6T9R
 
 | | Aplysia californica AChBP in complex with a cytisine derivative | | Descriptor: | (1~{R},9~{S})-5-(3-oxidanylpropyl)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine binding protein, ... | | Authors: | Davis, S, Hunter, W.N. | | Deposit date: | 2019-10-28 | | Release date: | 2020-02-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | The thermodynamic profile and molecular interactions of a C(9)-cytisine derivative-binding acetylcholine-binding protein from Aplysia californica.
Acta Crystallogr.,Sect.F, 76, 2020
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6RU8
 | | Crystal structure of Casein Kinase I delta (CK1d) in complex with triple phosphorylated p63 PAD3P peptide | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Casein kinase I isoform delta, ... | | Authors: | Chaikuad, A, Tuppi, M, Gebel, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Dotsch, V, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-05-27 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | p63 uses a switch-like mechanism to set the threshold for induction of apoptosis.
Nat.Chem.Biol., 16, 2020
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8AJJ
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6S3D
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6RMF
 | | Crystal structure of NDM-1 with VNRX-5133 | | Descriptor: | (10aR)-2-(((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10H-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide, (4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, Metallo-beta-lactamase type 2, ... | | Authors: | Hinchliffe, P, Spencer, J, Brem, J, Schofield, C.J. | | Deposit date: | 2019-05-06 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-beta-Lactamases.
J.Med.Chem., 62, 2019
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7S02
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7ZGV
 | | Serratia NucC bound to cA3 | | Descriptor: | ACETATE ION, CALCIUM ION, RNA (5'-R(P*AP*AP*A)-3'), ... | | Authors: | Garcia-Doval, C, Mayo-Munoz, D, Smith, L.M, Fineran, P.C. | | Deposit date: | 2022-04-04 | | Release date: | 2022-10-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Type III CRISPR-Cas provides resistance against nucleus-forming jumbo phages via abortive infection.
Mol.Cell, 82, 2022
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8DI7
 | | CMY-2 | | Descriptor: | Beta-lactamase, SULFATE ION | | Authors: | Ahmadvand, P, Call, D.R. | | Deposit date: | 2022-06-28 | | Release date: | 2023-06-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structural characterization of CMY-2 and its interactions with ampicillin and the cephalosporins - ceftiofur, DFC, DFC-dimer, DFC-cysteine, and nitrocefin
To Be Published
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8D9X
 | | Cryo-EM structure of human DELE1 in oligomeric form | | Descriptor: | Maltodextrin-binding protein,DAP3-binding cell death enhancer 1 short form | | Authors: | Yang, J, Lander, G.C. | | Deposit date: | 2022-06-11 | | Release date: | 2023-06-14 | | Last modified: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | DELE1 oligomerization promotes integrated stress response activation.
Nat.Struct.Mol.Biol., 30, 2023
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8AJK
 | | Crystal structure of a C43S variant from the disulfide reductase MerA from Staphylococcus aureus | | Descriptor: | FAD-containing oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Weiland, P, Altegoer, F, Bange, G. | | Deposit date: | 2022-07-28 | | Release date: | 2023-03-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | MerA functions as a hypothiocyanous acid reductase and defense mechanism in Staphylococcus aureus.
Mol.Microbiol., 119, 2023
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6YYN
 | | Structure of Cathepsin S in complex with Compound 14 | | Descriptor: | CITRATE ANION, Cathepsin S, SULFATE ION, ... | | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | | Deposit date: | 2020-05-05 | | Release date: | 2021-05-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
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6YXM
 | | Crystal structure of ACPA 1F2 in complex with CII-C-39-CIT | | Descriptor: | ACPA 1F2 Fab fragment - heavy chain, ACPA 1F2 Fab fragment - light chain, CII-C-39-CIT, ... | | Authors: | Ge, C, Holmdahl, R. | | Deposit date: | 2020-05-03 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Surface Ig variable domain glycosylation affects autoantigen binding and acts as threshold for human autoreactive B cell activation.
Sci Adv, 8, 2022
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6YXK
 | | Crystal structure of ACPA 3F3 in complex with cit-vimentin 59-74 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACPA 3F3 Fab fragment - heavy chain, ACPA 3F3 Fab fragment - light chain, ... | | Authors: | Ge, C, Holmdahl, R. | | Deposit date: | 2020-05-03 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Surface Ig variable domain glycosylation affects autoantigen binding and acts as threshold for human autoreactive B cell activation.
Sci Adv, 8, 2022
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6YYO
 | | Structure of Cathepsin S in complex with Compound 1 | | Descriptor: | 1,2-ETHANEDIOL, 6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine, CITRATE ANION, ... | | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | | Deposit date: | 2020-05-05 | | Release date: | 2021-05-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
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7U0K
 | | IOMA class antibody Fab ACS124 | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, IOMA Class antibody ACS124 Heavy chain, IOMA Class antibody ACS124 Light chain | | Authors: | Farokhi, E, Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2022-02-18 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Identification of IOMA-class neutralizing antibodies targeting the CD4-binding site on the HIV-1 envelope glycoprotein.
Nat Commun, 13, 2022
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7U04
 | | IOMA class antibody ACS101 | | Descriptor: | GLYCEROL, IOMA class antibody ACS101 heavy chain, IOMA class antibody ACS101 light chain | | Authors: | Farokhi, E, Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2022-02-17 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Identification of IOMA-class neutralizing antibodies targeting the CD4-binding site on the HIV-1 envelope glycoprotein.
Nat Commun, 13, 2022
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6SEL
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7TY3
 | | Crystal Structure of SETD2 Bound to an Indole-based Inhibitor | | Descriptor: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETD2, N-[(1R,3R)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide, ... | | Authors: | Farrow, N.A. | | Deposit date: | 2022-02-11 | | Release date: | 2022-08-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Conformational-Design-Driven Discovery of EZM0414: A Selective, Potent SETD2 Inhibitor for Clinical Studies.
Acs Med.Chem.Lett., 13, 2022
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7TY2
 | | Crystal Structure of SETD2 Bound to an Indole-based Inhibitor | | Descriptor: | Histone-lysine N-methyltransferase SETD2, N-[(1R,3S)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide, S-ADENOSYLMETHIONINE, ... | | Authors: | Farrow, N.A. | | Deposit date: | 2022-02-11 | | Release date: | 2022-08-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.438 Å) | | Cite: | Conformational-Design-Driven Discovery of EZM0414: A Selective, Potent SETD2 Inhibitor for Clinical Studies.
Acs Med.Chem.Lett., 13, 2022
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7CVK
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7CVJ
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7CVL
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6TAE
 | | Neutron structure of ferric ascorbate peroxidase | | Descriptor: | Ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Kwon, H, Basran, J, Devos, J.M, Schrader, T.E, Ostermann, A, Blakeley, M.P, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2019-10-29 | | Release date: | 2020-03-18 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION | | Cite: | Visualizing the protons in a metalloenzyme electron proton transfer pathway.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6KD1
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1RWZ
 | | Crystal Structure of Proliferating Cell Nuclear Antigen (PCNA) from A. fulgidus | | Descriptor: | DNA polymerase sliding clamp | | Authors: | Chapados, B.R, Hosfield, D.J, Han, S, Qiu, J, Yelent, B, Shen, B, Tainer, J.A. | | Deposit date: | 2003-12-17 | | Release date: | 2004-01-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis for FEN-1 Substrate Specificity and PCNA-Mediated Activation in DNA Replication and Repair
Cell(Cambridge,Mass.), 116, 2004
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