6FAD
 
 | | SR protein kinase 1 (SRPK1) in complex with the RGG-box of HSV1 ICP27 | | Descriptor: | PHOSPHATE ION, SRSF protein kinase 1, mRNA export factor | | Authors: | Tunnicliffe, R.B, Levy, C, Mould, A.P, Mckenzie, E.A, Sandri-Goldin, R.M, Golovanov, A.P. | | Deposit date: | 2017-12-15 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Molecular Mechanism of SR Protein Kinase 1 Inhibition by the Herpes Virus Protein ICP27.
Mbio, 10, 2019
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4XMB
 | | Crystal structure of 2,2'-(naphthalene-1,4-diylbis(((4-methoxyphenyl)sulfonyl)azanediyl))diacetamide bound to human Keap1 Kelch domain | | Descriptor: | 2,2'-(naphthalene-1,4-diylbis(((4-methoxyphenyl)sulfonyl)azanediyl))diacetamide, Kelch-like ECH-associated protein 1 | | Authors: | Luciano, J.P, Ryuzoji, A.F, Mesecar, A.D. | | Deposit date: | 2015-01-14 | | Release date: | 2015-09-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.428 Å) | | Cite: | Probing the structural requirements of non-electrophilic naphthalene-based Nrf2 activators.
Eur.J.Med.Chem., 103, 2015
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5FMG
 | | Structure and function based design of Plasmodium-selective proteasome inhibitors | | Descriptor: | (2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide, BETA3 PROTEASOME SUBUNIT, PUTATIVE, ... | | Authors: | Li, H, O'Donoghue, A.J, van der Linden, W.A, Xie, S.C, Yoo, E, Foe, I.T, Tilley, L, Craik, C.S, da Fonseca, P.C.A, Bogyo, M. | | Deposit date: | 2015-11-04 | | Release date: | 2016-03-02 | | Last modified: | 2017-08-23 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure and Function Based Design of Plasmodium-Selective Proteasome Inhibitors
Nature, 530, 2016
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6MGM
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5FO7
 | | Crystal Structure of Human Complement C3b at 2.8 Angstrom resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3 BETA CHAIN, COMPLEMENT C3B ALPHA' CHAIN | | Authors: | Forneris, F, Wu, J, Xue, X, Gros, P. | | Deposit date: | 2015-11-18 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Regulators of Complement Activity Mediate Inhibitory Mechanisms Through a Common C3B-Binding Mode.
Embo J., 35, 2016
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6HP0
 | | Complex of Neuraminidase from H1N1 Influenza Virus in Complex with Oseltamivir Triazol Derivative | | Descriptor: | (3~{R},4~{R},5~{S})-4-acetamido-5-[4-(hydroxymethyl)-1,2,3-triazol-1-yl]-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pachl, P, Pokorna, J. | | Deposit date: | 2018-09-19 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Investigation of flexibility of neuraminidase 150-loop using tamiflu derivatives in influenza A viruses H1N1 and H5N1.
Bioorg.Med.Chem., 27, 2019
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8IQ9
 | | Crystal structure of trimeric K2-2 TSP in complex with tetrasaccharide and octasaccharide | | Descriptor: | 1,2-ETHANEDIOL, ACETYL GROUP, K2-2 TSP, ... | | Authors: | Ye, T.J, Ko, T.P, Huang, K.F, Wu, S.H. | | Deposit date: | 2023-03-16 | | Release date: | 2024-02-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Klebsiella pneumoniae K2 capsular polysaccharide degradation by a bacteriophage depolymerase does not require trimer formation.
Mbio, 15, 2024
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5IV5
 | | Cryo-electron microscopy structure of the hexagonal pre-attachment T4 baseplate-tail tube complex | | Descriptor: | Baseplate hub protein gp27, Baseplate tail-tube protein gp48, Baseplate tail-tube protein gp54, ... | | Authors: | Taylor, N.M.I, Guerrero-Ferreira, R.C, Goldie, K.N, Stahlberg, H, Leiman, P.G. | | Deposit date: | 2016-03-19 | | Release date: | 2016-05-18 | | Last modified: | 2018-02-07 | | Method: | ELECTRON MICROSCOPY (4.11 Å) | | Cite: | Structure of the T4 baseplate and its function in triggering sheath contraction.
Nature, 533, 2016
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6ARV
 | | Crystal structure of CARM1 with Compound 2 and SAH | | Descriptor: | (2R)-1-amino-3-{3-[4-(morpholin-4-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]phenoxy}propan-2-ol, GLYCEROL, Histone-arginine methyltransferase CARM1, ... | | Authors: | Boriack-Sjodin, P.A, Jin, L. | | Deposit date: | 2017-08-23 | | Release date: | 2018-02-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification of a CARM1 Inhibitor with Potent In Vitro and In Vivo Activity in Preclinical Models of Multiple Myeloma.
Sci Rep, 7, 2017
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5FH6
 | | Crystal structure of the fifth bromodomain of human PB1 in complex with compound 10 | | Descriptor: | (3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one, Protein polybromo-1 | | Authors: | Tallant, C, Sutherell, C.L, Siejka, P, Krojer, T, Picaud, S, Fonseca, M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S. | | Deposit date: | 2015-12-21 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.
J.Med.Chem., 59, 2016
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7ZXE
 | | Structure of SNAPc containing Pol II pre-initiation complex bound to U1 snRNA promoter (OC) | | Descriptor: | Non-template strand, TATA-box-binding protein, Template strand, ... | | Authors: | Rengachari, S, Schilbach, S, Kaliyappan, T, Gouge, J, Zumer, K, Schwarz, J, Urlaub, H, Dienemann, C, Vannini, A, Cramer, P. | | Deposit date: | 2022-05-20 | | Release date: | 2022-11-30 | | Last modified: | 2022-12-28 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural basis of SNAPc-dependent snRNA transcription initiation by RNA polymerase II.
Nat.Struct.Mol.Biol., 29, 2022
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4XRP
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4XW6
 | | X-ray structure of PKAc with ADP, free phosphate ion, CP20, magnesium ions | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Gerlits, O, Tian, J, Das, A, Taylor, S, Langan, P, Heller, T.W, Kovalevsky, A. | | Deposit date: | 2015-01-28 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT.
J.Biol.Chem., 290, 2015
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7Q0O
 | | E. coli NfsA | | Descriptor: | FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NADPH nitroreductase | | Authors: | White, S.A, Grainger, A, Parr, R, Day, M.A, Jarrom, D, Graziano, A, Searle, P.F, Hyde, E.I. | | Deposit date: | 2021-10-15 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.96 Å) | | Cite: | The 3D-structure, kinetics and dynamics of the E. coli nitroreductase NfsA with NADP + provide glimpses of its catalytic mechanism.
Febs Lett., 596, 2022
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5FTL
 | | Cryo-EM structure of human p97 bound to ATPgS (Conformation I) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE | | Authors: | Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S. | | Deposit date: | 2016-01-14 | | Release date: | 2016-01-27 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | 2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition
Science, 351, 2016
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5FOM
 | | Crystal structure of the Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with the adduct AMP-AN6426 | | Descriptor: | 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, LEUCYL-TRNA SYNTHETASE, PHOSPHATE ION | | Authors: | Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S. | | Deposit date: | 2015-11-24 | | Release date: | 2016-08-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
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6B44
 | | Cryo-EM structure of Type I-F CRISPR crRNA-guided Csy surveillance complex with bound target dsDNA | | Descriptor: | CRISPR-associated endonuclease Cas6/Csy4, CRISPR-associated protein Csy1, CRISPR-associated protein Csy2, ... | | Authors: | Guo, T.W, Bartesaghi, A, Yang, H, Falconieri, V, Rao, P, Merk, A, Fox, T, Earl, L, Patel, D.J, Subramaniam, S. | | Deposit date: | 2017-09-25 | | Release date: | 2017-10-18 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex.
Cell, 171, 2017
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5F8T
 | | The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-2 | | Descriptor: | CYS-PRO-LYS-ARG-PHE-M70-ALA-LEU-PHE-CYS, Plasma kallikrein light chain, SULFATE ION, ... | | Authors: | Xu, M, Jiang, L, Xu, P, Luo, Z, Andreasen, P, Huang, M. | | Deposit date: | 2015-12-09 | | Release date: | 2016-12-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-2
To Be Published
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5IV7
 | | Cryo-electron microscopy structure of the star-shaped, hubless post-attachment T4 baseplate | | Descriptor: | Baseplate wedge protein gp10, Baseplate wedge protein gp11, Baseplate wedge protein gp25, ... | | Authors: | Taylor, N.M.I, Guerrero-Ferreira, R.C, Goldie, K.N, Stahlberg, H, Leiman, P.G. | | Deposit date: | 2016-03-19 | | Release date: | 2016-05-18 | | Last modified: | 2018-02-07 | | Method: | ELECTRON MICROSCOPY (6.77 Å) | | Cite: | Structure of the T4 baseplate and its function in triggering sheath contraction.
Nature, 533, 2016
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5Y9A
 | | Crystal structure of the complex of peptidyl tRNA hydrolase with a phosphate ion at the substrate binding site and cytarabine at a new ligand binding site at 1.1 A resolution | | Descriptor: | CYTARABINE, PHOSPHATE ION, Peptidyl-tRNA hydrolase | | Authors: | Kaushik, S, Iqbal, N, Singh, N, Singh, P.K, Sharma, S, Singh, T.P. | | Deposit date: | 2017-08-23 | | Release date: | 2017-09-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Search of multiple hot spots on the surface of peptidyl-tRNA hydrolase: structural, binding and antibacterial studies.
Biochem. J., 475, 2018
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6SMK
 | | Crystal structure of catalytic domain A109H mutant of prophage-encoded M23 protein EnpA from Enterococcus faecalis. | | Descriptor: | Peptidase_M23 domain-containing protein, ZINC ION | | Authors: | Malecki, P.H, Mitkowski, P, Czapinska, H, Sabala, I. | | Deposit date: | 2019-08-22 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.997 Å) | | Cite: | Structural Characterization of EnpA D,L-Endopeptidase from Enterococcus faecalis Prophage Provides Insights into Substrate Specificity of M23 Peptidases.
Int J Mol Sci, 22, 2021
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6SMV
 | | Structure of HPV49 E6 protein in complex with MAML1 LxxLL motif | | Descriptor: | DI(HYDROXYETHYL)ETHER, Maltose/maltodextrin-binding periplasmic protein,Protein E6,Mastermind-like protein 1, ZINC ION, ... | | Authors: | Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Kostmann, C, Mitschler, A, Podjarny, A, Trave, G. | | Deposit date: | 2019-08-22 | | Release date: | 2019-09-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Cellular target recognition by HPV18 and HPV49 oncoproteins
To be published
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7ZLI
 | | Cryo-EM structure of C-mannosyltransferase CeDPY19, in complex with Dol25-P-Man and bound to CMT2-Fab and anti-Fab nanobody | | Descriptor: | Anti-Fab nanobody, C-mannosyltransferase dpy-19, CMT2-Fab heavy chain, ... | | Authors: | Bloch, J.S, Mukherjee, S, Boilevin, J, Irobalieva, R, Darbre, T, Reymond, J.L, Kossiakoff, A.A, Goddard-Borger, E.D, Locher, K.P. | | Deposit date: | 2022-04-15 | | Release date: | 2023-01-11 | | Last modified: | 2023-05-10 | | Method: | ELECTRON MICROSCOPY (2.99 Å) | | Cite: | Structure, sequon recognition and mechanism of tryptophan C-mannosyltransferase.
Nat.Chem.Biol., 19, 2023
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7PHF
 | | Chimeric carminomycin-4-O-methyltransferase (DnrK) with regions from 10-hydroxylase RdmB and 10-decarboxylase TamK | | Descriptor: | Carminomycin 4-O-methyltransferase DnrK,Methyltransferase domain-containing protein,Aclacinomycin 10-hydroxylase RdmB, S-ADENOSYL-L-HOMOCYSTEINE, methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate | | Authors: | Dinis, P, MetsaKetela, M. | | Deposit date: | 2021-08-17 | | Release date: | 2022-09-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Evolution-inspired engineering of anthracycline methyltransferases.
Pnas Nexus, 2, 2023
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6SS9
 | | Human Leukocyte Antigen Class I A02 Carrying LLWNGPMHV | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Rizkallah, P.J, Bovay, A. | | Deposit date: | 2019-09-06 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Identification of a superagonist variant of the immunodominant Yellow fever virus epitope NS4b214-222by combinatorial peptide library screening.
Mol.Immunol., 125, 2020
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