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: | 2024-10-16 | 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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7TN1
 
 | Multistate design to stabilize viral class I fusion proteins | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0 | Authors: | Huang, J, Banerjee, A, Gonzalez, K, Mousa, J, Strauch, E. | Deposit date: | 2022-01-20 | Release date: | 2023-07-12 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A general computational design strategy for stabilizing viral class I fusion proteins. Nat Commun, 15, 2024
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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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6TX4
 
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6TX7
 
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6TX5
 
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8B8H
 
 | Structure of DCS-resistant variant D322N of alanine racemase from M. tuberculosis in complex with DCS | Descriptor: | (~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{R})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium, 1,2-ETHANEDIOL, Alanine racemase, ... | Authors: | de Chiara, C, Prosser, G, Ogrodowicz, R.W, de Carvalho, L.P.S. | Deposit date: | 2022-10-04 | Release date: | 2023-04-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.78 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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8AZC
 
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8B22
 
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8B23
 
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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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8B24
 
 | Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 3600-seconds post reaction initiation with Na+ | Descriptor: | DIPHOSPHATE, K(+)-stimulated pyrophosphate-energized sodium pump, MAGNESIUM ION, ... | 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 (4.53 Å) | Cite: | Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases. Embo Rep., 25, 2024
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8CD8
 
 | Ulilysin - C269A with AEBSF complex | Descriptor: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, CALCIUM ION, GLY-SER-SER, ... | Authors: | Rodriguez-Banqueri, A, Eckhard, U, Gomis-Ruth, F.X. | Deposit date: | 2023-01-30 | Release date: | 2023-03-22 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural insights into latency of the metallopeptidase ulilysin (lysargiNase) and its unexpected inhibition by a sulfonyl-fluoride inhibitor of serine peptidases. Dalton Trans, 52, 2023
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8CEM
 
 | Structure of bovine native C3, re-refinement | Descriptor: | Complement C3 alpha chain, Complement C3 beta chain, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Andersen, G.R, Fredslund, F. | Deposit date: | 2023-02-02 | Release date: | 2023-04-05 | Last modified: | 2025-03-05 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The structure of bovine complement component 3 reveals the basis for thioester function. J.Mol.Biol., 361, 2006
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8SXS
 
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8C3W
 
 | Crystal structure of a computationally designed heme binding protein, dnHEM1 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ortmayer, M, Levy, C. | Deposit date: | 2022-12-29 | Release date: | 2023-07-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design of Heme Enzymes with a Tunable Substrate Binding Pocket Adjacent to an Open Metal Coordination Site. J.Am.Chem.Soc., 145, 2023
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8SCA
 
 | Rec3 Domain from S. pyogenes Cas9 | Descriptor: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1 | Authors: | D'Ordine, A.M, Skeens, E, Lisi, G.P, Jogl, G. | Deposit date: | 2023-04-05 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | High-fidelity, hyper-accurate, and evolved mutants rewire atomic-level communication in CRISPR-Cas9. Sci Adv, 10, 2024
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8SBH
 
 | YeiE effector binding domain from E. coli | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | Authors: | Momany, C, Nune, M, Brondani, J.C, Afful, D, Neidle, E. | Deposit date: | 2023-04-03 | Release date: | 2024-04-17 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | FinR, a LysR-type transcriptional regulator involved in sulfur homeostasis with homologs in diverse microorganisms To Be Published
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8C3P
 
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8C3O
 
 | Crystal structure of autotaxin gamma and compound MEY-003 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one, 7alpha-hydroxycholesterol, ... | Authors: | Eymery, M.C, McCarthy, A.A. | Deposit date: | 2022-12-27 | Release date: | 2023-11-22 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids. Eur.J.Med.Chem., 263, 2023
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8C7R
 
 | Crystal structure of rat autotaxin and compound MEY-003 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one, 7alpha-hydroxycholesterol, ... | Authors: | Eymery, M.C, McCarthy, A.A. | Deposit date: | 2023-01-17 | Release date: | 2023-11-22 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids. Eur.J.Med.Chem., 263, 2023
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8C4W
 
 | Crystal structure of rat autotaxin and compound MEY-002 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-[1-(phenylmethyl)indol-3-yl]chromen-4-one, 7alpha-hydroxycholesterol, ... | Authors: | Eymery, M.C, McCarthy, A.A. | Deposit date: | 2023-01-05 | Release date: | 2023-11-22 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids. Eur.J.Med.Chem., 263, 2023
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8S8A
 
 | Human pyridoxal phosphatase in complex with 7,8-dihydroxyflavone without phosphate | Descriptor: | 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, CHLORIDE ION, Chronophin, ... | Authors: | Brenner, M, Gohla, A, Schindelin, H. | Deposit date: | 2024-03-06 | Release date: | 2024-06-12 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 7,8-Dihydroxyflavone is a direct inhibitor of human and murine pyridoxal phosphatase. Elife, 13, 2024
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8C3T
 
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8TSY
 
 | Pseudomonas fluorescens G150T-2 isocyanide hydratase at 274 K | Descriptor: | CHLORIDE ION, Isonitrile hydratase InhA | Authors: | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | Deposit date: | 2023-08-12 | Release date: | 2023-09-20 | Last modified: | 2025-05-07 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography. Sci Adv, 10, 2024
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