6MX0
| Crystal structure of human STING apoprotein (G230A, H232R, R293Q) | Descriptor: | CALCIUM ION, Stimulator of interferon genes protein | Authors: | Lesburg, C.A, Siu, T, Ho, T. | Deposit date: | 2018-10-30 | Release date: | 2018-12-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Discovery of a Novel cGAMP Competitive Ligand of the Inactive Form of STING. ACS Med Chem Lett, 10, 2019
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7ALN
| Cryo-EM structure of the divergent actomyosin complex from Plasmodium falciparum Myosin A in the Rigor state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-1, Jasplakinolide, ... | Authors: | Robert-Paganin, J, Xu, X.-P, Swift, M.F, Auguin, D, Robblee, J.P, Lu, H, Fagnant, P.M, Krementsova, E.B, Trybus, K.M, Houdusse, A, Volkmann, N, Hanein, D. | Deposit date: | 2020-10-06 | Release date: | 2021-04-28 | Method: | ELECTRON MICROSCOPY (3.77 Å) | Cite: | The actomyosin interface contains an evolutionary conserved core and an ancillary interface involved in specificity. Nat Commun, 12, 2021
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6N29
| Crystal structure of monomeric von Willebrand Factor D`D3 assembly | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Dong, X, Arndt, J.W, Springer, T.A. | Deposit date: | 2018-11-12 | Release date: | 2019-01-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The von Willebrand factor D'D3 assembly and structural principles for factor VIII binding and concatemer biogenesis. Blood, 133, 2019
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5MB9
| Crystal structure of the eukaryotic ribosome associated complex (RAC), a unique Hsp70/Hsp40 pair | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Gumiero, A, Weyer, F.A, Valentin Gese, G, Lapouge, K, Sinning, I. | Deposit date: | 2016-11-07 | Release date: | 2016-12-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural insights into a unique Hsp70-Hsp40 interaction in the eukaryotic ribosome-associated complex. Nat. Struct. Mol. Biol., 24, 2017
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6V82
| Crystal structure of tryptophan synthase from Chlamydia trachomatis D/UW-3/CX | Descriptor: | SULFATE ION, Tryptophan synthase alpha chain, Tryptophan synthase beta chain, ... | Authors: | Michalska, K, Maltseva, N, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-12-10 | Release date: | 2020-12-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.424 Å) | Cite: | Catalytically impaired TrpA subunit of tryptophan synthase from Chlamydia trachomatis is an allosteric regulator of TrpB. Protein Sci., 30, 2021
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5JZ7
| NGF IN COMPLEX WITH MEDI578 scFv | Descriptor: | Beta-nerve growth factor, MEDI578 scFv, heavy chain, ... | Authors: | Olsson, L.-L, Aagaard, A. | Deposit date: | 2016-05-16 | Release date: | 2017-01-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Engineering the surface properties of a human monoclonal antibody prevents self-association and rapid clearance in vivo. Sci Rep, 6, 2016
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6V90
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7AM2
| Intermediate assembly of the Large subunit from Leishmania major mitochondrial ribosome | Descriptor: | 50S ribosomal protein L13-like protein, ADENOSINE-5'-TRIPHOSPHATE, Acyl carrier protein, ... | Authors: | Soufari, H, Waltz, F, Parrot, C, Bochler, A, Hashem, Y. | Deposit date: | 2020-10-07 | Release date: | 2021-04-28 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of the mature kinetoplastids mitoribosome and insights into its large subunit biogenesis. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Y4U
| Crystal structure of p38 in complex with SR65 | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pentan-3-ylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-23 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK. Eur.J.Med.Chem., 208, 2020
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7AYJ
| Metallo beta-lactamse Vim-1 with a sulfamoyl inhibitor. | Descriptor: | 3-(4-fluorophenyl)-1-sulfamoyl-pyrrole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Farley, A.J.M, Ermolovich, I, Calvopina, K, Rabe, P, Brem, J, Schofield, C.J. | Deposit date: | 2020-11-12 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Structural Basis of Metallo-beta-lactamase Inhibition by N -Sulfamoylpyrrole-2-carboxylates. Acs Infect Dis., 7, 2021
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7PFZ
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6Y5F
| Crystal structure of the envelope glycoprotein prefusion complex of Andes virus - Mutant H953F | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope polyprotein,Envelope polyprotein, PHOSPHATE ION, ... | Authors: | Serris, A, Rey, F.A, Guardado-Calvo, P. | Deposit date: | 2020-02-25 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The Hantavirus Surface Glycoprotein Lattice and Its Fusion Control Mechanism. Cell, 183, 2020
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6P0C
| Human DNA Ligase 1 Bound to an Adenylated, hydroxyl terminated DNA nick in EDTA | Descriptor: | ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), ... | Authors: | Schellenberg, M.J, Tumbale, P.S, Riccio, A.A, Williams, R.S. | Deposit date: | 2019-05-16 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Two-tiered enforcement of high-fidelity DNA ligation. Nat Commun, 10, 2019
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5MNC
| Cationic trypsin in complex with aniline (deuterated sample at 100 K) | Descriptor: | ANILINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2016-12-13 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.916 Å) | Cite: | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin. Angew. Chem. Int. Ed. Engl., 56, 2017
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6Y5V
| Structure of Human Potassium Chloride Transporter KCC3b (S45D/T940D/T997D) in KCl | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier family 12 member 6, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Chi, G, Man, H, Ebenhoch, R, Reggiano, G, Pike, A.C.W, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, DiMaio, F, Duerr, K.L. | Deposit date: | 2020-02-25 | Release date: | 2020-07-15 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (4.08 Å) | Cite: | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters. Embo J., 40, 2021
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7AUO
| Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with PA-InsP8 | Descriptor: | Diphosphoinositol polyphosphate phosphohydrolase DDP1, {[(1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}bis(phosphonic acid) | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2020-11-03 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping. Sci Adv, 7, 2021
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7AUM
| Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with 5-PCF2Am-InsP5 | Descriptor: | (1,1-difluoro-2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid, Diphosphoinositol polyphosphate phosphohydrolase DDP1 | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2020-11-03 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping. Sci Adv, 7, 2021
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6ET4
| HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH NOVEL INHIBITOR | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, ACETIC ACID, CHLORIDE ION, ... | Authors: | Hakansson, M, Walse, B, Gustavsson, A.-L, Lain, S. | Deposit date: | 2017-10-25 | Release date: | 2018-03-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A DHODH inhibitor increases p53 synthesis and enhances tumor cell killing by p53 degradation blockage. Nat Commun, 9, 2018
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6S4A
| Structure of human MTHFD2 in complex with TH9028 | Descriptor: | (2~{S})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{H}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | Authors: | Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | Deposit date: | 2019-06-27 | Release date: | 2021-07-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress. Nat Cancer, 3, 2022
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6P4Q
| Salmonella typhi PltB Homopentamer N29K Mutant with Neu5Ac-alpha-2-3-Gal-beta-1-4-GlcNAc Glycans | Descriptor: | N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Putative pertussis-like toxin subunit | Authors: | Nguyen, T, Milano, S.K, Hillpot, E.C, Yang, Y.A, Song, J. | Deposit date: | 2019-05-28 | Release date: | 2020-03-25 | Last modified: | 2020-08-05 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Salmonella Typhoid Toxin PltB Subunit and Its Non-typhoidal Salmonella Ortholog Confer Differential Host Adaptation and Virulence. Cell Host Microbe, 27, 2020
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8C8U
| Priestia megaterium mupirocin-resistant isoleucyl-tRNA synthetase 2 complexed with mupirocin | Descriptor: | Isoleucine--tRNA ligase, L(+)-TARTARIC ACID, MUPIROCIN, ... | Authors: | Brkic, A, Leibundgut, M, Jablonska, J, Zanki, V, Car, Z, Petrovic Perokovic, V, Gruic-Sovulj, I, Ban, N. | Deposit date: | 2023-01-21 | Release date: | 2023-08-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Antibiotic hyper-resistance in a class I aminoacyl-tRNA synthetase with altered active site signature motif. Nat Commun, 14, 2023
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7AUK
| Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with 5-InsP7 | Descriptor: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, Diphosphoinositol polyphosphate phosphohydrolase DDP1 | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2020-11-03 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping. Sci Adv, 7, 2021
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7AUI
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6N82
| Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02037 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Farnesyl pyrophosphate synthase, ... | Authors: | Park, J, Schilling, M.A, Berghuis, A.M. | Deposit date: | 2018-11-28 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Chirality-Driven Mode of Binding of alpha-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS). J.Med.Chem., 62, 2019
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8C8W
| Priestia megaterium mupirocin hyper-resistant HIGH motif mutant of type 2 isoleucyl-tRNA synthetase complexed with an isoleucyl-adenylate analogue | Descriptor: | D(-)-TARTARIC ACID, Isoleucine--tRNA ligase, N-[ISOLEUCINYL]-N'-[ADENOSYL]-DIAMINOSUFONE, ... | Authors: | Brkic, A, Leibundgut, M, Jablonska, J, Zanki, V, Car, Z, Petrovic Perokovic, V, Ban, N, Gruic-Sovulj, I. | Deposit date: | 2023-01-21 | Release date: | 2023-08-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Antibiotic hyper-resistance in a class I aminoacyl-tRNA synthetase with altered active site signature motif. Nat Commun, 14, 2023
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