6QCK
 
 | | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with FB262 | | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, 2-[2-(1,3-benzodioxol-2-yl)ethyl]benzoic acid, DIMETHYL SULFOXIDE, ... | | Authors: | Bertoletti, N, Marchais-Oberwinkler, S, Heine, A, Klebe, G. | | Deposit date: | 2018-12-28 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Mutational and structural studies uncover crucial amino acids determining activity and stability of 17 beta-HSD14.
J.Steroid Biochem.Mol.Biol., 189, 2019
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8B23
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6QCM
 | | Cryo em structure of the Listeria stressosome | | Descriptor: | RsbR protein, RsbR protein,RsbR protein, RsbS protein | | Authors: | Williams, A.H, Redzej, A, Waksman, G, Cossart, P. | | Deposit date: | 2018-12-28 | | Release date: | 2019-08-21 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.21 Å) | | Cite: | The cryo-electron microscopy supramolecular structure of the bacterial stressosome unveils its mechanism of activation.
Nat Commun, 10, 2019
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8B21
 | | Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 0-60-seconds post reaction initiation with Na+ | | Descriptor: | DI(HYDROXYETHYL)ETHER, DODECYL-BETA-D-MALTOSIDE, K(+)-stimulated pyrophosphate-energized sodium pump, ... | | Authors: | Strauss, J, Vidilaseris, K, Goldman, A. | | Deposit date: | 2022-09-12 | | Release date: | 2024-01-17 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases.
Embo Rep., 25, 2024
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6NLO
 | | Human ABCC6 NBD1 H812A in Apo state | | Descriptor: | Multidrug resistance-associated protein 6, SULFATE ION | | Authors: | Zheng, A, Thibodeau, P.H. | | Deposit date: | 2019-01-08 | | Release date: | 2020-01-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.85021973 Å) | | Cite: | Structures of human ABCC6 NBD1 and NBD2
To be published
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1GA6
 | | CRYSTAL STRUCTURE ANALYSIS OF PSCP (PSEUDOMONAS SERINE-CARBOXYL PROTEINASE) COMPLEXED WITH A FRAGMENT OF TYROSTATIN (THIS ENZYME RENAMED "SEDOLISIN" IN 2003) | | Descriptor: | ACETATE ION, CALCIUM ION, FRAGMENT OF TYROSTATIN, ... | | Authors: | Wlodawer, A, Li, M, Dauter, Z, Gustchina, A, Uchida, K. | | Deposit date: | 2000-11-29 | | Release date: | 2000-12-13 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Carboxyl proteinase from Pseudomonas defines a novel family of subtilisin-like enzymes.
Nat.Struct.Biol., 8, 2001
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6NXJ
 | | Flavin Transferase ApbE from Vibrio cholerae, H257G mutant | | Descriptor: | FAD:protein FMN transferase, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION | | Authors: | Osipiuk, J, Fang, X, Chakravarthy, S, Juarez, O, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-02-08 | | Release date: | 2019-03-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Conserved residue His-257 ofVibrio choleraeflavin transferase ApbE plays a critical role in substrate binding and catalysis.
J.Biol.Chem., 294, 2019
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2JE5
 | | STRUCTURAL AND MECHANISTIC BASIS OF PENICILLIN BINDING PROTEIN INHIBITION BY LACTIVICINS | | Descriptor: | (2E)-2-{[(2S)-2-(ACETYLAMINO)-2-CARBOXYETHOXY]IMINO}PENTANEDIOIC ACID, CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, ... | | Authors: | Macheboeuf, P, Fisher, D.S, Brown, T.J, Zervosen, A, Luxen, A, Joris, B, Dessen, A, Schofield, C.J. | | Deposit date: | 2007-01-15 | | Release date: | 2007-08-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and Mechanistic Basis of Penicillin-Binding Protein Inhibition by Lactivicins
Nat.Chem.Biol., 3, 2007
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5MMQ
 | | ABA RECEPTOR FROM CITRUS, CSPYL1 | | Descriptor: | CSPYL1 | | Authors: | Moreno-Alvero, M, Yunta, C, Gonzalez-Guzman, M, Arbona, V, Granell, A, Martinez-Ripoll, M, Infantes, L, Rodriguez, P.L. | | Deposit date: | 2016-12-12 | | Release date: | 2017-08-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor.
Mol Plant, 10, 2017
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1KZ0
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1L1P
 | | Solution Structure of the PPIase Domain from E. coli Trigger Factor | | Descriptor: | trigger factor | | Authors: | Kozlov, G, Trempe, J.-F, Perreault, A, Wong, M, Denisov, A, Ghandi, S, Gehring, K, Ekiel, I, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2002-02-19 | | Release date: | 2003-06-24 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the Closed Form of a Peptidyl-Prolyl Isomerase Reveals the Mechanism of Protein Folding
To be Published
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3P1I
 | | Ligand binding domain of human ephrin type-B receptor 3 | | Descriptor: | CHLORIDE ION, Ephrin type-B receptor 3, SULFATE ION | | Authors: | Walker, J.R, Yermekbayeva, L, Seitova, A, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-09-30 | | Release date: | 2011-01-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Ligand Binding Domain of Human Ephb3
To be Published
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6QIQ
 | | Crystal structure of seleno-derivative CAG repeats with synthetic CMBL3a compound | | Descriptor: | CMBL3a, RNA (5'-R(*GP*CP*AP*G)-D(P*(CSL))-R(P*AP*GP*C)-3') | | Authors: | Kiliszek, A, Blaszczyk, L, Rypniewski, W, Micura, R, Nakatani, K. | | Deposit date: | 2019-01-21 | | Release date: | 2019-09-25 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.519 Å) | | Cite: | Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats.
Nucleic Acids Res., 47, 2019
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6QIT
 | | Crystal structure of CAG repeats with synthetic CMBL3b compound | | Descriptor: | CMBL3a, RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*C)-3') | | Authors: | Kiliszek, A, Blaszczyk, L, Rypniewski, W, Nakatani, K. | | Deposit date: | 2019-01-21 | | Release date: | 2019-09-25 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats.
Nucleic Acids Res., 47, 2019
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6O0X
 | | Conformational states of Cas9-sgRNA-DNA ternary complex in the presence of magnesium | | Descriptor: | 3' product of target strand DNA, 5' product of target strand DNA, CRISPR-associated endonuclease Cas9/Csn1, ... | | Authors: | Zhu, X, Clarke, R, Puppala, A.K, Chittori, S, Merk, A, Merrill, B.J, Simonovic, M, Subramaniam, S. | | Deposit date: | 2019-02-17 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | Cryo-EM structures reveal coordinated domain motions that govern DNA cleavage by Cas9.
Nat.Struct.Mol.Biol., 26, 2019
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8GL3
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6O26
 | | Crystal structure of 3246 Fab in complex with circumsporozoite protein NANA | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3246 Fab heavy chain, ... | | Authors: | Scally, S.W, Bosch, A, Castro, K, Murugan, R, Wardemann, H, Julien, J.P. | | Deposit date: | 2019-02-22 | | Release date: | 2020-03-04 | | Last modified: | 2020-09-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs.
Nat. Med., 26, 2020
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6NSZ
 | | X-ray reduced Catalase 3 from N.Crassa (0.526 MGy) | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Catalase-3, ... | | Authors: | Zarate-Romero, A, Rudino-Pinera, E, Stojanoff, V. | | Deposit date: | 2019-01-27 | | Release date: | 2019-05-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-ray driven reduction of Cpd I of Catalase-3 from N. crassa reveals differential sensitivity of active sites and formation of ferrous state.
Arch.Biochem.Biophys., 666, 2019
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6O2P
 | | Complex of ivacaftor with cystic fibrosis transmembrane conductance regulator (CFTR) | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ... | | Authors: | Liu, F, Zhang, Z, Chen, J, Levit, A, Shoichet, B. | | Deposit date: | 2019-02-24 | | Release date: | 2019-06-26 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural identification of a hotspot on CFTR for potentiation.
Science, 364, 2019
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8GLF
 | | Crystal Structure of Human CD1b in Complex with Sphingomyelin C34:2 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ... | | Authors: | Shahine, A. | | Deposit date: | 2023-03-22 | | Release date: | 2023-09-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms.
Cell, 186, 2023
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8GLE
 | | Crystal Structure of Human CD1b in Complex with Lysosulfatide | | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-O-sulfo-beta-D-galactopyranoside, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Shahine, A. | | Deposit date: | 2023-03-22 | | Release date: | 2023-09-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms.
Cell, 186, 2023
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3P9T
 | | SmeT-Triclosan complex | | Descriptor: | Repressor, SULFATE ION, TRICLOSAN | | Authors: | Hernandez, A, Ruiz, F.M, Romero, A, Martinez, J.L. | | Deposit date: | 2010-10-18 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | The Binding of Triclosan to SmeT, the Repressor of the Multidrug Efflux Pump SmeDEF, Induces Antibiotic Resistance in Stenotrophomonas maltophilia.
Plos Pathog., 7, 2011
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6UIY
 | | Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases | | Descriptor: | ACETATE ION, Streptavidin, {5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-{[(pyridin-2-yl)methyl][(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)pentanamide}iron(2+) | | Authors: | Miller, K.R, Paretsky, J.D, Follmer, A.H, Heinisch, T, Mittra, K, Gul, S, Kim, I.-S, Fuller, F.D, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bhowmick, A, Sauter, N.K, Kern, J, Yano, J, Green, M.T, Ward, T.R, Borovik, A.S. | | Deposit date: | 2019-10-01 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases.
Inorg.Chem., 59, 2020
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6Q37
 | | Complex of Arginase 2 with Example 23 | | Descriptor: | 1,2-ETHANEDIOL, 3-[(3~{S},4~{R})-4-azanyl-4-carboxy-pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide, Arginase-2, ... | | Authors: | Podjarny, A.D, Van Zandt, M.C, Cousido-Siah, A. | | Deposit date: | 2018-12-03 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.211 Å) | | Cite: | Discovery ofN-Substituted 3-Amino-4-(3-boronopropyl)pyrrolidine-3-carboxylic Acids as Highly Potent Third-Generation Inhibitors of Human Arginase I and II.
J.Med.Chem., 62, 2019
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3P9Z
 | | Crystal structure of uroporphyrinogen-III synthetase from Helicobacter pylori 26695 | | Descriptor: | MALONATE ION, Uroporphyrinogen III cosynthase (HemD) | | Authors: | Nocek, B, Stein, A, Chhor, G, Fenske, R.J, Buck, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-10-18 | | Release date: | 2010-11-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of uroporphyrinogen-III synthetase from Helicobacter pylori 26695
To be Published
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