6SEJ
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![BU of 6sej by Molmil](/molmil-images/mine/6sej) | Structure of a functional monomeric properdin lacking TSR3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Properdin, alpha-D-mannopyranose, ... | Authors: | Pedersen, D.V, Andersen, G.R. | Deposit date: | 2019-07-30 | Release date: | 2019-08-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.501 Å) | Cite: | Structural Basis for Properdin Oligomerization and Convertase Stimulation in the Human Complement System. Front Immunol, 10, 2019
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6Y0Z
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![BU of 6y0z by Molmil](/molmil-images/mine/6y0z) | X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant Q126K | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D. | Deposit date: | 2020-02-10 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts Crystals, 11, 2021
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8H24
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![BU of 8h24 by Molmil](/molmil-images/mine/8h24) | Leucine-rich alpha-2-glycoprotein 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich alpha-2-glycoprotein, SULFATE ION | Authors: | Won, S.Y, Park, B.S, Lee, D.S, Kim, H.M, Han, A, Yang, J. | Deposit date: | 2022-10-04 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of LRG1 and the functional significance of LRG1 glycan for LPHN2 activation. Exp.Mol.Med., 55, 2023
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6YMK
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![BU of 6ymk by Molmil](/molmil-images/mine/6ymk) | Crystal structure of the SAM-SAH riboswitch with AMP | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, Chains: A,C,F,I,M,O, Chains: B,D,G,J,N,P, ... | Authors: | Huang, L, Lilley, D.M.J. | Deposit date: | 2020-04-08 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Crystal structure and ligand-induced folding of the SAM/SAH riboswitch. Nucleic Acids Res., 48, 2020
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5MTF
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![BU of 5mtf by Molmil](/molmil-images/mine/5mtf) | A modular route to novel potent and selective inhibitors of rhomboid intramembrane proteases | Descriptor: | CHLORIDE ION, Rhomboid protease GlpG, inhibitor, ... | Authors: | Ticha, A, Stanchev, S, Vinothkumar, K.R, Mikles, D.C, Pachl, P, Svehlova, K, Nguyen, M.T.N, Verhelst, S.H.L, Johnson, D, Bachovchin, D, Lepsik, M, Majer, P, Strisovsky, K. | Deposit date: | 2017-01-09 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | General and Modular Strategy for Designing Potent, Selective, and Pharmacologically Compliant Inhibitors of Rhomboid Proteases. Cell Chem Biol, 24, 2017
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8EKK
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8EKM
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6P0I
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![BU of 6p0i by Molmil](/molmil-images/mine/6p0i) | Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds. | Descriptor: | 1,2-ETHANEDIOL, 4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid, ACETATE ION, ... | Authors: | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O. | Deposit date: | 2019-05-17 | Release date: | 2020-03-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases. Proc.Natl.Acad.Sci.USA, 117, 2020
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6P0L
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![BU of 6p0l by Molmil](/molmil-images/mine/6p0l) | Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds. | Descriptor: | 4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O. | Deposit date: | 2019-05-17 | Release date: | 2020-03-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases. Proc.Natl.Acad.Sci.USA, 117, 2020
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8CPK
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5MIH
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![BU of 5mih by Molmil](/molmil-images/mine/5mih) | Crystal structure of the lectin LecA from Pseudomonas aeruginosa in complex with a phenyl-epoxy-galactopyranoside | Descriptor: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, PA-I galactophilic lectin, ... | Authors: | Wagner, S, Hauk, D, Hofmann, M, Joachim, I, Sommer, R, Muller, R, Imberty, A, Varrot, A, Titz, A. | Deposit date: | 2016-11-28 | Release date: | 2017-10-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Covalent Lectin Inhibition and Application in Bacterial Biofilm Imaging. Angew. Chem. Int. Ed. Engl., 56, 2017
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8EKL
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7B4U
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![BU of 7b4u by Molmil](/molmil-images/mine/7b4u) | Broadly neutralizing DARPin bnD.2 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505) | Descriptor: | Broadly neutralizing DARPin bnD.2, CALCIUM ION, HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505) | Authors: | Friedrich, N, Stiegeler, E, Glogl, M, Lemmin, T, Hansen, S, Kadelka, C, Wu, Y, Ernst, P, Maliqi, L, Foulkes, C, Morin, M, Eroglu, M, Liechti, T, Ivan, B, Reinberg, T, Schaefer, J, Karakus, U, Ursprung, S, Mann, A, Rusert, P, Kouyos, R.D, Robinson, J.A, Gunthard, H.F, Pluckthun, A, Trkola, A. | Deposit date: | 2020-12-02 | Release date: | 2021-11-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization. Nat Commun, 12, 2021
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7B4V
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![BU of 7b4v by Molmil](/molmil-images/mine/7b4v) | Broadly neutralizing DARPin bnD.2 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505) | Descriptor: | Broadly neutralizing DARPin bnD.2, CHLORIDE ION, HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505), ... | Authors: | Friedrich, N, Stiegeler, E, Glogl, M, Lemmin, T, Hansen, S, Kadelka, C, Wu, Y, Ernst, P, Maliqi, L, Foulkes, C, Morin, M, Eroglu, M, Liechti, T, Ivan, B, Reinberg, T, Schaefer, J, Karakus, U, Ursprung, S, Mann, A, Rusert, P, Kouyos, R.D, Robinson, J.A, Gunthard, H.F, Pluckthun, A, Trkola, A. | Deposit date: | 2020-12-02 | Release date: | 2021-11-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization. Nat Commun, 12, 2021
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6MZ0
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![BU of 6mz0 by Molmil](/molmil-images/mine/6mz0) | Crystal structure of Tdp1 catalytic domain in complex with compound XZ530 | Descriptor: | 1,2-ETHANEDIOL, 5-hydroxypyrazine-2,3-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-11-02 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.969 Å) | Cite: | Structure of Tdp1 catalytic domain in complex with compound XZ530 To Be Published
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8COH
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![BU of 8coh by Molmil](/molmil-images/mine/8coh) | Structure of the complement C5 specific nanobody TPP-3444 | Descriptor: | CITRIC ACID, MANGANESE (II) ION, Nanobody TPP-3444 | Authors: | Pedersen, D.V, Andersen, G.R. | Deposit date: | 2023-02-28 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Characterization of the bispecific VHH antibody gefurulimab (ALXN1720) targeting complement component 5, and designed for low volume subcutaneous administration. Mol.Immunol., 165, 2023
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6N0R
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![BU of 6n0r by Molmil](/molmil-images/mine/6n0r) | Crystal structure of Tdp1 catalytic domain in complex with compound XZ572 | Descriptor: | 1,2-ETHANEDIOL, 4-(methylamino)benzene-1,2-dicarboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-11-07 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.544 Å) | Cite: | Crystal structure of Tdp1 catalytic domain To Be Published
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6UT0
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![BU of 6ut0 by Molmil](/molmil-images/mine/6ut0) | Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Vigers, G.P, Smith, D.J. | Deposit date: | 2019-10-29 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer. J.Med.Chem., 63, 2020
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8EO7
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![BU of 8eo7 by Molmil](/molmil-images/mine/8eo7) | Crystal structure of metagenomic beta-lactamase LRA-5 Y69Q/V166E mutant at 2.15 Angstrom resolution | Descriptor: | beta-lactamase | Authors: | Power, P, D'Amico Gonzalez, G, Centron, D, Gutkind, G, Handelsman, J, Klinke, S. | Deposit date: | 2022-10-02 | Release date: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Playing beta-Lactamase Evolution: Metagenomic Class A beta-Lactamase LRA-5 is an Inactive Enzyme Capable of Rendering an Active beta-Lactamase by Introduction of Y69Q and V166E Substitutions to be published
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1BD6
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![BU of 1bd6 by Molmil](/molmil-images/mine/1bd6) | 7-FE FERREDOXIN FROM BACILLUS SCHLEGELII, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | 7-FE FERREDOXIN, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER | Authors: | Aono, S, Bentrop, D, Bertini, I, Donaire, A, Luchinat, C, Niikura, Y, Rosato, A. | Deposit date: | 1998-05-06 | Release date: | 1998-06-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the oxidized Fe7S8 ferredoxin from the thermophilic bacterium Bacillus schlegelii by 1H NMR spectroscopy. Biochemistry, 37, 1998
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6Y10
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![BU of 6y10 by Molmil](/molmil-images/mine/6y10) | X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant Q126H | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, R-specific alcohol dehydrogenase | Authors: | Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D. | Deposit date: | 2020-02-10 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts Crystals, 11, 2021
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7B1W
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![BU of 7b1w by Molmil](/molmil-images/mine/7b1w) | Crystal structure of plastidial ribulose epimerase RPE1 from the model alga Chlamydomonas reinhardtii | Descriptor: | Ribulose-phosphate 3-epimerase, ZINC ION | Authors: | Henri, J, Zaffagnini, M, Tedesco, D, Crozet, P, Lemaire, S.D. | Deposit date: | 2020-11-25 | Release date: | 2021-12-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.935 Å) | Cite: | Characterization of chloroplast ribulose-5-phosphate-3-epimerase from the microalga Chlamydomonas reinhardtii. Plant Physiol., 2023
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6XA9
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![BU of 6xa9 by Molmil](/molmil-images/mine/6xa9) | SARS CoV-2 PLpro in complex with ISG15 C-terminal domain propargylamide | Descriptor: | GLYCEROL, ISG15 CTD-propargylamide, Non-structural protein 3, ... | Authors: | Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D. | Deposit date: | 2020-06-04 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2. Embo J., 39, 2020
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5MSF
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![BU of 5msf by Molmil](/molmil-images/mine/5msf) | MS2 PROTEIN CAPSID/RNA COMPLEX | Descriptor: | 5'-R(*CP*CP*GP*GP*AP*GP*GP*AP*UP*CP*AP*CP*CP*AP*CP*GP*GP*G)-3', MS2 PROTEIN CAPSID | Authors: | Rowsell, S, Stonehouse, N.J, Convery, M.A, Adams, C.J, Ellington, A.D, Hirao, I, Peabody, D.S, Stockley, P.G, Phillips, S.E.V. | Deposit date: | 1998-05-15 | Release date: | 1998-11-11 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of a series of RNA aptamers complexed to the same protein target. Nat.Struct.Biol., 5, 1998
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6V96
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![BU of 6v96 by Molmil](/molmil-images/mine/6v96) | Agrobacterium tumefaciens ADP-Glucose pyrophosphorylase-S72E | Descriptor: | CITRIC ACID, GLYCEROL, Glucose-1-phosphate adenylyltransferase | Authors: | Zheng, Y, Hussien, R, Alghamdi, M.A, Ballicora, M.A, Liu, D. | Deposit date: | 2019-12-13 | Release date: | 2020-12-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Site-directed mutagenesis of Serine-72 reveals the location of the fructose 6-phosphate regulatory site of the Agrobacterium tumefaciens ADP-glucose pyrophosphorylase. Protein Sci., 31, 2022
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