6F7A
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![BU of 6f7a by Molmil](/molmil-images/mine/6f7a) | Gloeobacter Ligand-gated Ion Channel (GLIC) closed state crystallized in an ultra-swollen lipidic mesophase | Descriptor: | Proton-gated ion channel | Authors: | Martiel, I, Zabara, A, Chong, J.Y.T, Stark, L, Cromer, B, Dummond, C.J, Mezzenga, R. | Deposit date: | 2017-12-07 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (6 Å) | Cite: | Design of ultra-swollen lipidic mesophases for the crystallization of membrane proteins with large extracellular domains. Nat Commun, 9, 2018
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7AW1
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![BU of 7aw1 by Molmil](/molmil-images/mine/7aw1) | MerTK kinase domain in complex with a type 2 inhibitor | Descriptor: | N-(6-(4-(3-(4-((5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide, Tyrosine-protein kinase Mer | Authors: | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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6FA0
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5IZ5
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![BU of 5iz5 by Molmil](/molmil-images/mine/5iz5) | Human GIVD cytosolic phospholipase A2 | Descriptor: | Cytosolic phospholipase A2 delta, SULFATE ION | Authors: | Wang, H, Klein, M.G. | Deposit date: | 2016-03-24 | Release date: | 2016-06-08 | Last modified: | 2016-06-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of Human GIVD Cytosolic Phospholipase A2 Reveals Insights into Substrate Recognition. J.Mol.Biol., 428, 2016
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6F9X
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6FBR
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![BU of 6fbr by Molmil](/molmil-images/mine/6fbr) | Crystal Structure of the Human Retinoid X Receptor DNA-Binding Domain Bound to the Human MEp DR1 Response Element, pH 4.2 | Descriptor: | DI(HYDROXYETHYL)ETHER, DNA (5'-D(*CP*TP*GP*GP*GP*TP*CP*AP*AP*AP*GP*TP*TP*CP*AP*TP*C)-3'), DNA (5'-D(*GP*AP*TP*GP*AP*AP*CP*TP*TP*TP*GP*AP*CP*CP*CP*AP*G)-3'), ... | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Osz, J, Rochel, N. | Deposit date: | 2017-12-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Modulation of RXR-DNA complex assembly by DNA context. Mol. Cell. Endocrinol., 481, 2019
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1H7U
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![BU of 1h7u by Molmil](/molmil-images/mine/1h7u) | hPMS2-ATPgS | Descriptor: | MAGNESIUM ION, MISMATCH REPAIR ENDONUCLEASE PMS2, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | Authors: | Guarne, A, Junop, M.S, Yang, W. | Deposit date: | 2001-07-10 | Release date: | 2001-11-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure and Function of the N-Terminal 40 kDa Fragment of Human Pms2: A Monomeric Ghl ATPase Embo J., 20, 2001
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1QJB
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![BU of 1qjb by Molmil](/molmil-images/mine/1qjb) | 14-3-3 ZETA/PHOSPHOPEPTIDE COMPLEX (MODE 1) | Descriptor: | 14-3-3 PROTEIN ZETA/DELTA, PHOSPHOPEPTIDE | Authors: | Rittinger, K, Budman, J, Xu, J, Volinia, S, Cantley, L.C, Smerdon, S.J, Gamblin, S.J, Yaffe, M.B. | Deposit date: | 1999-06-23 | Release date: | 1999-09-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Analysis of 14-3-3 Phosphopeptide Complexes Identifies a Dual Role for the Nuclear Export Signal of 14-3-3 in Ligand Binding Mol.Cell, 4, 1999
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1QKQ
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1QCW
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![BU of 1qcw by Molmil](/molmil-images/mine/1qcw) | Flavocytochrome B2, ARG289LYS mutant | Descriptor: | FLAVOCYTOCHROME B2, N-SULFO-FLAVIN MONONUCLEOTIDE | Authors: | Mowat, C.G, Durley, R.C.E, Pike, A.D, Barton, J.D, Chen, Z.-W, Mathews, F.S, Lederer, F, Reid, G.A, Chapman, S.K. | Deposit date: | 1999-05-07 | Release date: | 1999-05-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Kinetic and crystallographic studies on the active site Arg289Lys mutant of flavocytochrome b2 (yeast L-lactate dehydrogenase) Biochemistry, 39, 2000
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6FD3
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![BU of 6fd3 by Molmil](/molmil-images/mine/6fd3) | Thiophosphorylated PAK3 kinase domain | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Sorrell, F.J, Wang, D, von Delft, F, Bountra, C, Edwards, A.M, Elkins, J.M. | Deposit date: | 2017-12-21 | Release date: | 2018-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Solution structures and biophysical analysis of full-length group A PAKs reveal they are monomeric and auto-inhibited incis. Biochem.J., 476, 2019
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5IZR
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![BU of 5izr by Molmil](/molmil-images/mine/5izr) | Human GIVD cytosolic phospholipase A2 in complex with Methyl gamma-Linolenyl Fluorophosphonate inhibitor and Terbium Chloride | Descriptor: | Cytosolic phospholipase A2 delta, TERBIUM(III) ION, methyl (R)-(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate | Authors: | Wang, H, Klein, M.G. | Deposit date: | 2016-03-25 | Release date: | 2016-06-08 | Last modified: | 2016-06-22 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structure of Human GIVD Cytosolic Phospholipase A2 Reveals Insights into Substrate Recognition. J.Mol.Biol., 428, 2016
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6FF9
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![BU of 6ff9 by Molmil](/molmil-images/mine/6ff9) | Mutant R280K of human P53 | Descriptor: | Cellular tumor antigen p53, ZINC ION | Authors: | Trovao, F.G, Gomes, A.S, Pinheiro, B, Carvalho, A.L, Romao, M.J. | Deposit date: | 2018-01-04 | Release date: | 2018-04-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Crystal Structure of the R280K Mutant of Human p53 Explains the Loss of DNA Binding. Int J Mol Sci, 19, 2018
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7AGE
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2A3Z
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![BU of 2a3z by Molmil](/molmil-images/mine/2a3z) | Ternary complex of the WH2 domain of WASP with Actin-DNAse I | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | Authors: | Chereau, D, Kerff, F, Dominguez, R. | Deposit date: | 2005-06-27 | Release date: | 2005-11-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.078 Å) | Cite: | Actin-bound structures of Wiskott-Aldrich syndrome protein (WASP)-homology domain 2 and the implications for filament assembly Proc.Natl.Acad.Sci.Usa, 102, 2005
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1QPF
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![BU of 1qpf by Molmil](/molmil-images/mine/1qpf) | FK506 BINDING PROTEIN (12 KDA, HUMAN) COMPLEX WITH L-709,858 | Descriptor: | C32-O-(1-ETHYL-INDOL-5-YL)ASCOMYCIN, PROTEIN (FK506-BINDING PROTEIN), heptyl beta-D-glucopyranoside | Authors: | Becker, J.W, Rotonda, J. | Deposit date: | 1999-05-24 | Release date: | 1999-08-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 32-Indolyl ether derivatives of ascomycin: three-dimensional structures of complexes with FK506-binding protein. J.Med.Chem., 42, 1999
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7AOU
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![BU of 7aou by Molmil](/molmil-images/mine/7aou) | The Fk1 domain of FKBP51 in complex with (2'R,5'S,12'R)-12'-cyclohexyl-2'-[2-(3,4-dimethoxyphenyl)ethyl]-3',19'-dioxa-10',13',16'-triazaspiro[cyclopropane-1,15'- tricyclo[18.3.1.0-5,10]tetracosane]-1'(24'),20',22'-triene-4',11',14',17'-tetrone | Descriptor: | (2'R,5'S,12'R)-12'-cyclohexyl-2'-[2-(3,4-dimethoxyphenyl)ethyl]-3',19'-dioxa-10',13',16'-triazaspiro[cyclopropane-1,15'- tricyclo[18.3.1.0-5,10]tetracosane]-1'(24'),20',22'-triene-4',11',14',17'-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Voll, M.A, Meyners, C, Heymann, T, Merz, S, Purder, P, Bracher, A, Hausch, F. | Deposit date: | 2020-10-15 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Macrocyclic FKBP51 Ligands Define a Transient Binding Mode with Enhanced Selectivity. Angew.Chem.Int.Ed.Engl., 60, 2021
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6FHT
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![BU of 6fht by Molmil](/molmil-images/mine/6fht) | Crystal structure of an artificial phytochrome regulated adenylate/guanylate cyclase in its dark adapted Pr form | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome,Adenylate cyclase, DODECAETHYLENE GLYCOL, ... | Authors: | Etzl, S, Winkler, A. | Deposit date: | 2018-01-15 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-guided design and functional characterization of an artificial red light-regulated guanylate/adenylate cyclase for optogenetic applications. J. Biol. Chem., 293, 2018
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6FD9
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![BU of 6fd9 by Molmil](/molmil-images/mine/6fd9) | Catalytic subunit HisG from Psychrobacter arcticus ATP phosphoribosyltransferase (HisZG ATPPRT) in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, ATP phosphoribosyltransferase | Authors: | Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G. | Deposit date: | 2017-12-22 | Release date: | 2018-10-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase Acs Catalysis, 2018
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6FGI
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![BU of 6fgi by Molmil](/molmil-images/mine/6fgi) | Crystal Structure of BAZ2A bromodomain in complex with 3-amino-2-methylpyridine derivative 2 | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[(3~{S})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine | Authors: | Dalle Vedove, A, Marchand, J.-R, Lolli, G, Caflisch, A. | Deposit date: | 2018-01-10 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.551 Å) | Cite: | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains. ChemMedChem, 13, 2018
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2A8A
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1Q84
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![BU of 1q84 by Molmil](/molmil-images/mine/1q84) | Crystal structure of the mouse acetylcholinesterase-TZ2PA6 anti complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM, Acetylcholinesterase, ... | Authors: | Bourne, Y, Kolb, H.C, Radic, Z, Sharpless, K.B, Taylor, P, Marchot, P. | Deposit date: | 2003-08-20 | Release date: | 2004-02-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Freeze-frame inhibitor captures acetylcholinesterase in a unique conformation. Proc.Natl.Acad.Sci.Usa, 101, 2004
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6FHD
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6FIL
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![BU of 6fil by Molmil](/molmil-images/mine/6fil) | DDR1, 2-[8-(1H-indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide, 1.730A, P212121, Rfree=24.5% | Descriptor: | 2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide, Epithelial discoidin domain-containing receptor 1, IODIDE ION | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | Deposit date: | 2018-01-19 | Release date: | 2018-11-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol., 14, 2019
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5AYZ
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![BU of 5ayz by Molmil](/molmil-images/mine/5ayz) | CRYSTAL STRUCTURE OF HUMAN QUINOLINATE PHOSPHORIBOSYLTRANSFERASE IN COMPLEX WITH THE PRODUCT NICOTINATE MONONUCLEOTIDE | Descriptor: | NICOTINATE MONONUCLEOTIDE, Nicotinate-nucleotide pyrophosphorylase [carboxylating] | Authors: | Youn, H.S, Kim, T.G, Kim, M.K, Kang, G.B, Kang, J.Y, Seo, Y.J, Lee, J.G, An, J.Y, Park, K.R, Lee, Y, Im, Y.J, Lee, J.H, Fukuoka, S.I, Eom, S.H. | Deposit date: | 2015-09-14 | Release date: | 2016-02-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Insights into the Quaternary Catalytic Mechanism of Hexameric Human Quinolinate Phosphoribosyltransferase, a Key Enzyme in de novo NAD Biosynthesis Sci Rep, 6, 2016
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