7NE1
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![BU of 7ne1 by Molmil](/molmil-images/mine/7ne1) | Structure of the complex between Netrin-1 and its receptor Neogenin | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Robinson, R.A, Griffiths, S.C, van de Haar, L.L, Malinauskas, T, van Battum, E.Y, Zelina, P, Schwab, R.A, Karia, D, Malinauskaite, L, Brignani, S, van den Munkhof, M, Dudukcu, O, De Ruiter, A.A, Van den Heuvel, D.M.A, Bishop, B, Elegheert, J, Aricescu, A.R, Pasterkamp, R.J, Siebold, C. | Deposit date: | 2021-02-02 | Release date: | 2021-03-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Simultaneous binding of Guidance Cues NET1 and RGM blocks extracellular NEO1 signaling. Cell, 184, 2021
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7MQR
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![BU of 7mqr by Molmil](/molmil-images/mine/7mqr) | The insulin receptor ectodomain in complex with four venom hybrid insulins - symmetric conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ... | Authors: | Blakely, A.D, Xiong, X, Kim, J.H, Menting, J, Schafer, I.B, Schubert, H.L, Agrawal, R, Gutmann, T, Delaine, C, Zhang, Y, Artik, G.O, Merriman, A, Eckert, D, Lawrence, M.C, Coskun, U, Fisher, S.J, Forbes, B.E, Safavi-Hemami, H, Hill, C.P, Chou, D.H.C. | Deposit date: | 2021-05-06 | Release date: | 2022-03-16 | Last modified: | 2023-03-29 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Symmetric and asymmetric receptor conformation continuum induced by a new insulin. Nat.Chem.Biol., 18, 2022
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8BS8
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![BU of 8bs8 by Molmil](/molmil-images/mine/8bs8) | Bovine naive ultralong antibody AbD08 collected at 100K | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Heavy chain, Light chain | Authors: | Clarke, J.D, Douangamath, A, Mikolajek, H, Stuart, D.I, Owens, R.J. | Deposit date: | 2022-11-24 | Release date: | 2023-05-24 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | The impact of exchanging the light and heavy chains on the structures of bovine ultralong antibodies. Acta Crystallogr.,Sect.F, 80, 2024
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8BR2
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![BU of 8br2 by Molmil](/molmil-images/mine/8br2) | CryoEM structure of the post-synaptic RAD51 nucleoprotein filament in the presence of ATP and Ca2+ | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*GP*CP*GP*AP*GP*CP*TP*CP*GP*AP*TP*GP*CP*AP*CP*CP*TP*CP*CP*A)-3'), ... | Authors: | Appleby, R, Bollschweiler, D, Pellegrini, L. | Deposit date: | 2022-11-22 | Release date: | 2023-05-03 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | A metal ion-dependent mechanism of RAD51 nucleoprotein filament disassembly. Iscience, 26, 2023
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1W9X
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![BU of 1w9x by Molmil](/molmil-images/mine/1w9x) | Bacillus halmapalus alpha amylase | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ALPHA AMYLASE, CALCIUM ION, ... | Authors: | Davies, G.J, Brzozowski, A.M, Dauter, Z, Rasmussen, M.D, Borchert, T.V, Wilson, K.S. | Deposit date: | 2004-10-20 | Release date: | 2005-02-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of a Bacillus Halmapalus Family 13 Alpha-Amylase, Bha, in Complex with an Acarbose-Derived Nonasaccharide at 2.1 A Resolution Acta Crystallogr.,Sect.D, 61, 2005
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5W1K
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![BU of 5w1k by Molmil](/molmil-images/mine/5w1k) | JUNV GP1 CR1-10 Fab CR1-28 Fab complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CR1-10 Fab heavy chain, ... | Authors: | Raymond, D.D, Clark, L.E, Abraham, J. | Deposit date: | 2017-06-03 | Release date: | 2018-05-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.99 Å) | Cite: | Vaccine-elicited receptor-binding site antibodies neutralize two New World hemorrhagic fever arenaviruses. Nat Commun, 9, 2018
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8B7A
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![BU of 8b7a by Molmil](/molmil-images/mine/8b7a) | Tubulin - maytansinoid - 4 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Boiarska, Z, Perez-Pena, H, Abel, A.-C, Marzullo, P, Alvarez-Bernad, B, Bonato, F, Santini, B, Horvath, D, Lucena-Agell, D, Vasile, F, Sironi, M, Diaz, F.J, Steinmetz, M.O, Prota, A.E, Piaraccini, S, Passarella, D. | Deposit date: | 2022-09-29 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Maytansinol Functionalization: Towards Useful Probes for Studying Microtubule Dynamics. Chemistry, 29, 2023
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7NDP
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![BU of 7ndp by Molmil](/molmil-images/mine/7ndp) | X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001856. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-bromanylspiro[3~{H}-chromene-2,4'-piperidine]-4-one, ... | Authors: | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | Deposit date: | 2021-02-02 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of fragments inducing conformational effects in dynamic proteins using a second-harmonic generation biosensor. Rsc Adv, 11, 2021
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6WRX
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![BU of 6wrx by Molmil](/molmil-images/mine/6wrx) | Crystal structure of computationally designed protein 2DS25.1 in complex with the human Transferrin receptor ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Abraham, J, Coscia, A, Olal, D, Sahtoe, D.D, Baker, D, Clark, L. | Deposit date: | 2020-04-30 | Release date: | 2021-04-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Transferrin receptor targeting by de novo sheet extension. Proc.Natl.Acad.Sci.USA, 118, 2021
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6WRW
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![BU of 6wrw by Molmil](/molmil-images/mine/6wrw) | Crystal structure of computationally designed protein 2DS25.5 in complex with the human Transferrin receptor ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Computationally designed protein 2DS25.5, ... | Authors: | Abraham, J, Coscia, A, Olal, D, Sahtoe, D.D, Baker, D, Clark, L. | Deposit date: | 2020-04-30 | Release date: | 2021-04-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Transferrin receptor targeting by de novo sheet extension. Proc.Natl.Acad.Sci.USA, 118, 2021
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1W8T
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![BU of 1w8t by Molmil](/molmil-images/mine/1w8t) | CBM29-2 mutant K74A complexed with cellulohexaose: Probing the Mechanism of Ligand Recognition by Family 29 Carbohydrate Binding Modules | Descriptor: | NON CATALYTIC PROTEIN 1, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Flint, J, Bolam, D.N, Nurizzo, D, Taylor, E.J, Williamson, M.P, Walters, C, Davies, G.J, Gilbert, H.J. | Deposit date: | 2004-09-28 | Release date: | 2005-03-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Probing the Mechanism of Ligand Recognition in Family 29 Carbohydrate-Binding Modules J.Biol.Chem., 280, 2005
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5W58
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![BU of 5w58 by Molmil](/molmil-images/mine/5w58) | Crystal Complex of Cyclooxygenase-2: (S)-ARN-2508 (a dual COX and FAAH inhibitor) | Descriptor: | (2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xu, S, Goodman, M.C, Banerjee, S, Piomelli, D, Marnett, L.J. | Deposit date: | 2017-06-14 | Release date: | 2018-01-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.267 Å) | Cite: | Dual cyclooxygenase-fatty acid amide hydrolase inhibitor exploits novel binding interactions in the cyclooxygenase active site. J. Biol. Chem., 293, 2018
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1W5U
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![BU of 1w5u by Molmil](/molmil-images/mine/1w5u) | GRAMICIDIN D FROM BACILLUS BREVIS (ETHANOL SOLVATE) | Descriptor: | CHLORIDE ION, ETHANOL, GRAMICIDIN D, ... | Authors: | Glowka, M.L, Olczak, A, Bojarska, J, Szczesio, M, Duax, W.L, Burkhart, B.M, Pangborn, W.A, Langs, D.A, Wawrzak, Z. | Deposit date: | 2004-08-10 | Release date: | 2005-09-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Structure of Gramicidin D-Rbcl Complex at Atomic Resolution from Low-Temperature Synchrotron Data: Interactions of Double-Stranded Gramicidin Channel Contents and Cations with Channel Wall Acta Crystallogr.,Sect.D, 61, 2005
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1VZQ
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![BU of 1vzq by Molmil](/molmil-images/mine/1vzq) | Complex of thrombin with designed inhibitor 7165 | Descriptor: | 4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE, CALCIUM ION, HIRUDIN VARIANT-2, ... | Authors: | Shaerer, K, Morgenthaler, M, Seiler, P, Diederich, F, Banner, D.W, Tschopp, T, Obst-Sander, U. | Deposit date: | 2004-05-24 | Release date: | 2005-06-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Enantiomerically Pure Thrombin Inhibitors for Exploring the Molecular-Recognition Features of the Oxyanion Hole Helv.Chim.Acta, 87, 2004
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7NEV
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![BU of 7nev by Molmil](/molmil-images/mine/7nev) | Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2021-02-05 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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7NDG
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![BU of 7ndg by Molmil](/molmil-images/mine/7ndg) | Cryo-EM structure of the ternary complex between Netrin-1, Neogenin and Repulsive Guidance Molecule B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neogenin, ... | Authors: | Robinson, R.A, Griffiths, S.C, van de Haar, L.L, Malinauskas, T, van Battum, E.Y, Zelina, P, Schwab, R.A, Karia, D, Malinauskaite, L, Brignani, S, van den Munkhof, M, Dudukcu, O, De Ruiter, A.A, Van den Heuvel, D.M.A, Bishop, B, Elegheert, J, Aricescu, A.R, Pasterkamp, R.J, Siebold, C. | Deposit date: | 2021-02-01 | Release date: | 2021-03-31 | Last modified: | 2021-04-28 | Method: | ELECTRON MICROSCOPY (5.98 Å) | Cite: | Simultaneous binding of Guidance Cues NET1 and RGM blocks extracellular NEO1 signaling. Cell, 184, 2021
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7NDV
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![BU of 7ndv by Molmil](/molmil-images/mine/7ndv) | X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001888. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[4-(trifluoromethyl)phenoxy]piperidine, Acetylcholine-binding protein, ... | Authors: | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | Deposit date: | 2021-02-02 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of fragments inducing conformational effects in dynamic proteins using a second-harmonic generation biosensor RSC Advances, 11, 2021
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7NFD
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![BU of 7nfd by Molmil](/molmil-images/mine/7nfd) | Structure of mitoxantrone-bound ABCG2 | Descriptor: | 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3(Fab) heavy chain variable domain, ... | Authors: | Kowal, J, Locher, K, Ni, D, Stahlberg, H. | Deposit date: | 2021-02-06 | Release date: | 2021-04-21 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (3.51 Å) | Cite: | Structural Basis of Drug Recognition by the Multidrug Transporter ABCG2. J.Mol.Biol., 433, 2021
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7MK5
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![BU of 7mk5 by Molmil](/molmil-images/mine/7mk5) | Crystal structure of Escherichia coli ClpP covalently inhibited by clipibicyclene | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-[(1E)-3-{[(2E,4E,6E,8S)-8-hydroxy-4-methyldeca-2,4,6-trienoyl]amino}-3-oxoprop-1-en-1-yl]azete-1(2H)-carboxylic acid, ACETATE ION, ... | Authors: | Culp, E.J, Sychantha, D, Hobson, C, Pawlowski, A.J, Prehna, G, Wright, G.D. | Deposit date: | 2021-04-21 | Release date: | 2022-02-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | ClpP inhibitors are produced by a widespread family of bacterial gene clusters. Nat Microbiol, 7, 2022
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5W6G
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![BU of 5w6g by Molmil](/molmil-images/mine/5w6g) | Human antibody 6649 in complex with influenza hemagglutinin H1 Solomon Islands | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6649 antibody heavy chain, ... | Authors: | Raymond, D.D, Harrison, S.C. | Deposit date: | 2017-06-16 | Release date: | 2017-12-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Conserved epitope on influenza-virus hemagglutinin head defined by a vaccine-induced antibody. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8BBS
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![BU of 8bbs by Molmil](/molmil-images/mine/8bbs) | Structure of AKR1C3 in complex with a bile acid fused tetrazole inhibitor | Descriptor: | (4~{R})-4-[(1~{R},2~{S},5~{R},6~{R},13~{S},14~{S},17~{R},19~{R})-6,14-dimethyl-17-oxidanyl-7,8,9,10-tetrazapentacyclo[11.8.0.0^{2,6}.0^{7,11}.0^{14,19}]henicosa-8,10-dien-5-yl]pentanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Petri, E.T, Skerlova, J, Marinovic, M, Brynda, J, Kugler, M, Skoric, D, Bekic, S, Celic, A.S, Rezacova, P. | Deposit date: | 2022-10-14 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | X-ray structure of human aldo-keto reductase 1C3 in complex with a bile acid fused tetrazole inhibitor: experimental validation, molecular docking and structural analysis. Rsc Med Chem, 14, 2023
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5KZC
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![BU of 5kzc by Molmil](/molmil-images/mine/5kzc) | Crystal structure of an HIV-1 gp120 engineered outer domain with a Man9 glycan at position N276, in complex with broadly neutralizing antibody VRC01 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Engineered outer domain of gp120, VRC01 Fab heavy chain, ... | Authors: | Julien, J.-P, Jardine, J.G, Diwanji, D, Schief, W.R, Wilson, I.A. | Deposit date: | 2016-07-24 | Release date: | 2016-08-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Minimally Mutated HIV-1 Broadly Neutralizing Antibodies to Guide Reductionist Vaccine Design. Plos Pathog., 12, 2016
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8BDF
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![BU of 8bdf by Molmil](/molmil-images/mine/8bdf) | Tubulin-taxane-2a complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F. | Deposit date: | 2022-10-19 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural insight into the stabilization of microtubules by taxanes. Elife, 12, 2023
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8BS7
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![BU of 8bs7 by Molmil](/molmil-images/mine/8bs7) | |
8BNY
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![BU of 8bny by Molmil](/molmil-images/mine/8bny) | Structure of the tetramerization domain of pLS20 conjugation repressor Rco | Descriptor: | CHLORIDE ION, Immunity repressor protein | Authors: | Bernardo, N, Crespo, I, Meijer, W.J.J, Boer, D.R. | Deposit date: | 2022-11-14 | Release date: | 2023-04-19 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.429 Å) | Cite: | A tetramerization domain in prokaryotic and eukaryotic transcription regulators homologous to p53. Acta Crystallogr D Struct Biol, 79, 2023
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