2BLM
 
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6GOM
 | | KRAS-169 Q61H GPPNHP + PPIN-1 | | Descriptor: | (6~{S})-1-(1~{H}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one, CITRIC ACID, GTPase KRas, ... | | Authors: | Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | | Deposit date: | 2018-06-01 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5N5Z
 | | Cryo-EM structure of RNA polymerase I in complex with Rrn3 and Core Factor (Orientation II) | | Descriptor: | DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ... | | Authors: | Engel, C, Gubbey, T, Neyer, S, Sainsbury, S, Oberthuer, C, Baejen, C, Bernecky, C, Cramer, P. | | Deposit date: | 2017-02-14 | | Release date: | 2017-04-05 | | Last modified: | 2018-10-03 | | Method: | ELECTRON MICROSCOPY (7.7 Å) | | Cite: | Structural Basis of RNA Polymerase I Transcription Initiation.
Cell, 169, 2017
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8QFO
 | | Ergothioneine dioxygenase, variant Y149F, from Thermocatellispora tengchongensis in complex with manganese | | Descriptor: | ACETATE ION, Cysteine dioxygenase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Vasseur, C.M, Seebeck, F.P. | | Deposit date: | 2023-09-04 | | Release date: | 2023-12-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Enzyme-Catalyzed Oxidative Degradation of Ergothioneine.
Angew.Chem.Int.Ed.Engl., 63, 2024
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4MDG
 | | Closo Carborane Carbonic Anhydrase Inhibitor | | Descriptor: | 1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane, Carbonic anhydrase 2, ZINC ION | | Authors: | Brynda, J, Mader, P, Rezacova, P. | | Deposit date: | 2013-08-22 | | Release date: | 2014-01-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Carborane-based carbonic anhydrase inhibitors.
Angew.Chem.Int.Ed.Engl., 52, 2013
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8G0G
 | | Crystal structure of diphtheria toxin H223Q/H257Q double mutant (pH 4.5) | | Descriptor: | ADENYLYL-3'-5'-PHOSPHO-URIDINE-3'-MONOPHOSPHATE, Diphtheria toxin | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Ladokhin, A.S. | | Deposit date: | 2023-01-31 | | Release date: | 2023-07-05 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Histidine Protonation and Conformational Switching in Diphtheria Toxin Translocation Domain.
Toxins, 15, 2023
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4DYM
 | | Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135 | | Descriptor: | 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, Activin receptor type-1, GLYCEROL, ... | | Authors: | Chaikuad, A, Sanvitale, C, Cooper, C, Canning, P, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Gileadi, O, Fedorov, O, Krojer, T, Filippakopoulos, P, Muniz, J.R.C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-02-29 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135
To be Published
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8FUU
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2WKO
 | | Structure of metal loaded Pathogenic SOD1 Mutant G93A. | | Descriptor: | COPPER (II) ION, IODIDE ION, SUPEROXIDE DISMUTASE [CU-ZN], ... | | Authors: | Antonyuk, S.V, Galaleldeen, A, Strange, R, Whitson, L, Narayana, N, Taylor, A, Schuermann, J.P, Holloway, S.P, Hasnain, S.S, Hart, P.J. | | Deposit date: | 2009-06-16 | | Release date: | 2009-11-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural and Biophysical Properties of Metal-Free Pathogenic Sod1 Mutants A4V and G93A.
Arch.Biochem.Biophys., 492, 2009
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8R1A
 | | Model of the membrane-bound GBP1 oligomer | | Descriptor: | ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, Guanylate binding protein 1, ... | | Authors: | Weismehl, M, Chu, X, Kutsch, M, Lauterjung, P, Herrmann, C, Kudryashev, M, Daumke, O. | | Deposit date: | 2023-11-01 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (26.799999 Å) | | Cite: | Structural insights into the activation mechanism of antimicrobial GBP1.
Embo J., 43, 2024
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8RBN
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5N67
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8OJZ
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8OIX
 | | CryoEM structure of 20S Trichomonas vaginalis proteasome in complex with proteasome inhibitor Salinosporamid A | | Descriptor: | (3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE, Family T1, proteasome alpha subunit, ... | | Authors: | Silhan, J, Fajtova, P, Boura, E. | | Deposit date: | 2023-03-23 | | Release date: | 2024-04-10 | | Last modified: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Tv20S proteasome in the complex with marizomib
To Be Published
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8JRL
 | | Crystal structure of P450 TleB with an indole alkaloid | | Descriptor: | (2~{S})-~{N}-[(2~{S})-1-(4-fluoranyl-1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-sulfanyl-butanamide, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Wang, J, Yan, W.P. | | Deposit date: | 2023-06-17 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Regulation of P450 TleB catalytic flow for the synthesis of sulfur-containing indole alkaloids by substrate structure-directed strategy. and protein engineering.
Sci China Chem, 66, 2023
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6GTL
 | | Achromobacter cycloclastes copper nitrite reductase at pH 6.0 | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION, ... | | Authors: | Halsted, T.P, Eady, R.R, Antonyuk, S.V, Hasnain, S.S. | | Deposit date: | 2018-06-18 | | Release date: | 2019-07-03 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Catalytically important damage-free structures of a copper nitrite reductase obtained by femtosecond X-ray laser and room-temperature neutron crystallography.
Iucrj, 6, 2019
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8A9R
 | | Tetragonal Hen Egg-White (HEW) Lysozyme soaked in reduced resazurin in a glovebox and flash-cooled using a miniature-airlock | | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme | | Authors: | van der Linden, P, Engilberge, S, Atta, M, Carpentier, P. | | Deposit date: | 2022-06-29 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A miniature airlock system to aid the cryo-cooling of protein crystals grown under anoxic conditions
J.Appl.Crystallogr., 2022
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6HK5
 | | X-ray structure of a truncated mutant of the metallochaperone CooJ with a high-affinity nickel-binding site | | Descriptor: | 3,3',3''-phosphoryltripropanoic acid, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Alfano, M, Perard, J, Basset, C, Carpentier, P, Zambelli, B, Timm, J, Crouzy, S, Ciurli, S, Cavazza, C. | | Deposit date: | 2018-09-05 | | Release date: | 2019-03-27 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.042 Å) | | Cite: | The carbon monoxide dehydrogenase accessory protein CooJ is a histidine-rich multidomain dimer containing an unexpected Ni(II)-binding site.
J.Biol.Chem., 294, 2019
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2WT2
 | | Galectin domain of porcine adenovirus type 4 NADC-1 isolate fibre complexed with tri(N-acetyl-lactosamine) | | Descriptor: | NITRATE ION, PUTATIVE FIBER PROTEIN, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Guardado-Calvo, P, Munoz, E.M, Llamas-Saiz, A.L, Fox, G.C, Glasgow, J.N, van Raaij, M.J. | | Deposit date: | 2009-09-10 | | Release date: | 2010-08-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystallographic structure of porcine adenovirus type 4 fiber head and galectin domains.
J. Virol., 84, 2010
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5N2O
 | | Structure Of P63 SAM Domain L514F Mutant Causative Of AEC Syndrome | | Descriptor: | Tumor protein 63 | | Authors: | Rinnenthal, J, Wuerz, J.M, Osterburg, C, Guentert, P, Doetsch, V. | | Deposit date: | 2017-02-08 | | Release date: | 2018-02-07 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Protein aggregation of the p63 transcription factor underlies severe skin fragility in AEC syndrome.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8WIA
 | | Crystal structure of E. coli ThrS catalytic domain mutant G463S | | Descriptor: | Threonine--tRNA ligase, ZINC ION | | Authors: | Qiao, H, Wang, Z, Wang, J, Fang, P. | | Deposit date: | 2023-09-24 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase.
Commun Biol, 7, 2024
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8WIG
 | | Crystal structure of E. coli ThrS catalytic domain mutant G463S/Q484A | | Descriptor: | Threonine--tRNA ligase, ZINC ION | | Authors: | Qiao, H, Wang, Z, Wang, J, Fang, P. | | Deposit date: | 2023-09-24 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase.
Commun Biol, 7, 2024
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8WIJ
 | | Crystal structure of E. coli ThrS catalytic domain mutant L489M in complex with Obafluorin | | Descriptor: | N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION | | Authors: | Qiao, H, Wang, Z, Wang, J, Fang, P. | | Deposit date: | 2023-09-24 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase.
Commun Biol, 7, 2024
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8WIH
 | | Crystal structure of E. coli ThrS catalytic domain mutant G463A in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Threonine--tRNA ligase, ZINC ION | | Authors: | Qiao, H, Wang, Z, Wang, J, Fang, P. | | Deposit date: | 2023-09-24 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase.
Commun Biol, 7, 2024
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3BX1
 | | Complex between the Barley alpha-Amylase/Subtilisin Inhibitor and the subtilisin Savinase | | Descriptor: | Alpha-amylase/subtilisin inhibitor, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Micheelsen, P.O, Vevodova, J, Wilson, K, Skjot, M. | | Deposit date: | 2008-01-11 | | Release date: | 2008-07-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and Mutational Analyses of the Interaction between the Barley alpha-Amylase/Subtilisin Inhibitor and the Subtilisin Savinase Reveal a Novel Mode of Inhibition
J.Mol.Biol., 380, 2008
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