2LAW
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![BU of 2law by Molmil](/molmil-images/mine/2law) | Structure of the second WW domain from human YAP in complex with a human Smad1 derived peptide | Descriptor: | Mothers against decapentaplegic homolog 1, Yorkie homolog | Authors: | Macias, M.J, Aragon, E, Goerner, N, Zaromytidou, A, Xi, Q, Escobedo, A, Massague, J. | Deposit date: | 2011-03-22 | Release date: | 2011-07-06 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | A Smad action turnover switch operated by WW domain readers of a phosphoserine code. Genes Dev., 25, 2011
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6WKG
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5TER
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![BU of 5ter by Molmil](/molmil-images/mine/5ter) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile (JLJ651), a Non-nucleoside Inhibitor | Descriptor: | 5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... | Authors: | Chan, A.H, Anderson, K.S. | Deposit date: | 2016-09-22 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design, Conformation, and Crystallography of 2-Naphthyl Phenyl Ethers as Potent Anti-HIV Agents. ACS Med Chem Lett, 7, 2016
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4CI6
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![BU of 4ci6 by Molmil](/molmil-images/mine/4ci6) | Mechanisms of crippling actin-dependent phagocytosis by YopO | Descriptor: | ACTIN, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | Authors: | Lee, W.L, Grimes, J.M, Robinson, R.C. | Deposit date: | 2013-12-06 | Release date: | 2015-01-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.651 Å) | Cite: | Yersinia Effector Yopo Uses Actin as Bait to Phosphorylate Proteins that Regulate Actin Polymerization. Nat.Struct.Mol.Biol., 22, 2015
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4CX4
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![BU of 4cx4 by Molmil](/molmil-images/mine/4cx4) | Structure of rat neuronal nitric oxide synthase M336V D597N mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(4- METHYLPYRIDIN-2-YL)PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE | Descriptor: | 4-methyl-6-{[(3R,4R)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2014-04-03 | Release date: | 2014-08-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases. Biochemistry, 53, 2014
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5TFB
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![BU of 5tfb by Molmil](/molmil-images/mine/5tfb) | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with 7-methyl-GTP | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | Deposit date: | 2016-09-24 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain To Be Published
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5TFI
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![BU of 5tfi by Molmil](/molmil-images/mine/5tfi) | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dGTP | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | Deposit date: | 2016-09-25 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.891 Å) | Cite: | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain To Be Published
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4CKD
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4CX1
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![BU of 4cx1 by Molmil](/molmil-images/mine/4cx1) | Structure of bovine endothelial nitric oxide synthase L111A mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(4- METHYLPYRIDIN-2-YL)PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE | Descriptor: | 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, 4-methyl-6-{[(3R,4R)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2014-04-03 | Release date: | 2014-08-13 | Last modified: | 2014-09-03 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases. Biochemistry, 53, 2014
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6WPK
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6RMG
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![BU of 6rmg by Molmil](/molmil-images/mine/6rmg) | Structure of PTCH1 bound to a modified Hedgehog ligand ShhN-C24II | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Korkhov, V.M, Qi, C. | Deposit date: | 2019-05-06 | Release date: | 2019-10-09 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis of sterol recognition by human hedgehog receptor PTCH1. Sci Adv, 5, 2019
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6X25
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![BU of 6x25 by Molmil](/molmil-images/mine/6x25) | CRYSTAL STRUCTURE OF INOSITOL POLYPHOSPHATE 1-PHOSPHATASE INPP1 IN COMPLEX GADOLINIUM AFTER ADDITION OF INOSITOL 1,3,4-TRISPHOSPHATE AND LITHIUM AT 3.2 ANGSTROM RESOLUTION | Descriptor: | GADOLINIUM ATOM, Inositol polyphosphate 1-phosphatase, SULFATE ION | Authors: | Dollins, D.E, Endo-Streeter, S, Ren, Y, York, J.D. | Deposit date: | 2020-05-20 | Release date: | 2020-11-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | A structural basis for lithium and substrate binding of an inositide phosphatase. J.Biol.Chem., 296, 2020
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6RNU
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![BU of 6rnu by Molmil](/molmil-images/mine/6rnu) | BCL-XL in a complex with a covalent small molecule inhibitor | Descriptor: | 4-(4-fluorophenyl)-3-fluorosulfonyl-benzoic acid, BROMIDE ION, Bcl-2-like protein 1 | Authors: | Hargreaves, D. | Deposit date: | 2019-05-09 | Release date: | 2019-10-02 | Last modified: | 2019-11-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery and optimization of covalent Bcl-xL antagonists. Bioorg.Med.Chem.Lett., 29, 2019
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6RO0
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![BU of 6ro0 by Molmil](/molmil-images/mine/6ro0) | CRYSTAL STRUCTURE OF GENETICALLY DETOXIFIED PERTUSSIS TOXIN GDPT. | Descriptor: | GLYCEROL, Islet-activating protein S2, Islet-activating protein S3, ... | Authors: | Bertrand, T. | Deposit date: | 2019-05-10 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Genetically detoxified pertussis toxin displays near identical structure to its wild-type and exhibits robust immunogenicity. Commun Biol, 3, 2020
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2NSJ
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![BU of 2nsj by Molmil](/molmil-images/mine/2nsj) | E. coli PurE H45Q mutant complexed with CAIR | Descriptor: | 5-AMINO-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID, Phosphoribosylaminoimidazole carboxylase catalytic subunit | Authors: | Ealick, S.E, Morar, M. | Deposit date: | 2006-11-04 | Release date: | 2007-04-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | N(5)-CAIR Mutase: Role of a CO(2) Binding Site and Substrate Movement in Catalysis. Biochemistry, 46, 2007
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6WCZ
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![BU of 6wcz by Molmil](/molmil-images/mine/6wcz) | CryoEM structure of full-length ZIKV NS5-hSTAT2 complex | Descriptor: | Non-structural protein 5, Signal transducer and activator of transcription 2, ZINC ION | Authors: | Boxiao, W, Stephanie, T, Kang, Z, Maria, T.S, Jian, F, Jiuwei, L, Linfeng, G, Wendan, R, Yanxiang, C, Ethan, C.V, HeaJin, H, Matthew, J.E, Sean, E.O, Adolfo, G.S, Hong, Z, Rong, H, Jikui, S. | Deposit date: | 2020-03-31 | Release date: | 2020-07-08 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural basis for STAT2 suppression by flavivirus NS5. Nat.Struct.Mol.Biol., 27, 2020
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2O5C
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![BU of 2o5c by Molmil](/molmil-images/mine/2o5c) | Structure of E. coli topoisomerase III in complex with an 8-base single stranded oligonucleotide. Frozen in glucose pH 5.5 | Descriptor: | 5'-D(*CP*GP*CP*AP*AP*CP*TP*T)-3', CHLORIDE ION, DNA topoisomerase 3, ... | Authors: | Changela, A, DiGate, R.J, Mondragon, A. | Deposit date: | 2006-12-05 | Release date: | 2007-04-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural Studies of E. coli Topoisomerase III-DNA Complexes Reveal a Novel Type IA Topoisomerase-DNA Conformational Intermediate. J.Mol.Biol., 368, 2007
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2NUK
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![BU of 2nuk by Molmil](/molmil-images/mine/2nuk) | Soluble Domain of the Rieske Iron-Sulfur Protein from Rhodobacter sphaeroides | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, Ubiquinol-cytochrome c reductase iron-sulfur subunit | Authors: | Kolling, D, Brunzelle, J, Lhee, S, Crofts, A.R, Nair, S.K. | Deposit date: | 2006-11-09 | Release date: | 2007-04-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Atomic resolution structures of rieske iron-sulfur protein: role of hydrogen bonds in tuning the redox potential of iron-sulfur clusters. Structure, 15, 2007
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5TMH
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![BU of 5tmh by Molmil](/molmil-images/mine/5tmh) | Structure of Zika virus NS5 | Descriptor: | GLYCEROL, Polyprotein, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Wang, B, Tan, X, Song, J. | Deposit date: | 2016-10-12 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.278 Å) | Cite: | The structure of Zika virus NS5 reveals a conserved domain conformation. Nat Commun, 8, 2017
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6ROH
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![BU of 6roh by Molmil](/molmil-images/mine/6roh) | Cryo-EM structure of the autoinhibited Drs2p-Cdc50p | Descriptor: | 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Timcenko, M, Lyons, J.A, Januliene, D, Ulstrup, J.J, Dieudonne, T, Montigny, C, Ash, M.R, Karlsen, J.L, Boesen, T, Kuhlbrandt, W, Lenoir, G, Moeller, A, Nissen, P. | Deposit date: | 2019-05-13 | Release date: | 2019-07-03 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structure and autoregulation of a P4-ATPase lipid flippase. Nature, 571, 2019
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2O6G
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2NVF
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![BU of 2nvf by Molmil](/molmil-images/mine/2nvf) | Soluble domain of Rieske Iron-Sulfur protein. | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, Ubiquinol-cytochrome c reductase iron-sulfur subunit | Authors: | Kolling, D, Brunzelle, J, Lhee, S, Crofts, A.R, Nair, S.K. | Deposit date: | 2006-11-12 | Release date: | 2007-02-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Atomic resolution structures of rieske iron-sulfur protein: role of hydrogen bonds in tuning the redox potential of iron-sulfur clusters. Structure, 15, 2007
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2NWF
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![BU of 2nwf by Molmil](/molmil-images/mine/2nwf) | Soluble domain of Rieske Iron Sulfur Protein | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, Ubiquinol-cytochrome c reductase iron-sulfur subunit | Authors: | Kolling, D, Brunzelle, J.S, Lhee, S, Crofts, A.R, Nair, S.K. | Deposit date: | 2006-11-14 | Release date: | 2007-04-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Atomic resolution structures of rieske iron-sulfur protein: role of hydrogen bonds in tuning the redox potential of iron-sulfur clusters. Structure, 15, 2007
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6RQ6
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![BU of 6rq6 by Molmil](/molmil-images/mine/6rq6) | CYP121 in complex with 3-fluoro dicyclotyrosine | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-fluoro dicyclotyrosine, Mycocyclosin synthase, ... | Authors: | Poddar, H, Levy, C. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
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4CT7
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![BU of 4ct7 by Molmil](/molmil-images/mine/4ct7) | CNOT9-CNOT1 complex with bound tryptophan | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 1, CELL DIFFERENTIATION PROTEIN RCD1 HOMOLOG, ... | Authors: | Basquin, J, Ozgur, S, Conti, E. | Deposit date: | 2014-03-12 | Release date: | 2014-05-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.897 Å) | Cite: | Structural and Biochemical Insights to the Role of the Ccr4-not Complex and Ddx6 ATPase in Microrna Repression. Mol.Cell, 54, 2014
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