3O5E
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![BU of 3o5e by Molmil](/molmil-images/mine/3o5e) | Fk1 domain of FKBP51, crystal form VI | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Bracher, A, Kozany, C, Thost, A.-K, Hausch, F. | Deposit date: | 2010-07-28 | Release date: | 2011-06-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90. Acta Crystallogr.,Sect.D, 67, 2011
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6B9P
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![BU of 6b9p by Molmil](/molmil-images/mine/6b9p) | Structure of GH 38 Jack Bean alpha-mannosidase in complex with a 36-valent iminosugar cluster inhibitor | Descriptor: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{9-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]nonyl}piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase from Canavalia ensiformis (jack bean), ... | Authors: | Howard, E, Cousido-Siah, A, Lepage, M, Bodlenner, A, Mitschler, A, Meli, A, De Riccardis, F, Izzo, I, Podjarny, A, Compain, P. | Deposit date: | 2017-10-11 | Release date: | 2018-09-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Structural Basis of Outstanding Multivalent Effects in Jack Bean alpha-Mannosidase Inhibition. Angew. Chem. Int. Ed. Engl., 57, 2018
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3O5L
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![BU of 3o5l by Molmil](/molmil-images/mine/3o5l) | Fk1 domain mutant A19T of FKBP51, crystal form I | Descriptor: | PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Bracher, A, Kozany, C, Thost, A.-K, Hausch, F. | Deposit date: | 2010-07-28 | Release date: | 2011-06-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90. Acta Crystallogr.,Sect.D, 67, 2011
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3O5Q
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![BU of 3o5q by Molmil](/molmil-images/mine/3o5q) | Fk1 domain mutant A19T of FKBP51, crystal form IV, in presence of DMSO | Descriptor: | DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Bracher, A, Kozany, C, Thost, A.-K, Hausch, F. | Deposit date: | 2010-07-28 | Release date: | 2011-06-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90. Acta Crystallogr.,Sect.D, 67, 2011
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6EU9
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![BU of 6eu9 by Molmil](/molmil-images/mine/6eu9) | Crystal structure of Platynereis dumerilii RAR ligand-binding domain in complex with all-trans retinoic acid | Descriptor: | RETINOIC ACID, Retinoic acid receptor | Authors: | Handberg-Thorsager, M, Gutierrez-Mazariegos, J, Arold, S.T, Nadendla, E.K, Bertucci, P.Y, Germain, P, Tomancak, P, Pierzchalski, K, Jones, J.W, Albalat, R, Kane, M.A, Bourguet, W, Laudet, V, Arendt, D, Schubert, M. | Deposit date: | 2017-10-29 | Release date: | 2018-03-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | The ancestral retinoic acid receptor was a low-affinity sensor triggering neuronal differentiation. Sci Adv, 4, 2018
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6BBO
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![BU of 6bbo by Molmil](/molmil-images/mine/6bbo) | Crystal structure of human APOBEC3H/RNA complex | Descriptor: | APOBEC3H, GLYCEROL, MCherry fluorescent protein, ... | Authors: | Shaban, N.M, Shi, K, Banerjee, S, Harris, R.S, Aihara, H. | Deposit date: | 2017-10-19 | Release date: | 2018-01-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.428 Å) | Cite: | The Antiviral and Cancer Genomic DNA Deaminase APOBEC3H Is Regulated by an RNA-Mediated Dimerization Mechanism. Mol. Cell, 69, 2018
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4CM3
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![BU of 4cm3 by Molmil](/molmil-images/mine/4cm3) | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, ... | Authors: | Barrack, K.L, Hunter, W.N. | Deposit date: | 2014-01-15 | Release date: | 2015-01-21 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
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6AYD
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![BU of 6ayd by Molmil](/molmil-images/mine/6ayd) | |
4L2F
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![BU of 4l2f by Molmil](/molmil-images/mine/4l2f) | Tankyrase 2 in complex with 6-chloro flavone | Descriptor: | 6-chloro-2-phenyl-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-06-04 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4L2K
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![BU of 4l2k by Molmil](/molmil-images/mine/4l2k) | Tankyrase 2 in complex with 2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one | Descriptor: | 2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-06-04 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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3NSL
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![BU of 3nsl by Molmil](/molmil-images/mine/3nsl) | |
3O5F
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![BU of 3o5f by Molmil](/molmil-images/mine/3o5f) | Fk1 domain of FKBP51, crystal form VII | Descriptor: | CARBONATE ION, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Bracher, A, Kozany, C, Thost, A.-K, Hausch, F. | Deposit date: | 2010-07-28 | Release date: | 2011-06-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90. Acta Crystallogr.,Sect.D, 67, 2011
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3O5M
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![BU of 3o5m by Molmil](/molmil-images/mine/3o5m) | Fk1 domain mutant A19T of FKBP51, crystal form II | Descriptor: | GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Bracher, A, Kozany, C, Thost, A.-K, Hausch, F. | Deposit date: | 2010-07-28 | Release date: | 2011-06-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90. Acta Crystallogr.,Sect.D, 67, 2011
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4CPK
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![BU of 4cpk by Molmil](/molmil-images/mine/4cpk) | Crystal structure of PBP2a double clinical mutant N146K-E150K from MRSA | Descriptor: | CADMIUM ION, CHLORIDE ION, Penicillin binding protein 2 prime, ... | Authors: | Otero, L.H, Rojas-Altuve, A, Hermoso, J.A. | Deposit date: | 2014-02-07 | Release date: | 2014-09-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Disruption of Allosteric Response as an Unprecedented Mechanism of Resistance to Antibiotics. J.Am.Chem.Soc., 136, 2014
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6B1U
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![BU of 6b1u by Molmil](/molmil-images/mine/6b1u) | Structure of full-length human AMPK (a2b1g1) in complex with a small molecule activator SC4 | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | Authors: | Ngoei, K.R.W, Langendorf, C.G, Ling, N.X.Y, Hoque, A, Johnson, S, Camerino, M.C, Walker, S.R, Bozikis, Y.E, Dite, T.A, Ovens, A.J, Smiles, W.J, Jacobs, R, Huang, H, Parker, M.W, Scott, J.W, Rider, M.H, Kemp, B.E, Foitzik, R.C, Baell, J.B, Oakhill, J.S. | Deposit date: | 2017-09-19 | Release date: | 2018-04-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Structural Determinants for Small-Molecule Activation of Skeletal Muscle AMPK alpha 2 beta 2 gamma 1 by the Glucose Importagog SC4. Cell Chem Biol, 25, 2018
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4CRT
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![BU of 4crt by Molmil](/molmil-images/mine/4crt) | Crystal structure of human monoamine oxidase B in complex with the multi-target inhibitor ASS234 | Descriptor: | (E)-N-methyl-N-[[1-methyl-5-[3-[1-(phenylmethyl)piperidin-4-yl]propoxy]indol-2-yl]methyl]prop-1-en-1-amine, AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Esteban, G, Allan, J, Samadi, A, Mattevi, A, Unzeta, M, Marco-Contelles, J, Binda, C, Ramsay, R.R. | Deposit date: | 2014-02-28 | Release date: | 2014-04-02 | Last modified: | 2014-05-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Kinetic and Structural Analysis of the Irreversible Inhibition of Human Monoamine Oxidases by Ass234, a Multi-Target Compound Designed for Use in Alzheimer'S Disease. Biochim.Biophys.Acta, 1844, 2014
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4CTC
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![BU of 4ctc by Molmil](/molmil-images/mine/4ctc) | Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor 7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17- dihydro-1H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecin-15(10H)-one | Descriptor: | (10R)-7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17-dihydro-1H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E. | Deposit date: | 2014-03-12 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations. J.Med.Chem., 57, 2014
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6F3D
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![BU of 6f3d by Molmil](/molmil-images/mine/6f3d) | IRAK4 IN COMPLEX WITH inhibitor | Descriptor: | 4-[4-[[4-(dimethylamino)cyclohexyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION | Authors: | Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D. | Deposit date: | 2017-11-28 | Release date: | 2018-05-23 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4. Bioorg. Med. Chem., 26, 2018
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7KGM
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![BU of 7kgm by Molmil](/molmil-images/mine/7kgm) | C. rodentium YcbB - ertapenem complex | Descriptor: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Putative exported protein | Authors: | Caveney, N.A, Strynadka, N.C.J. | Deposit date: | 2020-10-17 | Release date: | 2020-11-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and Cellular Insights into the l,d-Transpeptidase YcbB as a Therapeutic Target in Citrobacter rodentium, Salmonella Typhimurium, and Salmonella Typhi Infections. Antimicrob.Agents Chemother., 65, 2021
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6AVU
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![BU of 6avu by Molmil](/molmil-images/mine/6avu) | Human alpha-V beta-3 Integrin (open conformation) in complex with the therapeutic antibody LM609 | Descriptor: | Fab LM609 heavy chain, Fab LM609 light chain, Integrin alpha-V, ... | Authors: | Borst, A.J, James, Z.N, Zagotta, W.N, Ginsberg, M, Rey, F.A, DiMaio, F, Backovic, M, Veesler, D. | Deposit date: | 2017-09-04 | Release date: | 2017-11-01 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (35 Å) | Cite: | The Therapeutic Antibody LM609 Selectively Inhibits Ligand Binding to Human alpha V beta 3 Integrin via Steric Hindrance. Structure, 25, 2017
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7KKL
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![BU of 7kkl by Molmil](/molmil-images/mine/7kkl) | SARS-CoV-2 Spike in complex with neutralizing nanobody mNb6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Schoof, M.S, Faust, B.F, Saunders, R.A, Sangwan, S, Rezelj, V, Hoppe, N, Boone, M, Billesboelle, C.B, Puchades, C, Azumaya, C.M, Kratochvil, H.T, Zimanyi, M, Desphande, I, Liang, J, Dickinson, S, Nguyen, H.C, Chio, C.M, Merz, G.E, Thompson, M.C, Diwanji, D, Schaefer, K, Anand, A.A, Dobzinski, N, Zha, B.S, Simoneau, C.R, Leon, K, White, K.M, Chio, U.S, Gupta, M, Jin, M, Li, F, Liu, Y, Zhang, K, Bulkley, D, Sun, M, Smith, A.M, Rizo, A.N, Moss, F, Brilot, A.F, Pourmal, S, Trenker, R, Pospiech, T, Gupta, S, Barsi-Rhyne, B, Belyy, V, Barile-Hill, A.W, Nock, S, Liu, Y, Krogan, N.J, Ralston, C.Y, Swaney, D.L, Garcia-Sastre, A, Ott, M, Vignuzzi, M, Walter, P, Manglik, A, QCRG Structural Biology Consortium | Deposit date: | 2020-10-27 | Release date: | 2020-11-11 | Last modified: | 2021-04-21 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike. Science, 370, 2020
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3O5I
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![BU of 3o5i by Molmil](/molmil-images/mine/3o5i) | Fk1 domain of FKBP51, crystal form II | Descriptor: | ACETATE ION, GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Bracher, A, Kozany, C, Thost, A.-K, Hausch, F. | Deposit date: | 2010-07-28 | Release date: | 2011-06-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90. Acta Crystallogr.,Sect.D, 67, 2011
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6F4N
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3O5R
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![BU of 3o5r by Molmil](/molmil-images/mine/3o5r) | Complex of Fk506 with the Fk1 domain mutant A19T of FKBP51 | Descriptor: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Bracher, A, Kozany, C, Thost, A.-K, Hausch, F. | Deposit date: | 2010-07-28 | Release date: | 2011-06-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90. Acta Crystallogr.,Sect.D, 67, 2011
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3OCP
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![BU of 3ocp by Molmil](/molmil-images/mine/3ocp) | Crystal structure of cAMP bound cGMP-dependent protein kinase(92-227) | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, PRKG1 protein | Authors: | Kim, J.J, Huang, G, Kwon, T.K, Zwart, P, Headd, J, Kim, C. | Deposit date: | 2010-08-10 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Co-Crystal Structures of PKG Ibeta (92-227) with cGMP and cAMP Reveal the Molecular Details of Cyclic-Nucleotide Binding Plos One, 6, 2011
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