5IFR
 
 | | Structure of the stable UBE2D3-UbDha conjugate | | Descriptor: | GLYCEROL, Polyubiquitin-B, Ubiquitin-conjugating enzyme E2 D3 | | Authors: | Pruneda, J.N, Mulder, M.P.C, Witting, K, Ovaa, H, Komander, D. | | Deposit date: | 2016-02-26 | | Release date: | 2016-05-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A cascading activity-based probe sequentially targets E1-E2-E3 ubiquitin enzymes.
Nat.Chem.Biol., 12, 2016
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5IOX
 | | Xanthomonas campestris Peroxiredoxin Q - Structure LUss | | Descriptor: | Bacterioferritin comigratory protein | | Authors: | Perkins, A, Parsonage, D, Nelson, K.J, Poole, L.B, Karplus, A. | | Deposit date: | 2016-03-09 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Peroxiredoxin Catalysis at Atomic Resolution.
Structure, 24, 2016
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8UH8
 | | Crystal structure of SARS-CoV-2 main protease E166V (Apo structure) | | Descriptor: | ORF1a polyprotein | | Authors: | Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H. | | Deposit date: | 2023-10-07 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir
To Be Published
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6XTF
 | | Crystal structure a Thioredoxin Reductase from Gloeobacter violaceus bound to its electron donor | | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Buey, R.M, Gonzalez-Holgado, G, Fernandez-Justel, D, Balsera, M. | | Deposit date: | 2020-01-16 | | Release date: | 2021-07-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Unexpected diversity of ferredoxin-dependent thioredoxin reductases in cyanobacteria.
Plant Physiol., 186, 2021
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8TUP
 | | Cryo-EM structure of the human MRS2 magnesium channel under Mg2+-free condition | | Descriptor: | MAGNESIUM ION, Magnesium transporter MRS2 homolog, mitochondrial | | Authors: | Lai, L.T.F, Balaraman, J, Zhou, F, Matthies, D. | | Deposit date: | 2023-08-16 | | Release date: | 2023-09-13 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures of human magnesium channel MRS2 reveal gating and regulatory mechanisms.
Nat Commun, 14, 2023
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6XZ1
 | | Conjugate of the HECT domain of HUWE1 with ubiquitin | | Descriptor: | HECT, UBA and WWE domain containing 1, isoform CRA_a, ... | | Authors: | Liu, B, Seenivasan, A, Nair, R, Chen, D, Lowe, E.D, Lorenz, S. | | Deposit date: | 2020-01-31 | | Release date: | 2021-08-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Reconstitution and Structural Analysis of a HECT Ligase-Ubiquitin Complex via an Activity-Based Probe.
Acs Chem.Biol., 16, 2021
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5I2Z
 | | Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelating water-soluble inhibitor (DC24). | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A. | | Deposit date: | 2016-02-09 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
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5I4H
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6Y6K
 | | Cryo-EM structure of a Phenuiviridae L protein | | Descriptor: | MAGNESIUM ION, RNA-dependent RNA polymerase | | Authors: | Vogel, D, Thorkelsson, S.R, Quemin, E, Meier, K, Kouba, T, Gogrefe, N, Busch, C, Reindl, S, Guenther, S, Cusack, S, Gruenewald, K, Rosenthal, M. | | Deposit date: | 2020-02-26 | | Release date: | 2020-04-08 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.78 Å) | | Cite: | Structural and functional characterization of the severe fever with thrombocytopenia syndrome virus L protein.
Nucleic Acids Res., 48, 2020
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5I91
 | | Structure of Mouse Acirecutone dioxygenase with to Ni2+ and 2-keto-4-(methylthio)-butyric acid in the active site | | Descriptor: | 1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase, 4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID, NICKEL (II) ION | | Authors: | Deshpande, A.R, Robinson, H, Wagenpfeil, K, Pochapsky, T.C, Petsko, G.A, Ringe, D. | | Deposit date: | 2016-02-19 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Metal-Dependent Function of a Mammalian Acireductone Dioxygenase.
Biochemistry, 55, 2016
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6Y6Z
 | | Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with Compound 1 | | Descriptor: | GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI, ~{tert}-butyl ~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate | | Authors: | Newman, H, Bellini, D, Dowson, C.G. | | Deposit date: | 2020-02-27 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion.
Chem Sci, 11, 2020
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8TUL
 | | Cryo-EM structure of the human MRS2 magnesium channel under Mg2+ condition | | Descriptor: | MAGNESIUM ION, Magnesium transporter MRS2 homolog, mitochondrial | | Authors: | Lai, L.T.F, Balaraman, J, Zhou, F, Matthies, D. | | Deposit date: | 2023-08-16 | | Release date: | 2023-09-13 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Cryo-EM structures of human magnesium channel MRS2 reveal gating and regulatory mechanisms.
Nat Commun, 14, 2023
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6Y7F
 | | Crystal structure of human ELOVL fatty acid elongase 7 (ELOVL7) | | Descriptor: | CHLORIDE ION, Elongation of very long chain fatty acids protein 7, Octyl Glucose Neopentyl Glycol, ... | | Authors: | Nie, L, Pike, A.C.W, Bushell, S.R, Chu, A, Cole, V, Speedman, D, Rodstrom, K.E.J, Kupinska, K, Shrestha, L, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, Love, J, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-02-28 | | Release date: | 2020-05-13 | | Method: | X-RAY DIFFRACTION (2.052 Å) | | Cite: | Crystal structure of human ELOVL fatty acid elongase 7 (ELOVL7)
TO BE PUBLISHED
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6Y2G
 | | Crystal structure (orthorhombic form) of the complex resulting from the reaction between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b) | | Descriptor: | 3C-like proteinase nsp5, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | Authors: | Zhang, L, Lin, D, Sun, X, Hilgenfeld, R. | | Deposit date: | 2020-02-15 | | Release date: | 2020-03-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Science, 368, 2020
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5I9G
 | | Crystal structure of designed pentatricopeptide repeat protein dPPR-U8C2 in complex with its target RNA U8C2 | | Descriptor: | RNA (5'-R(*GP*GP*G*GP*UP*UP*UP*UP*CP*CP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8C2 | | Authors: | Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P. | | Deposit date: | 2016-02-20 | | Release date: | 2016-04-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.288 Å) | | Cite: | Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins.
Nat Commun, 7, 2016
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8OTW
 | | Cryo-EM structure of Strongylocentrotus purpuratus SLC9C1 in presence of cAMP | | Descriptor: | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Sperm-specific sodium proton exchanger | | Authors: | Yeo, H, Mehta, V, Gulati, A, Drew, D. | | Deposit date: | 2023-04-21 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (3.68 Å) | | Cite: | Structure and electromechanical coupling of a voltage-gated Na + /H + exchanger.
Nature, 623, 2023
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6Y23
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1RL4
 | | Plasmodium falciparum peptide deformylase complex with inhibitor | | Descriptor: | (2R)-2-{[FORMYL(HYDROXY)AMINO]METHYL}HEXANOIC ACID, 2-{N'-[2-(5-AMINO-1-PHENYLCARBAMOYL-PENTYLCARBAMOYL)-HEXYL]-HYDRAZINOMETHYL}-HEXANOIC ACID(5-AMINO-1-PHENYLCARBAMOYL-PENTYL)-AMIDE, COBALT (II) ION, ... | | Authors: | Robien, M.A, Nguyen, K.T, Kumar, A, Hirsh, I, Turley, S, Pei, D, Hol, W.G.J. | | Deposit date: | 2003-11-24 | | Release date: | 2003-12-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | An improved crystal form of Plasmodium falciparum peptide deformylase.
Protein Sci., 13, 2004
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5IEV
 | | Crystal structure of BAY 1000394 (Roniciclib) bound to CDK2 | | Descriptor: | Cyclin-dependent kinase 2, Roniciclib | | Authors: | Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M. | | Deposit date: | 2016-02-25 | | Release date: | 2016-04-27 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.
Acs Chem.Biol., 11, 2016
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1EZI
 | | Structure of a sialic acid activating synthetase, CMP acylneuraminate synthetase in the presence and absence of CDP | | Descriptor: | CMP-N-ACETYLNEURAMINIC ACID SYNTHETASE | | Authors: | Mosimann, S.C, Gilbert, M, Dombrowski, D, Wakarchuk, W, Strynadka, N.C. | | Deposit date: | 2000-05-11 | | Release date: | 2001-02-14 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of a sialic acid-activating synthetase, CMP-acylneuraminate synthetase in the presence and absence of CDP.
J.Biol.Chem., 276, 2001
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1RPM
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6Y1H
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5IHW
 | | The crystal structure of SdrE from staphylococcus aureus | | Descriptor: | Serine-aspartate repeat-containing protein E | | Authors: | Zhang, S, Wei, J, Wu, S, Zhang, X, Luo, M, Wang, D. | | Deposit date: | 2016-02-29 | | Release date: | 2017-03-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | The crystal structure of SdrE from staphylococcus aureus
To Be Published
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8UM3
 | | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z203039992 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 6-chlorotetrazolo[1,5-b]pyridazine, ... | | Authors: | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-10-17 | | Release date: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.925 Å) | | Cite: | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z203039992
To Be Published
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8UBH
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