9DIZ
 
 | | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM959 (6-cyclopropyl-2,4-dimethyl-3-((6-(trifluoromethyl)pyridin-3-yl)methyl)-2,6-dihydro-7H-pyrazolo[3,4-c]pyridin-7-one) | | Descriptor: | 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, 6-cyclopropyl-2,4-dimethyl-3-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-2,6-dihydro-7H-pyrazolo[3,4-c]pyridin-7-one, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Deng, X, Tomchick, D, Phillips, M. | | Deposit date: | 2024-09-06 | | Release date: | 2025-01-01 | | Last modified: | 2025-01-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure-Based Discovery and Development of Highly Potent Dihydroorotate Dehydrogenase Inhibitors for Malaria Chemoprevention.
J.Med.Chem., 68, 2025
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9CA5
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9CA6
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9EM1
 | | Human pyridoxal phosphatase in complex with 7,8-dihydroxyflavone and phosphate | | Descriptor: | 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, Chronophin, GLYCEROL, ... | | Authors: | Brenner, M, Gohla, A, Schindelin, H. | | Deposit date: | 2024-03-07 | | Release date: | 2024-06-12 | | Last modified: | 2024-10-16 | | 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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9F18
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9EQF
 | | Crystal structure of the L-arginine hydroxylase VioC MeHis316, bound to Fe(II), L-arginine, and succinate | | Descriptor: | 1,2-ETHANEDIOL, ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, ... | | Authors: | Hardy, F.J. | | Deposit date: | 2024-03-21 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Probing Ferryl Reactivity in a Nonheme Iron Oxygenase Using an Expanded Genetic Code.
Acs Catalysis, 14, 2024
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9ETK
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9F5U
 | | Crystal structure of Heme-Oxygenase from Corynebacterium diphtheriae complexed with Cobalt-porphyrine (HumO-Co(III)) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CITRIC ACID, ... | | Authors: | Labidi, R.J, Faivre, B, Carpentier, P, Perard, J, Gotico, P, Li, Y, Atta, M, Fontecave, M. | | Deposit date: | 2024-04-30 | | Release date: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Light-Activated Artificial CO 2 -Reductase: Structure and Activity.
J.Am.Chem.Soc., 2024
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9F66
 | | Crystal structure of Heme-Oxygenase from Corynebacterium diphtheriae complexed with Cobalt-porphyrine (HumO-Co(III)) flash-cooled under CO2 pressure | | Descriptor: | 1,2-ETHANEDIOL, CARBON DIOXIDE, CHLORIDE ION, ... | | Authors: | Labidi, R.J, Faivre, B, Carpentier, P, Perard, J, Gotico, P, Li, Y, Atta, M, Fontecave, M. | | Deposit date: | 2024-04-30 | | Release date: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Light-Activated Artificial CO 2 -Reductase: Structure and Activity.
J.Am.Chem.Soc., 2024
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7SGC
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7SDP
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7SPM
 | | Replication Initiator Protein REPE54 and cognate DNA sequence with terminal three prime phosphates chemically crosslinked (30 mg/mL EDC, 12 hours, 2 doses). | | 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*A)-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*A)-3'), MAGNESIUM ION, ... | | Authors: | Ward, A.R, Snow, C.D. | | Deposit date: | 2021-11-02 | | Release date: | 2021-11-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.28 Å) | | Cite: | Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA
Crystals, 12, 2022
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7SOZ
 | | Replication Initiator Protein REPE54 and cognate DNA sequence with terminal three prime phosphates chemically crosslinked (5 mg/mL EDC, 12 hours). | | 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*A)-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*A)-3'), MAGNESIUM ION, ... | | Authors: | Ward, A.R, Snow, C.D. | | Deposit date: | 2021-11-01 | | Release date: | 2021-11-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.14 Å) | | Cite: | Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
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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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7TT8
 | | Human LRH-1 LBD bound to agonist 6N-10CA and fragment of Tif2 coactivator | | Descriptor: | 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | Authors: | Cato, M.L, Ortlund, E.A. | | Deposit date: | 2022-01-31 | | Release date: | 2022-05-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Differential Modulation of Nuclear Receptor LRH-1 through Targeting Buried and Surface Regions of the Binding Pocket.
J.Med.Chem., 65, 2022
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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: | 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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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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7KWO
 | | rFVIIIFc-VWF-XTEN (BIVV001) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (II) ION, ... | | Authors: | Fuller, J.R, Batchelor, J.D. | | Deposit date: | 2020-12-01 | | Release date: | 2021-03-03 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Molecular determinants of the factor VIII/von Willebrand factor complex revealed by BIVV001 cryo-electron microscopy.
Blood, 137, 2021
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7LM4
 | | The crystal structure of the I38T mutant PA Endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988503 | | Descriptor: | 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | | Authors: | Cuypers, M.G, Slavish, P.J, Jayaraman, S, Rankovic, Z, White, S.W. | | Deposit date: | 2021-02-05 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
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1NNH
 | | Hypothetical protein from Pyrococcus furiosus Pfu-1801964 | | Descriptor: | SODIUM ION, asparaginyl-tRNA synthetase-related peptide | | Authors: | Tempel, W, Liu, Z.-J, Schubot, F.D, Shah, A, Arendall III, W.B, Rose, J.P, Richardson, D.C, Richardson, J.S, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2003-01-13 | | Release date: | 2004-02-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Hypothetical protein from Pyrococcus furiosus Pfu-1801964
To be published
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1COB
 | | CRYSTAL STRUCTURE SOLUTION AND REFINEMENT OF THE SEMISYNTHETIC COBALT SUBSTITUTED BOVINE ERYTHROCYTE ENZYME SUPEROXIDE DISMUTASE AT 2.0 ANGSTROMS RESOLUTION | | Descriptor: | COBALT (II) ION, COPPER (II) ION, SUPEROXIDE DISMUTASE | | Authors: | Djinovic, K, Coda, A, Antolini, L, Pelosi, G, Desideri, A, Falconi, M, Rotilio, G, Bolognesi, M. | | Deposit date: | 1992-02-19 | | Release date: | 1993-10-31 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure solution and refinement of the semisynthetic cobalt-substituted bovine erythrocyte superoxide dismutase at 2.0 A resolution.
J.Mol.Biol., 226, 1992
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1SDA
 | | CRYSTAL STRUCTURE OF PEROXYNITRITE-MODIFIED BOVINE CU,ZN SUPEROXIDE DISMUTASE | | Descriptor: | COPPER (II) ION, COPPER,ZINC SUPEROXIDE DISMUTASE, ZINC ION | | Authors: | Smith, C.D, Carson, M, Van Der Woerd, M, Chen, J, Ischiropoulos, H, Beckman, J.S. | | Deposit date: | 1993-01-13 | | Release date: | 1993-10-31 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of peroxynitrite-modified bovine Cu,Zn superoxide dismutase.
Arch.Biochem.Biophys., 299, 1992
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6TYF
 | | Crystal structure of MTB sigma L transcription initiation complex with 6 nt long RNA primer | | Descriptor: | DNA (5'-D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*AP*TP*CP*GP*AP*GP*GP*GP*T)-3'), DNA (5'-D(P*GP*TP*GP*TP*CP*AP*GP*TP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Molodtsov, V, Ebright, R.H. | | Deposit date: | 2019-08-08 | | Release date: | 2020-03-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6TYG
 | | Crystal structure of MTB sigma L transcription initiation complex with 9 nt long RNA primer | | Descriptor: | DNA (5'-D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*AP*TP*CP*GP*AP*GP*GP*GP*TP*G)-3'), DNA (5'-D(P*GP*TP*GP*TP*CP*AP*GP*TP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Molodtsov, V, Ebright, R.H. | | Deposit date: | 2019-08-08 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6U1V
 | | Crystal structure of acyl-ACP/acyl-CoA dehydrogenase from allylmalonyl-CoA and FK506 biosynthesis, TcsD | | Descriptor: | Acyl-CoA dehydrogenase domain-containing protein, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE | | Authors: | Blake-Hedges, J.M, Pereira, J.H, Barajas, J.F, Adams, P.D, Keasling, J.D. | | Deposit date: | 2019-08-16 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Mechanism of Regioselectivity in an Unusual Bacterial Acyl-CoA Dehydrogenase.
J.Am.Chem.Soc., 142, 2020
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