7SQM
| Discovery and Preclinical Pharmacology of INE963, A Potent and Fast-Acting Blood-Stage Antimalarial with a High Barrier to Resistance and Potential for Single-Dose Cure in Uncomplicated Malaria | Descriptor: | 1-[(4S)-5-(2,4-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine, GLYCEROL, Serine/threonine-protein kinase haspin | Authors: | Shu, W, Yokokawa, F. | Deposit date: | 2021-11-05 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Failure of artesunate-mefloquine combination therapy for uncompli-cated Plasmodium falciparum malaria in southern Cambodia. Malar. J., 2009, 8, 10, 2009
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7S7S
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6BX8
| Human Mesotrypsin (PRSS3) Complexed with Tissue Factor Pathway Inhibitor Variant (TFPI1-KD1-K15R-I17C-I34C) | Descriptor: | SULFATE ION, Tissue factor pathway inhibitor, Trypsin-3 | Authors: | Coban, M, Sankaran, B, Cohen, I, Hockla, A, Papo, N, Radisky, E.S. | Deposit date: | 2017-12-18 | Release date: | 2019-02-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin. J. Biol. Chem., 294, 2019
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7T7U
| Light Harvesting complex phycocyanin PC 630, from the cryptophyte Chroomonas sp. M1627 | Descriptor: | DiCys-(15,16)-Dihydrobiliverdin, GLYCEROL, PHYCOCYANOBILIN, ... | Authors: | Michie, K.A, Harrop, S.J, Rathbone, H.W, Wilk, K.E, Curmi, P.M.G. | Deposit date: | 2021-12-15 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular structures reveal the origin of spectral variation in cryptophyte light harvesting antenna proteins. Protein Sci., 32, 2023
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7T89
| Light harvesting complex Phycocyanin PC577 from the cryptophyte Hemiselmis pacifica CCMP 706 | Descriptor: | DiCys-(15,16)-Dihydrobiliverdin, PHYCOCYANOBILIN, Phycoerythrin alpha subunit 1, ... | Authors: | Michie, K.A, Curmi, P.C, Harrop, S, Rathbone, H.W. | Deposit date: | 2021-12-16 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Molecular structures reveal the origin of spectral variation in cryptophyte light harvesting antenna proteins. Protein Sci., 32, 2023
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7S1G
| wild-type Escherichia coli stalled ribosome with antibiotic linezolid | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D. | Deposit date: | 2021-09-02 | Release date: | 2021-11-17 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.48 Å) | Cite: | Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics. Nat.Struct.Mol.Biol., 29, 2022
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7S1H
| Wild-type Escherichia coli ribosome with antibiotic linezolid | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D. | Deposit date: | 2021-09-02 | Release date: | 2021-11-17 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.35 Å) | Cite: | Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics. Nat.Struct.Mol.Biol., 29, 2022
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7S86
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7R3U
| Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | Descriptor: | 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Snee, M, Katariya, M, Leys, D, Levy, C. | Deposit date: | 2022-02-07 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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7RVA
| Updated Crystal Structure of Replication Initiator Protein REPE54. | Descriptor: | DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*T)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*T)-3'), MAGNESIUM ION, ... | Authors: | Ward, A.R, Snow, C.D. | Deposit date: | 2021-08-18 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA Crystals, 12, 2022
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4TNJ
| RT XFEL structure of Photosystem II 500 ms after the 2nd illumination (2F) at 4.5 A resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K. | Deposit date: | 2014-06-04 | Release date: | 2014-07-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy. Nat Commun, 5, 2014
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4TNI
| RT XFEL structure of Photosystem II 500 ms after the third illumination at 4.6 A resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K. | Deposit date: | 2014-06-04 | Release date: | 2014-07-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (4.6 Å) | Cite: | Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy. Nat Commun, 5, 2014
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4TNK
| RT XFEL structure of Photosystem II 250 microsec after the third illumination at 5.2 A resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K. | Deposit date: | 2014-06-04 | Release date: | 2014-07-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (5.2 Å) | Cite: | Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy. Nat Commun, 5, 2014
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4TNH
| RT XFEL structure of Photosystem II in the dark state at 4.9 A resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K. | Deposit date: | 2014-06-04 | Release date: | 2014-07-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (4.900007 Å) | Cite: | Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy. Nat Commun, 5, 2014
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4TNL
| 1.8 A resolution room temperature structure of Thermolysin recorded using an XFEL | Descriptor: | CALCIUM ION, Thermolysin, ZINC ION | Authors: | Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K. | Deposit date: | 2014-06-04 | Release date: | 2014-07-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy. Nat Commun, 5, 2014
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7VYO
| The structure of GdmN | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L. | Deposit date: | 2021-11-14 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies. Nat Commun, 13, 2022
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6HLK
| Hijacking the Hijackers: Escherichia coli Pathogenicity Islands Redirect Helper Phage Packaging for Their Own Benefit. | Descriptor: | Redirecting phage packaging protein C (RppC) | Authors: | Penades, J.R, Bacarizo, J, Marina, A, Alqasmi, M, Fillol-Salom, A, Roszak, A.W, Ciges-Tomas, J.R. | Deposit date: | 2018-09-11 | Release date: | 2019-07-31 | Last modified: | 2019-09-18 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Hijacking the Hijackers: Escherichia coli Pathogenicity Islands Redirect Helper Phage Packaging for Their Own Benefit. Mol.Cell, 75, 2019
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8AKL
| Acyl-enzyme complex of meropenem bound to deacylation mutant KPC-2 (E166Q) | Descriptor: | (2S,3R,4R)-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-2-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2022-07-29 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase. J.Am.Chem.Soc., 145, 2023
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8AHW
| Structure of DCS-resistant variant D322N of alanine racemase from Mycobacterium tuberculosis | Descriptor: | 1,2-ETHANEDIOL, Alanine racemase, GLYCEROL | Authors: | de Chiara, C, Prosser, G, Ogrodowicz, R.W, de Carvalho, L.P.S. | Deposit date: | 2022-07-22 | Release date: | 2023-04-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structure of the d-Cycloserine-Resistant Variant D322N of Alanine Racemase from Mycobacterium tuberculosis . Acs Bio Med Chem Au, 3, 2023
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8ASO
| Nickel(II) bound to a non-canonical quadruplex | Descriptor: | COBALT HEXAMMINE(III), DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3'), NICKEL (II) ION | Authors: | Lambert, M.C, Hall, J.P. | Deposit date: | 2022-08-19 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Identifying metal-DNA binding sites, what is the best method to get transition metals into a crystal system? To Be Published
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8ASM
| Cobalt(II) bound to a non-canonical quadruplex | Descriptor: | COBALT (II) ION, COBALT HEXAMMINE(III), DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3') | Authors: | Lambert, M.C, Hall, J.P. | Deposit date: | 2022-08-19 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Identifying metal-DNA binding sites, what is the best method to get transition metals into a crystal system? To Be Published
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8AZC
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8B0W
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8AMS
| Complex of human TRIM2 RING domain, UBCH5C, and Ubiquitin | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, GLYCEROL, Polyubiquitin-C, ... | Authors: | Perez-Borrajero, C, Kotova, I, Murciano, B, Hennig, J. | Deposit date: | 2022-08-04 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and biophysical studies of TRIM2 and TRIM3 To Be Published
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8B22
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