6PDV
 
 | | Cu-Carbonic Anhydrase II, A Nitrite Reductase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, Carbonic anhydrase 2, ... | | Authors: | Andring, J.T, McKenna, R. | | Deposit date: | 2019-06-19 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Structure and mechanism of copper-carbonic anhydrase II: a nitrite reductase.
Iucrj, 7, 2020
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6PE7
 | | Crystal Structure of ABBV-323 FAB | | Descriptor: | FAB Heavy Chain, FAB Light chain, SULFATE ION | | Authors: | Argiriadi, M.A. | | Deposit date: | 2019-06-20 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | CD40/anti-CD40 antibody complexes which illustrate agonist and antagonist structural switches.
BMC Mol Cell Biol, 20, 2019
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5M8G
 | | Tubulin-MTD265 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(2-morpholin-4-yl-6-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ... | | Authors: | Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P. | | Deposit date: | 2016-10-28 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.147 Å) | | Cite: | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
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6P2P
 | | Tetrameric structure of ACAT1 | | Descriptor: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name), Sterol O-acyltransferase 1 | | Authors: | Yan, N, Qian, H.W. | | Deposit date: | 2019-05-21 | | Release date: | 2020-05-20 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for catalysis and substrate specificity of human ACAT1.
Nature, 581, 2020
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6P05
 | | Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with compound 27 | | Descriptor: | Bromodomain-containing protein 4, GLYCEROL, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide | | Authors: | Ratia, K.M, Xiong, R, Li, Y, Zhao, J, Gutgesell, L.M, Shen, Z, Dye, K, Dubrovyskyii, O, Zhao, H, Huang, F, Tonetti, D.A, Thatcher, G.R. | | Deposit date: | 2019-05-16 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Novel Pyrrolopyridone Bromodomain and Extra-Terminal Motif (BET) Inhibitors Effective in Endocrine-Resistant ER+ Breast Cancer with Acquired Resistance to Fulvestrant and Palbociclib.
J.Med.Chem., 63, 2020
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8RND
 | | Cathepsin S in complex with NNPI-C10 inhibitor | | Descriptor: | 1,2-ETHANEDIOL, Cathepsin S, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Petruzzella, A, Lau, K, Pojer, F, Oricchio, E. | | Deposit date: | 2024-01-09 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Antibody-peptide conjugates deliver covalent inhibitors blocking oncogenic cathepsins.
Nat.Chem.Biol., 2024
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8RUK
 | | Structure of Oceanobacillus iheyensis group II intron in the presence of Na+, Mg2+, and ARN25850 | | Descriptor: | 2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide, Domains 1-5, MAGNESIUM ION, ... | | Authors: | Silvestri, I, Marcia, M. | | Deposit date: | 2024-01-31 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (4.81 Å) | | Cite: | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
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5TS1
 | | Crystal structure of MHC-I H2-KD complexed with peptides of Mycobacterial tuberculosis (YYQSGLSIV) | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Jiang, J, Natarajan, K, Margulies, D. | | Deposit date: | 2016-10-27 | | Release date: | 2018-05-09 | | Last modified: | 2020-02-05 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | MHC-restricted Ag85B-specific CD8+T cells are enhanced by recombinant BCG prime and DNA boost immunization in mice.
Eur.J.Immunol., 2019
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5MYC
 | | Crystal structure of human 14-3-3 sigma in complex with LRRK2 peptide pS910 | | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Stevers, L.M, de Vries, R.M.J.M, Ottmann, C. | | Deposit date: | 2017-01-26 | | Release date: | 2017-03-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.459 Å) | | Cite: | Structural interface between LRRK2 and 14-3-3 protein.
Biochem. J., 474, 2017
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8RUJ
 | | Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Mg2+, 5'-exon, and ARN25850 after 1h soaking | | Descriptor: | 2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide, Domains 1-5, MAGNESIUM ION, ... | | Authors: | Silvestri, I, Marcia, M. | | Deposit date: | 2024-01-30 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
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5M7K
 | | Blastochloris viridis photosynthetic reaction center - RC_vir_xfel | | Descriptor: | (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ... | | Authors: | Sharma, A.S, Johansson, L, Dunevall, E, Wahlgren, W.Y, Neutze, R, Katona, G. | | Deposit date: | 2016-10-28 | | Release date: | 2017-02-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Asymmetry in serial femtosecond crystallography data.
Acta Crystallogr A Found Adv, 73, 2017
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8RUI
 | | Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Mg2+, 5'-exon, and intronistat B after 1h soaking | | Descriptor: | Domains 1-5, MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Silvestri, I, Marcia, M. | | Deposit date: | 2024-01-30 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
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8RAK
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5MF4
 | | Tubulin-Dictyostatin complex | | Descriptor: | (3~{Z},5~{E},7~{R},8~{S},10~{S},11~{Z},13~{S},14~{R},15~{S},17~{S},20~{R},21~{S},22~{S})-22-[(2~{S},3~{Z})-hexa-3,5-dien-2-yl]-7,13,15,17,21-pentamethyl-8,10,14,20-tetrakis(oxidanyl)-1-oxacyclodocosa-3,5,11-trien-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Trigili, C, Barasoain, I, Sanchez-Murcia, P.A, Bargsten, K, Redondo-Horcajo, M, Nogales, A, Gardner, N.M, Meyer, A, Naylor, G.J, Gomez-Rubio, E, Gago, F, Steinmetz, M.O, Paterson, I, Prota, A.E, Diaz, J.F. | | Deposit date: | 2016-11-17 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Determinants of the Dictyostatin Chemotype for Tubulin Binding Affinity and Antitumor Activity Against Taxane- and Epothilone-Resistant Cancer Cells.
ACS Omega, 1, 2016
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5TUS
 | | Potent competitive inhibition of human ribonucleotide reductase by a novel non-nucleoside small molecule | | Descriptor: | 2-hydroxy-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, ... | | Authors: | Mohammed, F.A, Alam, I, Dealwis, C.G. | | Deposit date: | 2016-11-07 | | Release date: | 2017-08-02 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Potent competitive inhibition of human ribonucleotide reductase by a nonnucleoside small molecule.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6P3V
 | | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT416 | | Descriptor: | DIMETHYL SULFOXIDE, N,N-diethyl-2-[(8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-amine, N-acetyltransferase Eis, ... | | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2019-05-24 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Probing the Robustness of Inhibitors of Tuberculosis Aminoglycoside Resistance Enzyme Eis by Mutagenesis.
Acs Infect Dis., 5, 2019
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8RUN
 | | Structure of Oceanobacillus iheyensis group II intron in the presence of Li+, Mg2+, and ARN25850 | | Descriptor: | 2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Domains 1-5, ... | | Authors: | Silvestri, I, Marcia, M. | | Deposit date: | 2024-01-31 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (3.73 Å) | | Cite: | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
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6P6D
 | | HUMAN IGG1 FC FRAGMENT, C239 INSERTION MUTANT | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, IgG1 Fc fragment | | Authors: | Gallagher, D.T, Dimasi, N, McCullough, C. | | Deposit date: | 2019-06-03 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structure and Dynamics of a Site-Specific Labeled Fc Fragment with Altered Effector Functions.
Pharmaceutics, 11, 2019
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8RUL
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8RUH
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6P9J
 | | crystal structure of human anti staphylococcus aureus antibody STAU-229 Fab | | Descriptor: | TRIS(HYDROXYETHYL)AMINOMETHANE, human anti staphylococcus aureus antibody STAU-229 Fab heavy chain, human anti staphylococcus aureus antibody STAU-229 Fab light chain | | Authors: | Dong, J, Crowe, J.E. | | Deposit date: | 2019-06-10 | | Release date: | 2020-06-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Human V H 1-69 Gene-Encoded Human Monoclonal Antibodies against Staphylococcus aureus IsdB Use at Least Three Distinct Modes of Binding To Inhibit Bacterial Growth and Pathogenesis.
Mbio, 10, 2019
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8S3R
 | | HUMAN PI3KDELTA IN COMPLEX WITH PYRIDAZINONE INHIBITOR 7 | | Descriptor: | 5-[(1~{S})-1-[4-azanyl-3-(5-oxidanylpyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-cyclopentyl-2-(phenylmethyl)pyridazin-3-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Pala, D, Bruno, P, Capelli, A.M, Biagetti, M. | | Deposit date: | 2024-02-20 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Discovery and Optimization of Pyridazinones as PI3K delta Selective Inhibitors for Administration by Inhalation.
J.Med.Chem., 2024
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8S2E
 | | Fab4251-DS-SOSIP complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | | Authors: | Nortier, P, Perez, L. | | Deposit date: | 2024-02-17 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | RAIN: a Machine Learning-based identification for HIV-1 bNAbs.
Res Sq, 2024
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8RUM
 | | Structure of Oceanobacillus iheyensis group II intron in the presence of Li+, Mg2+, and intronistat B | | Descriptor: | Domains 1-5, MAGNESIUM ION, ~{N}-(2-pyrrolidin-1-ylethyl)-2-[3,4,5-tris(oxidanyl)phenyl]carbonyl-1-benzofuran-5-carboxamide | | Authors: | Silvestri, I, Marcia, M. | | Deposit date: | 2024-01-31 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (3.62 Å) | | Cite: | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
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6P8I
 | | N-terminal 5 domains of IGFIIR | | Descriptor: | Cation-independent mannose-6-phosphate receptor, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Olson, L.J, Dahms, N.M, Kim, J.-J.P. | | Deposit date: | 2019-06-07 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Allosteric regulation of lysosomal enzyme recognition by the cation-independent mannose 6-phosphate receptor.
Commun Biol, 3, 2020
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