil-images/mine/7alk) | Structure of Drosophila C2-DSL-EGF1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Neurogenic locus protein delta, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Suckling, R, Johnson, S, Lea, S.M. | Deposit date: | 2020-10-06 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The conserved C2 phospholipid-binding domain in Delta contributes to robust Notch signalling. Embo Rep., 22, 2021
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7ALT
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![BU of 7alt by Molmil](/molmil-images/mine/7alt) | Structure of Drosophila Serrate C2-DSL-EGF1-EGF2 | 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: | Suckling, R, Johnson, S, Lea, S.M. | Deposit date: | 2020-10-07 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | The conserved C2 phospholipid-binding domain in Delta contributes to robust Notch signalling. Embo Rep., 22, 2021
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6Y20
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![BU of 6y20 by Molmil](/molmil-images/mine/6y20) | |
8P0M
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![BU of 8p0m by Molmil](/molmil-images/mine/8p0m) | Crystal structure of TEAD3 in complex with IAG933 | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 4-[(2~{S})-5-chloranyl-6-fluoranyl-2-phenyl-2-[(2~{S})-pyrrolidin-2-yl]-3~{H}-1-benzofuran-4-yl]-5-fluoranyl-6-(2-hydroxyethyloxy)-~{N}-methyl-pyridine-3-carboxamide, DIMETHYL SULFOXIDE, ... | Authors: | Scheufler, C, Villard, F, Chau, S. | Deposit date: | 2023-05-10 | Release date: | 2024-04-10 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.961 Å) | Cite: | Direct and selective pharmacological disruption of the YAP-TEAD interface by IAG933 inhibits Hippo-dependent and RAS-MAPK-altered cancers. Nat Cancer, 5, 2024
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6SEN
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![BU of 6sen by Molmil](/molmil-images/mine/6sen) | TEAD4 bound to a FAM181A peptide | Descriptor: | Protein FAM181A, SULFATE ION, Transcriptional enhancer factor TEF-3 | Authors: | Scheufler, C, Villard, F. | Deposit date: | 2019-07-30 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Identification of FAM181A and FAM181B as new interactors with the TEAD transcription factors. Protein Sci., 29, 2020
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6SEO
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![BU of 6seo by Molmil](/molmil-images/mine/6seo) | TEAD4 bound to a FAM181B peptide | Descriptor: | Protein FAM181B, Transcriptional enhancer factor TEF-3 | Authors: | Scheufler, C, Villard, F. | Deposit date: | 2019-07-30 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Identification of FAM181A and FAM181B as new interactors with the TEAD transcription factors. Protein Sci., 29, 2020
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4ZNE
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![BU of 4zne by Molmil](/molmil-images/mine/4zne) | IgG1 Fc-FcgammaRI ecd complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Oganesyan, V.Y, Dall'Acqua, W.F. | Deposit date: | 2015-05-04 | Release date: | 2015-11-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structural insights into the interaction of human IgG1 with Fc gamma RI: no direct role of glycans in binding. Acta Crystallogr.,Sect.D, 71, 2015
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3FPT
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![BU of 3fpt by Molmil](/molmil-images/mine/3fpt) | The Crystal Structure of the Complex between Evasin-1 and CCL3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Evasin-1 | Authors: | Shaw, J.P, Dias, J.M. | Deposit date: | 2009-01-06 | Release date: | 2010-01-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of chemokine sequestration by a tick chemokine binding protein: the crystal structure of the complex between Evasin-1 and CCL3 Plos One, 4, 2009
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3FPU
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![BU of 3fpu by Molmil](/molmil-images/mine/3fpu) | |
3FPR
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![BU of 3fpr by Molmil](/molmil-images/mine/3fpr) | Crystal Structure of Evasin-1 | Descriptor: | Evasin-1 | Authors: | Dias, J.M, Shaw, J.P. | Deposit date: | 2009-01-06 | Release date: | 2010-01-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structural basis of chemokine sequestration by a tick chemokine binding protein: the crystal structure of the complex between Evasin-1 and CCL3 Plos One, 4, 2009
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7MRJ
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![BU of 7mrj by Molmil](/molmil-images/mine/7mrj) | Crystal structure of a novel ubiquitin-like TINCR | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Forouhar, F, Morgado-Palacin, L, Brown, J.A, Martinez, T, Pedrero, J.M.G, Reglero, C, Chaudhry, I, Vaughan, J, Rodriguez-Perales, S, Allonca, E, Granda-Diaz, R, Quinn, S.A, Fernandez, A.F, Fraga, M.F, Kim, A.L, Santos-Juanes, J, Owens, D.M, Rodrigo, J.P, Saghatelian, A, Ferrando, A.A. | Deposit date: | 2021-05-07 | Release date: | 2022-03-16 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | The TINCR ubiquitin-like microprotein is a tumor suppressor in squamous cell carcinoma. Nat Commun, 14, 2023
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5OAQ
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![BU of 5oaq by Molmil](/molmil-images/mine/5oaq) | |
6MHN
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![BU of 6mhn by Molmil](/molmil-images/mine/6mhn) | Photoactive Yellow Protein with covalently bound 3-chloro-4-hydroxycinnamic acid chromophore | Descriptor: | (2E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enoic acid, Photoactive yellow protein | Authors: | Thomson, B.D, Both, J, Wu, Y, Parrish, R.M, Martinez, T, Boxer, S.G. | Deposit date: | 2018-09-18 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Perturbation of Short Hydrogen Bonds in Photoactive Yellow Protein via Noncanonical Amino Acid Incorporation. J.Phys.Chem.B, 123, 2019
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6MHI
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![BU of 6mhi by Molmil](/molmil-images/mine/6mhi) | Photoactive Yellow Protein with covalently bound 3,5-dichloro-4-hydroxycinnamic acid chromophore | Descriptor: | (2E)-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enoic acid, Photoactive yellow protein | Authors: | Thomson, B.D, Both, J, Wu, Y, Parrish, R.M, Martinez, T, Boxer, S.G. | Deposit date: | 2018-09-18 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Perturbation of Short Hydrogen Bonds in Photoactive Yellow Protein via Noncanonical Amino Acid Incorporation. J.Phys.Chem.B, 123, 2019
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6MKT
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![BU of 6mkt by Molmil](/molmil-images/mine/6mkt) | Photoactive Yellow Protein with 3-chlorotyrosine substituted at position 42 | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | Authors: | Thomson, B.D, Both, J, Wu, Y, Parrish, R.M, Martinez, T, Boxer, S.G. | Deposit date: | 2018-09-26 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Perturbation of Short Hydrogen Bonds in Photoactive Yellow Protein via Noncanonical Amino Acid Incorporation. J.Phys.Chem.B, 123, 2019
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6MMD
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![BU of 6mmd by Molmil](/molmil-images/mine/6mmd) | Photoactive Yellow Protein with 3,5-dichlorotyrosine substituted at position 42 | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | Authors: | Thomson, B.D, Both, J, Wu, Y, Parrish, R.M, Martinez, T, Boxer, S.G. | Deposit date: | 2018-09-30 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.228 Å) | Cite: | Perturbation of Short Hydrogen Bonds in Photoactive Yellow Protein via Noncanonical Amino Acid Incorporation. J.Phys.Chem.B, 123, 2019
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6X5Y
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![BU of 6x5y by Molmil](/molmil-images/mine/6x5y) | IDO1 in complex with compound 4 | Descriptor: | 4-fluoro-N-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lesburg, C.A, Lammens, A. | Deposit date: | 2020-05-27 | Release date: | 2021-06-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Utilization of MetID and Structural Data to Guide Placement of Spiro and Fused Cyclopropyl Groups for the Synthesis of Low Dose IDO1 Inhibitors To Be Published
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