7ZSD
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![BU of 7zsd by Molmil](/molmil-images/mine/7zsd) | cryo-EM structure of omicron spike in complex with de novo designed binder, local | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, de novo designed binder | Authors: | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | Deposit date: | 2022-05-06 | Release date: | 2023-03-01 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
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7ZSS
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![BU of 7zss by Molmil](/molmil-images/mine/7zss) | cryo-EM structure of D614 spike in complex with de novo designed binder | 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: | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | Deposit date: | 2022-05-08 | Release date: | 2023-03-01 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (2.63 Å) | Cite: | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
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8A82
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![BU of 8a82 by Molmil](/molmil-images/mine/8a82) | Fe(II)/aKG-dependent halogenase OocPQ | Descriptor: | Cupin_8 domain-containing protein, FE (III) ION, GLYCEROL, ... | Authors: | Fraley, A.E, Meoded, R.A, Schmalhofer, M, Bergande, C, Groll, M, Piel, J. | Deposit date: | 2022-06-21 | Release date: | 2023-03-08 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Heterocomplex structure of a polyketide synthase component involved in modular backbone halogenation. Structure, 31, 2023
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476D
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![BU of 476d by Molmil](/molmil-images/mine/476d) | CALCIUM FORM OF B-DNA UNDECAMER GCGAATTCGCG | Descriptor: | 5'-D(*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', CALCIUM ION | Authors: | Minasov, G, Tereshko, V, Egli, M. | Deposit date: | 1999-06-25 | Release date: | 1999-07-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Atomic-resolution crystal structures of B-DNA reveal specific influences of divalent metal ions on conformation and packing. J.Mol.Biol., 291, 1999
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4A4K
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![BU of 4a4k by Molmil](/molmil-images/mine/4a4k) | |
2JSI
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![BU of 2jsi by Molmil](/molmil-images/mine/2jsi) | 11-23 obestatin fragment in DPC/SDS micellar solution | Descriptor: | Appetite-regulating hormone, Obestatin | Authors: | D'Ursi, A.M, Scrima, M, Esposito, C, Campiglia, P. | Deposit date: | 2007-07-05 | Release date: | 2008-10-21 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | Obestatin conformational features: a strategy to unveil obestatin's biological role? Biochem.Biophys.Res.Commun., 363, 2007
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4A8C
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![BU of 4a8c by Molmil](/molmil-images/mine/4a8c) | Symmetrized cryo-EM reconstruction of E. coli DegQ 12-mer in complex with a binding peptide | Descriptor: | PERIPLASMIC PH-DEPENDENT SERINE ENDOPROTEASE DEGQ | Authors: | Malet, H, Canellas, F, Sawa, J, Yan, J, Thalassinos, K, Ehrmann, M, Clausen, T, Saibil, H.R. | Deposit date: | 2011-11-20 | Release date: | 2012-01-11 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7.5 Å) | Cite: | Newly Folded Substrates Inside the Molecular Cage of the Htra Chaperone Degq Nat.Struct.Mol.Biol., 19, 2012
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4YUP
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![BU of 4yup by Molmil](/molmil-images/mine/4yup) | Multiconformer fixed-target X-ray free electron (XFEL) model of CypA at 273 K | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | Deposit date: | 2015-03-18 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography. Elife, 4, 2015
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4AHY
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![BU of 4ahy by Molmil](/molmil-images/mine/4ahy) | Flo5A cocrystallized with 3 mM GdAc3 | Descriptor: | CHLORIDE ION, FLOCCULATION PROTEIN FLO5, GADOLINIUM ATOM | Authors: | Veelders, M, Essen, L.-O. | Deposit date: | 2012-02-07 | Release date: | 2012-10-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Complex Gadolinium-Oxo Clusters Formed Along Concave Protein Surfaces. Chembiochem, 13, 2012
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4AA2
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![BU of 4aa2 by Molmil](/molmil-images/mine/4aa2) | Crystal structure of ANCE in complex with bradykinin potentiating peptide b | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, BRADYKININ-POTENTIATING PEPTIDE B, ... | Authors: | Isaac, R.E, Akif, M, Schwager, S.L.U, Masuyer, G, Sturrock, E.D, Acharya, K.R. | Deposit date: | 2011-11-30 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural Basis of Peptide Recognition by the Angiotensin-I Converting Enzyme Homologue Ance from Drosophila Melanogaster FEBS J., 279, 2012
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4A00
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![BU of 4a00 by Molmil](/molmil-images/mine/4a00) | Structure of an engineered aspartate aminotransferase | Descriptor: | ALANYL-PYRIDOXAL-5'-PHOSPHATE, ASPARTATE AMINOTRANSFERASE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Fernandez, F.J, deVries, D, Pena-Soler, E, Coll, M, Christen, P, Gehring, H, Vega, M.C. | Deposit date: | 2011-09-06 | Release date: | 2011-12-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structure and Mechanism of a Cysteine Sulfinate Desulfinase Engineered on the Aspartate Aminotransferase Scaffold. Biocim.Biophys.Acta, 1824, 2011
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2JUR
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![BU of 2jur by Molmil](/molmil-images/mine/2jur) | |
4AFL
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![BU of 4afl by Molmil](/molmil-images/mine/4afl) | The crystal structure of the ING4 dimerization domain reveals the functional organization of the ING family of chromatin binding proteins. | Descriptor: | INHIBITOR OF GROWTH PROTEIN 4 | Authors: | Culurgioni, S, Munoz, I.G, Moreno, A, Palacios, A, Villate, M, Palmero, I, Montoya, G, Blanco, F.J. | Deposit date: | 2012-01-19 | Release date: | 2012-02-22 | Last modified: | 2012-07-11 | Method: | X-RAY DIFFRACTION (2.275 Å) | Cite: | Crystal Structure of Inhibitor of Growth 4 (Ing4) Dimerization Domain Reveals Functional Organization of Ing Family of Chromatin-Binding Proteins. J.Biol.Chem., 287, 2012
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7ZX1
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![BU of 7zx1 by Molmil](/molmil-images/mine/7zx1) | Crystal structure of Pol theta polymerase domain in complex with compound 22 | Descriptor: | (2~{S},3~{R})-1-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]-~{N}-methyl-~{N}-(3-methylphenyl)-3-oxidanyl-pyrrolidine-2-carboxamide, 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*(DDG))-3'), ... | Authors: | Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A. | Deposit date: | 2022-05-19 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.829 Å) | Cite: | Discovery, Characterization, and Structure-Based Optimization of Small-Molecule In Vitro and In Vivo Probes for Human DNA Polymerase Theta. J.Med.Chem., 65, 2022
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401D
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4AL1
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![BU of 4al1 by Molmil](/molmil-images/mine/4al1) | Crystal structure of Human PS-1 GSH-analog complex | Descriptor: | L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine, PALMITIC ACID, PROSTAGLANDIN E SYNTHASE, ... | Authors: | Sjogren, T, Nord, J, Ek, M, Johansson, P, Liu, G, Geschwindner, S. | Deposit date: | 2012-02-29 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of Microsomal Prostaglandin E2 Synthase Provides Insight Into Diversity in the Mapeg Superfamily. Proc.Natl.Acad.Sci.USA, 110, 2013
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4AM9
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![BU of 4am9 by Molmil](/molmil-images/mine/4am9) | CRYSTAL STRUCTURE OF THE YERSINIA ENTEROCOLITICA TYPE III SECRETION CHAPERONE SYCD IN COMPLEX WITH A PEPTIDE OF THE TRANSLOCATOR YOPD | Descriptor: | (R,R)-2,3-BUTANEDIOL, CHAPERONE SYCD, SULFATE ION, ... | Authors: | Schreiner, M, Niemann, H.H. | Deposit date: | 2012-03-08 | Release date: | 2012-05-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of the Yersinia Enterocolitica Type III Secretion Chaperone Sycd in Complex with a Peptide of the Minor Translocator Yopd Bmc Struct.Biol., 12, 2012
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4A5O
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![BU of 4a5o by Molmil](/molmil-images/mine/4a5o) | Crystal structure of Pseudomonas aeruginosa N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) | Descriptor: | BIFUNCTIONAL PROTEIN FOLD, DI(HYDROXYETHYL)ETHER, GLYCEROL | Authors: | Eadsforth, T.C, Gardiner, M, Maluf, F.V, McElroy, S, James, D, Frearson, J, Gray, D, Hunter, W.N. | Deposit date: | 2011-10-26 | Release date: | 2011-11-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Assessment of Pseudomonas Aeruginosa N(5),N(10)-Methylenetetrahydrofolate Dehydrogenase - Cyclohydrolase as a Potential Antibacterial Drug Target. Plos One, 7, 2012
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2JX3
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466D
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![BU of 466d by Molmil](/molmil-images/mine/466d) | DISORDER AND TWIN REFINEMENT OF RNA HEPTAMER DOUBLE HELIX | Descriptor: | RNA (5'-R(*GP*GP*GP*GP*CP*UP*A)-3'), RNA (5'-R(*UP*AP*GP*CP*UP*CP*C)-3'), SODIUM ION, ... | Authors: | Mueller, U, Muller, Y.A, Herbst-Irmer, R, Sprinzl, M, Heinemann, U. | Deposit date: | 1999-04-14 | Release date: | 1999-08-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Disorder and twin refinement of RNA heptamer double helices. Acta Crystallogr.,Sect.D, 55, 1999
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4A16
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![BU of 4a16 by Molmil](/molmil-images/mine/4a16) | Structure of mouse Acetylcholinesterase complex with Huprine derivative | Descriptor: | (1-{4-[(7S,11S)-12-AMINO-3-CHLORO-6,7,10,11-TETRAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-9-YL]BUTYL}-1H-1,2,3-TRIAZOL-4-YL)METHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Carletti, E, Colletier, J.P, Nachon, F, Weik, M, Ronco, C, Jean, L, Renard, P.Y. | Deposit date: | 2011-09-14 | Release date: | 2012-03-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Huprine Derivatives as Sub-Nanomolar Human Acetylcholinesterase Inhibitors: From Rational Design to Validation by X-Ray Crystallography. Chemmedchem, 7, 2012
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4AKJ
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![BU of 4akj by Molmil](/molmil-images/mine/4akj) | Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin | Descriptor: | CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ... | Authors: | Steensgaard, D.B, Schluckebier, G, Strauss, H.M, Norrman, M, Thomsen, J.K, Friderichsen, A.V, Havelund, S, Jonassen, I. | Deposit date: | 2012-02-23 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Ligand Controlled Assembly of Hexamers, Dihexamers, and Linear Multihexamer Structures by the Engineered Acylated Insulin Degludec. Biochemistry, 52, 2013
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2PJ4
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![BU of 2pj4 by Molmil](/molmil-images/mine/2pj4) | CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B [((R)-Benzyloxycarbonylamino-cyclohexyl-methyl)-hydroxy-phosphinoyloxy]-(3-guanidino-phenyl)-acetic acid COMPLEX | Descriptor: | (5R,6R,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-5-CYCLOHEXYL-6-HYDROXY-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE, Carboxypeptidase B, ZINC ION | Authors: | Adler, M, Whitlow, M. | Deposit date: | 2007-04-15 | Release date: | 2008-01-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of potent selective peptide mimetics bound to carboxypeptidase B. Acta Crystallogr.,Sect.D, 64, 2008
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460D
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2PJ9
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![BU of 2pj9 by Molmil](/molmil-images/mine/2pj9) | CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-Aminomethyl-phenyl)-3-{[(R)-1-(benzo[1,2,5]thiadiazole-4-sulfonylamino)-2-methyl-propyl]-hydroxy-phosphinoyl}-propionic acid COMPLEX | Descriptor: | (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(S)-{(1R)-1-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID, Carboxypeptidase B, ZINC ION | Authors: | Adler, M, Whitlow, M. | Deposit date: | 2007-04-15 | Release date: | 2008-01-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structures of potent selective peptide mimetics bound to carboxypeptidase B. Acta Crystallogr.,Sect.D, 64, 2008
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