4JDO
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![BU of 4jdo by Molmil](/molmil-images/mine/4jdo) | Secreted chlamydial protein pgp3, coiled-coil deletion | Descriptor: | SODIUM ION, Virulence plasmid protein pGP3-D | Authors: | Galaleldeen, A, Taylor, A.B, Chen, D, Holloway, S.P, Zhong, G, Hart, P.J. | Deposit date: | 2013-02-25 | Release date: | 2013-06-05 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the Chlamydia trachomatis immunodominant antigen Pgp3. J.Biol.Chem., 288, 2013
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5N60
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![BU of 5n60 by Molmil](/molmil-images/mine/5n60) | Cryo-EM structure of RNA polymerase I in complex with Rrn3 and Core Factor (Orientation I) | Descriptor: | DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ... | Authors: | Engel, C, Gubbey, T, Neyer, S, Sainsbury, S, Oberthuer, C, Baejen, C, Bernecky, C, Cramer, P. | Deposit date: | 2017-02-14 | Release date: | 2017-04-05 | Last modified: | 2018-10-03 | Method: | ELECTRON MICROSCOPY (7.7 Å) | Cite: | Structural Basis of RNA Polymerase I Transcription Initiation. Cell, 169, 2017
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6BL6
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![BU of 6bl6 by Molmil](/molmil-images/mine/6bl6) | Crystallization of lipid A transporter MsbA from Salmonella typhimurium | Descriptor: | Lipid A export ATP-binding/permease protein MsbA | Authors: | Padayatti, P.S, Stanfield, R.L, Zhang, Q, Wilson, I.A, Lee, S.C. | Deposit date: | 2017-11-09 | Release date: | 2019-01-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Insights into the Lipid A Transport Pathway in MsbA. Structure, 27, 2019
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5T20
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![BU of 5t20 by Molmil](/molmil-images/mine/5t20) | Crystal Structure of Tarin Lectin bound to Trimannose | Descriptor: | 1,2-ETHANEDIOL, Lectin, alpha-D-mannopyranose, ... | Authors: | Pereira, P.R, Meagher, J.L, Stuckey, J.A. | Deposit date: | 2016-08-22 | Release date: | 2016-09-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | High-resolution crystal structures of Colocasia esculenta tarin lectin. Glycobiology, 27, 2017
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5T1Z
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![BU of 5t1z by Molmil](/molmil-images/mine/5t1z) | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Ethoxytriphenylethylene and GRIP Peptide | Descriptor: | 4,4'-[(1Z)-1-(4-ethoxyphenyl)but-1-ene-1,2-diyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Fanning, S.W, Rajan, S.S, Maximov, P.Y, Abderrahman, B.H, Surojeet, S, Fernandes, D.J, Fan, P, Curpan, R.F, Greene, G.L, Jordan, V.C. | Deposit date: | 2016-08-22 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Endoxifen, 4-Hydroxytamoxifen and an Estrogenic Derivative Modulate Estrogen Receptor Complex Mediated Apoptosis in Breast Cancer. Mol. Pharmacol., 94, 2018
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2XO0
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![BU of 2xo0 by Molmil](/molmil-images/mine/2xo0) | xpt-pbuX C74U Riboswitch from B. subtilis bound to 24-diamino-1,3,5- triazine identified by virtual screening | Descriptor: | 1,3,5-TRIAZINE-2,4-DIAMINE, ACETATE ION, COBALT HEXAMMINE(III), ... | Authors: | Daldrop, P, Reyes, F.E, Robinson, D.A, Hammond, C.M, Lilley, D.M.J, Batey, R.T, Brenk, R. | Deposit date: | 2010-08-09 | Release date: | 2011-04-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Novel ligands for a purine riboswitch discovered by RNA-ligand docking. Chem. Biol., 18, 2011
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4RU5
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![BU of 4ru5 by Molmil](/molmil-images/mine/4ru5) | Crystal Structure of the Pseudomonas phage phi297 tailspike gp61 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Browning, C, Sycheva, L.V, Shneider, M.M, Leiman, P.G. | Deposit date: | 2014-11-18 | Release date: | 2015-11-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | The O-specific polysaccharide lyase from the phage LKA1 tailspike reduces Pseudomonas virulence. Sci Rep, 7, 2017
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5D8S
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![BU of 5d8s by Molmil](/molmil-images/mine/5d8s) | 2.55A resolution structure of BfrB (E85A) from Pseudomonas aeruginosa | Descriptor: | Ferroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M. | Deposit date: | 2015-08-17 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots. Biochemistry, 54, 2015
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6FFW
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![BU of 6ffw by Molmil](/molmil-images/mine/6ffw) | Phosphotriesterase PTE_A53_5 | Descriptor: | (4~{S},6~{R})-2,2,6-trimethyl-1,3-dioxan-4-ol, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | Deposit date: | 2018-01-09 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.495 Å) | Cite: | Phosphotriesterase
PTE_A53_5 To Be Published
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6I3U
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![BU of 6i3u by Molmil](/molmil-images/mine/6i3u) | |
5IU4
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![BU of 5iu4 by Molmil](/molmil-images/mine/5iu4) | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with ZM241385 at 1.7A resolution | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | Authors: | Segala, E, Guo, D, Cheng, R.K.Y, Bortolato, A, Deflorian, F, Dore, A.S, Errey, J.C, Heitman, L.H, Ijzerman, A.P, Marshall, F.H, Cooke, R.M. | Deposit date: | 2016-03-17 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength. J.Med.Chem., 59, 2016
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6FJF
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![BU of 6fjf by Molmil](/molmil-images/mine/6fjf) | Tubulin-FcMaytansine complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Menchon, G, Prota, A.E, Lucena Angell, D, Bucher, P, Mueller, R, Paterson, I, Diaz, J.F, Altmann, K.-H, Steinmetz, M.O. | Deposit date: | 2018-01-22 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | A fluorescence anisotropy assay to discover and characterize ligands targeting the maytansine site of tubulin. Nat Commun, 9, 2018
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2XSL
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![BU of 2xsl by Molmil](/molmil-images/mine/2xsl) | The crystal structure of a Thermus thermophilus tRNAGly acceptor stem microhelix at 1.6 Angstroem resolution | Descriptor: | 5'-R(*CP*UP*CP*CP*CP*GP*C)-3', 5'-R(*GP*CP*GP*GP*GP*AP*G)-3' | Authors: | Oberthuer, D, Eichert, A, Erdmann, V.A, Fuerste, J.P, Betzel, C, Foerster, C. | Deposit date: | 2010-10-29 | Release date: | 2011-08-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | The Crystal Structure of a Thermus Thermophilus tRNA(Gly) Acceptor Stem Microhelix at 1.6 A Resolution. Biochem.Biophys.Res.Commun., 404, 2011
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4RZ8
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![BU of 4rz8 by Molmil](/molmil-images/mine/4rz8) | Crystal structure of HIV-1 gp120 core in complex with NBD-11021, a small molecule CD4-antagonist | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(4-chlorophenyl)-N-{(S)-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl][(2R)-piperidin-2-yl]methyl}-1H-pyrrole-2-carboxamide, ... | Authors: | Kwon, Y.D, Debnath, A.K, Kwong, P.D. | Deposit date: | 2014-12-18 | Release date: | 2015-09-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Design of a Small Molecule CD4-Antagonist with Broad Spectrum Anti-HIV-1 Activity. J.Med.Chem., 58, 2015
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8FD1
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![BU of 8fd1 by Molmil](/molmil-images/mine/8fd1) | Crystal structure of photoactivated rhodopsin in complex with a nanobody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb2, ... | Authors: | Salom, D, Palczewski, K, Kiser, P.D. | Deposit date: | 2022-12-01 | Release date: | 2023-08-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (4.25 Å) | Cite: | Structural basis for the allosteric modulation of rhodopsin by nanobody binding to its extracellular domain. Nat Commun, 14, 2023
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6G1J
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![BU of 6g1j by Molmil](/molmil-images/mine/6g1j) | Phosphotriesterase PTE_C23M_1 | Descriptor: | 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ... | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | Deposit date: | 2018-03-21 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Phosphotriesterase
PTE_C23M_1 To Be Published
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3Q61
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![BU of 3q61 by Molmil](/molmil-images/mine/3q61) | 3'-Fluoro Hexitol Nucleic Acid DNA Structure | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(F3H)P*AP*CP*GP*C)-3') | Authors: | Seth, P.R, Allerson, C.R, Prakash, T.P, Siwkowski, A, Berdeja, A, Yu, J, Pallan, P.S, Watt, A.T, Gaus, H, Bhat, B, Egli, M, Swayze, E.E. | Deposit date: | 2010-12-30 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Synthesis, improved antisense activity and structural rationale for the divergent RNA affinities of 3'-fluoro hexitol nucleic acid (FHNA and Ara-FHNA) modified oligonucleotides. J.Am.Chem.Soc., 133, 2011
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8FAC
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![BU of 8fac by Molmil](/molmil-images/mine/8fac) | |
7JHD
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![BU of 7jhd by Molmil](/molmil-images/mine/7jhd) | Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with TTC-352 and GRIP Peptide | Descriptor: | 3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophene-6-ol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Fanning, S.W, Abderraman, B, Maximov, P.Y, Jordan, V.C, Greene, G.L. | Deposit date: | 2020-07-20 | Release date: | 2020-11-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Rapid Induction of the Unfolded Protein Response and Apoptosis by Estrogen Mimic TTC-352 for the Treatment of Endocrine-Resistant Breast Cancer. Mol.Cancer Ther., 20, 2021
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8FD0
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![BU of 8fd0 by Molmil](/molmil-images/mine/8fd0) | Crystal structure of bovine rod opsin in complex with a nanobody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb2, ... | Authors: | Salom, D, Palczewski, K, Kiser, P.D. | Deposit date: | 2022-12-01 | Release date: | 2023-08-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.71 Å) | Cite: | Structural basis for the allosteric modulation of rhodopsin by nanobody binding to its extracellular domain. Nat Commun, 14, 2023
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5GVL
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![BU of 5gvl by Molmil](/molmil-images/mine/5gvl) | Plasmodium vivax SHMT bound with PLP-glycine and GS182 | Descriptor: | (4~{S})-6-azanyl-4-[3-cyano-5-[5-(methoxymethyl)thiophen-2-yl]phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | Deposit date: | 2016-09-06 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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5GM7
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![BU of 5gm7 by Molmil](/molmil-images/mine/5gm7) | Crystal structure of Ribosome inactivating protein from Momordica balsamina at 1.78 Angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Ribosome inactivating protein | Authors: | Singh, B, Singh, P.K, Pandey, S.N, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2016-07-13 | Release date: | 2016-07-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal structure of Ribosome inactivating protein from Momordica balsamina at 1.78 Angstrom resolution To Be Published
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8PG0
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![BU of 8pg0 by Molmil](/molmil-images/mine/8pg0) | Human OATP1B3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, CHOLESTEROL, ... | Authors: | Ciuta, A.-D, Nosol, K, Kowal, J, Mukherjee, S, Ramirez, A.S, Stieger, B, Kossiakoff, A.A, Locher, K.P. | Deposit date: | 2023-06-17 | Release date: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | Structure of human drug transporters OATP1B1 and OATP1B3. Nat Commun, 14, 2023
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5CYP
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![BU of 5cyp by Molmil](/molmil-images/mine/5cyp) | GTPase domain of Septin 9 in complex with GTP-gamma-S | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Septin-9 | Authors: | Matos, S.S, Leonardo, D.A, Pereira, H.M, Horjales, E, Araujo, A.P.U, Garratt, R.C. | Deposit date: | 2015-07-30 | Release date: | 2016-08-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.893 Å) | Cite: | A complete compendium of crystal structures for the human SEPT3 subgroup reveals functional plasticity at a specific septin interface Iucrj, 2020
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5GMS
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![BU of 5gms by Molmil](/molmil-images/mine/5gms) | Crystal structure of the mutant S202W/I203F of the esterase E40 | Descriptor: | Esterase | Authors: | Zhang, Y.-Z, Li, P.-Y. | Deposit date: | 2016-07-15 | Release date: | 2017-07-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Mechanistic Insights into the Improvement of the Halotolerance of a Marine Microbial Esterase by Increasing Intra- and Interdomain Hydrophobic Interactions. Appl. Environ. Microbiol., 83, 2017
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