7BRZ
 
 | | Bovine Pancreatic Trypsin with 2-Methyltryptamine (Room Temperature) | | Descriptor: | 2-(2-methyl-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ... | | Authors: | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | | Deposit date: | 2020-03-30 | | Release date: | 2020-08-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
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8A43
 | | Human RNA polymerase I | | Descriptor: | DNA-directed RNA polymerase I subunit RPA1, DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA2, ... | | Authors: | Daiss, J.L, Pilsl, M, Straub, K, Bleckmann, A, Hoecherl, M, Heiss, F.B, Abascal-Palacios, G, Ramsay, E, Tluckova, K, Mars, J.C, Fuertges, T, Bruckmann, A, Rudack, T, Bernecky, C, Lamour, V, Panov, K, Vannini, A, Moss, T, Engel, C. | | Deposit date: | 2022-06-10 | | Release date: | 2022-08-31 | | Last modified: | 2022-11-02 | | Method: | ELECTRON MICROSCOPY (4.09 Å) | | Cite: | The human RNA polymerase I structure reveals an HMG-like docking domain specific to metazoans.
Life Sci Alliance, 5, 2022
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6FLY
 | | Structure of AcmJRL, a mannose binding jacalin related lectin from Ananas comosus, in complex with mannose. | | Descriptor: | Jacalin-like lectin, alpha-D-mannopyranose | | Authors: | Azarkan, M, Herman, R, El Mahyaoui, R, Sauvage, E, Vanden Broeck, A, Charlier, P. | | Deposit date: | 2018-01-29 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.749 Å) | | Cite: | Biochemical and structural characterization of a mannose binding jacalin-related lectin with two-sugar binding sites from pineapple (Ananas comosus) stem.
Sci Rep, 8, 2018
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6VC0
 | | Crystal structure of the horse MLKL pseudokinase domain | | Descriptor: | GLYCEROL, Mixed lineage kinase domain like pseudokinase | | Authors: | Davies, K.A, Czabotar, P.E. | | Deposit date: | 2019-12-19 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.746 Å) | | Cite: | Distinct pseudokinase domain conformations underlie divergent activation mechanisms among vertebrate MLKL orthologues.
Nat Commun, 11, 2020
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6QU9
 | | Fab fragment of an antibody that inhibits polymerisation of alpha-1-antitrypsin | | Descriptor: | FAB 4B12 heavy chain, FAB 4B12 light chain, GLYCEROL, ... | | Authors: | Jagger, A.M, Heyer-Chauhan, N, Lomas, D.A, Irving, J.A. | | Deposit date: | 2019-02-26 | | Release date: | 2020-03-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structural basis for Z alpha 1 -antitrypsin polymerization in the liver.
Sci Adv, 6, 2020
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5KHT
 | | Crystal structure of the N-terminal fragment of tropomyosin isoform Tpm1.1 at 1.5 A resolution | | Descriptor: | DI(HYDROXYETHYL)ETHER, Tropomyosin alpha-1 chain,General control protein GCN4 | | Authors: | Kostyukova, A.S, Krieger, I, Yoon, Y.-H, Tolkatchev, D, Samatey, F.A. | | Deposit date: | 2016-06-15 | | Release date: | 2017-06-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.4964 Å) | | Cite: | Structural destabilization of tropomyosin induced by the cardiomyopathy-linked mutation R21H.
Protein Sci., 27, 2018
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6V9T
 | | Tudor domain of TDRD3 in complex with a small molecule | | Descriptor: | 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, Tudor domain-containing protein 3, UNKNOWN ATOM OR ION | | Authors: | Li, W, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-12-16 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.154 Å) | | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.
Nat Commun, 13, 2022
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6FN8
 | | Domain II of the HUMAN COPPER CHAPERONE FOR SUPEROXIDE DISMUTASE at 1.55 A resolution | | Descriptor: | Copper chaperone for superoxide dismutase, ZINC ION | | Authors: | Sala, F.A, Wright, G.S.A, Antonyuk, S.V, Garratt, R.C, Hasnain, S.S. | | Deposit date: | 2018-02-02 | | Release date: | 2019-01-30 | | Last modified: | 2019-06-19 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Molecular recognition and maturation of SOD1 by its evolutionarily destabilised cognate chaperone hCCS.
Plos Biol., 17, 2019
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5KI4
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6FNW
 | | Structure of a volume-regulated anion channel of the LRRC8 family | | Descriptor: | 1,2-ETHANEDIOL, Volume-regulated anion channel subunit LRRC8A | | Authors: | Deneka, D, Sawicka, M, Lam, A.K.M, Paulino, C, Dutzler, R. | | Deposit date: | 2018-02-05 | | Release date: | 2018-05-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of a volume-regulated anion channel of the LRRC8 family.
Nature, 558, 2018
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6G2J
 | | Mouse mitochondrial complex I in the active state | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Agip, A.N.A, Blaza, J.N, Bridges, H.R, Viscomi, C, Rawson, S, Muench, S.P, Hirst, J. | | Deposit date: | 2018-03-23 | | Release date: | 2018-06-06 | | Last modified: | 2021-06-02 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures of complex I from mouse heart mitochondria in two biochemically defined states.
Nat. Struct. Mol. Biol., 25, 2018
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5JPA
 | | Hexameric HIV-1 CA H12Y mutant | | Descriptor: | Capsid Protein P24 | | Authors: | Jacques, D.A, James, L.C. | | Deposit date: | 2016-05-03 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis.
Nature, 536, 2016
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6QVY
 | | The Transcriptional Regulator PrfA-A94V mutant from Listeria Monocytogenes | | Descriptor: | ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, SODIUM ION | | Authors: | Hall, M, Grundstrom, C, Hansen, S, Brannstrom, K, Johansson, J, Sauer-Eriksson, A.E. | | Deposit date: | 2019-03-05 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.686 Å) | | Cite: | A Novel Growth-Based Selection Strategy Identifies New Constitutively Active Variants of the Major Virulence Regulator PrfA in Listeria monocytogenes.
J.Bacteriol., 202, 2020
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6C0R
 | | Crystal structure of HIV-1 K103N/Y181C mutant reverse transcriptase in complex with non-nucleoside inhibitor 25a | | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | | Authors: | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | | Deposit date: | 2018-01-02 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.049 Å) | | Cite: | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018
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5K53
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7ZM9
 | | Ketosynthase domain 3 of Brevibacillus Brevis orphan BGC11 | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Putative polyketide synthase | | Authors: | Tittes, Y.U, Herbst, D.A, Jakob, R.P, Maier, T. | | Deposit date: | 2022-04-19 | | Release date: | 2022-09-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | The structure of a polyketide synthase bimodule core.
Sci Adv, 8, 2022
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6FQB
 | | MurT/GatD peptidoglycan amidotransferase complex from Streptococcus pneumoniae R6 | | Descriptor: | Cobyric acid synthase, GLUTAMINE, Mur ligase family protein | | Authors: | Morlot, C, Contreras-Martel, C, Leisico, F, Straume, D, Peters, K, Hegnar, O.A, Simon, N, Villard, A.M, Breukink, E, Gravier-Pelletier, C, Le Corre, L, Vollmer, W, Pietrancosta, N, Havarstein, L.S, Zapun, A. | | Deposit date: | 2018-02-13 | | Release date: | 2018-08-22 | | Last modified: | 2018-11-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of the essential peptidoglycan amidotransferase MurT/GatD complex from Streptococcus pneumoniae.
Nat Commun, 9, 2018
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4YLU
 | | X-ray structure of MERS-CoV nsp5 protease bound with a non-covalent inhibitor | | Descriptor: | ACETATE ION, N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}propanamide, ORF1a protein | | Authors: | Tomar, S, Mesecar, A.D. | | Deposit date: | 2015-03-05 | | Release date: | 2015-06-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Ligand-induced Dimerization of Middle East Respiratory Syndrome (MERS) Coronavirus nsp5 Protease (3CLpro): IMPLICATIONS FOR nsp5 REGULATION AND THE DEVELOPMENT OF ANTIVIRALS.
J.Biol.Chem., 290, 2015
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6QMO
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8UFO
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6C27
 | | SAM-III riboswitch ON-state | | Descriptor: | COBALT HEXAMMINE(III), SAM-III riboswitch | | Authors: | Grigg, J.C, Price, I.R, Ke, A. | | Deposit date: | 2018-01-07 | | Release date: | 2019-01-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3.601 Å) | | Cite: | Evidence for two-tiered conformation selection in the SAM-III riboswitch
To Be Published
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4YBZ
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7ZJP
 | | Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 | | Descriptor: | 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid, SULFATE ION, Transcriptional enhancer factor TEF-1 | | Authors: | Freire, F, Heinrich, T, Petersson, C, Schneider, R, Garg, S, Schwarz, D, Gunera, J, Seshire, A, Koetzner, L, Schlesiger, S, Musil, D, Schilke, H, Doerfel, B, Diehl, P, Boepple, P, Lemos, A.R, Sousa, P.M.F, Freire, F, Bandeiras, T.M, Carswell, E, Pearson, N, Sirohi, S, Hooker, M, Trivier, E, Broome, R, Balsiger, A, Crowden, A, Dillon, C, Wienke, D. | | Deposit date: | 2022-04-11 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 .
J.Med.Chem., 65, 2022
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7TD8
 | | Integrin alaphIIBbeta3 complex with Tirofiban | | 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: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | Deposit date: | 2021-12-30 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7BNO
 | | Open conformation of D614G SARS-CoV-2 spike with 2 Erect RBDs | | 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: | Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J. | | Deposit date: | 2021-01-22 | | Release date: | 2021-02-03 | | Last modified: | 2021-03-10 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | The effect of the D614G substitution on the structure of the spike glycoprotein of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 118, 2021
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