6YM0
| Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab (crystal form 1) | Descriptor: | Spike glycoprotein, heavy chain, light chain | Authors: | Huo, J, Zhao, Y, Ren, J, Zhou, D, Ginn, H.M, Fry, E.E, Owens, R, Stuart, D.I. | Deposit date: | 2020-04-07 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (4.36 Å) | Cite: | Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike. Cell Host Microbe, 28, 2020
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7SZW
| JAK2 JH2 in complex with JAK249 | Descriptor: | 4-(4-{[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]amino}phenyl)pyridine-2-carboxylic acid, Tyrosine-protein kinase JAK2 | Authors: | Krimmer, S.G, Liosi, M.E, Schlessinger, J, Jorgensen, W.L. | Deposit date: | 2021-11-29 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.90646267 Å) | Cite: | Insights on JAK2 Modulation by Potent, Selective, and Cell-Permeable Pseudokinase-Domain Ligands. J.Med.Chem., 65, 2022
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7TIC
| Structure of the yeast clamp loader (Replication Factor C RFC) bound to the sliding clamp (Proliferating Cell Nuclear Antigen PCNA) in an autoinhibited conformation | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Gaubitz, C, Liu, X, Pajak, J, Stone, N, Hayes, J, Demo, G, Kelch, B.A. | Deposit date: | 2022-01-13 | Release date: | 2022-02-16 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM structures reveal high-resolution mechanism of a DNA polymerase sliding clamp loader. Elife, 11, 2022
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7TKU
| Structure of the yeast clamp loader (Replication Factor C RFC) bound to the open sliding clamp (Proliferating Cell Nuclear Antigen PCNA) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Gaubitz, C, Liu, X, Pajak, J, Stone, N, Hayes, J, Demo, G, Kelch, B.A. | Deposit date: | 2022-01-17 | Release date: | 2022-02-16 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Cryo-EM structures reveal high-resolution mechanism of a DNA polymerase sliding clamp loader. Elife, 11, 2022
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7TI8
| Structure of the yeast clamp loader (Replication Factor C RFC) bound to the open sliding clamp (Proliferating Cell Nuclear Antigen PCNA) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Gaubitz, C, Liu, X, Pajak, J, Stone, N, Hayes, J, Demo, G, Kelch, B.A. | Deposit date: | 2022-01-13 | Release date: | 2022-02-16 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structures reveal high-resolution mechanism of a DNA polymerase sliding clamp loader. Elife, 11, 2022
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7TID
| Structure of the yeast clamp loader (Replication Factor C RFC) bound to the sliding clamp (Proliferating Cell Nuclear Antigen PCNA) and primer-template DNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*AP*GP*AP*CP*AP*CP*TP*AP*CP*GP*AP*GP*TP*AP*CP*AP*TP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*AP*TP*GP*TP*AP*CP*TP*CP*GP*TP*AP*GP*TP*GP*TP*CP*T)-3'), ... | Authors: | Gaubitz, C, Liu, X, Pajak, J, Stone, N, Hayes, J, Demo, G, Kelch, B.A. | Deposit date: | 2022-01-13 | Release date: | 2022-02-16 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures reveal high-resolution mechanism of a DNA polymerase sliding clamp loader. Elife, 11, 2022
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7TIB
| Structure of the yeast clamp loader (Replication Factor C RFC) bound to the open sliding clamp (Proliferating Cell Nuclear Antigen PCNA) and primer-template DNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*AP*GP*AP*CP*AP*CP*TP*AP*CP*GP*AP*GP*TP*AP*CP*AP*TP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*AP*TP*GP*TP*AP*CP*TP*CP*GP*TP*AP*GP*TP*GP*TP*CP*T)-3'), ... | Authors: | Gaubitz, C, Liu, X, Pajak, J, Stone, N, Hayes, J, Demo, G, Kelch, B.A. | Deposit date: | 2022-01-13 | Release date: | 2022-02-16 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structures reveal high-resolution mechanism of a DNA polymerase sliding clamp loader. Elife, 11, 2022
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7THV
| Structure of the yeast clamp loader (Replication Factor C RFC) bound to the sliding clamp (Proliferating Cell Nuclear Antigen PCNA) in an autoinhibited conformation | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Gaubitz, C, Liu, X, Pajak, J, Stone, N, Hayes, J, Demo, G, Kelch, B.A. | Deposit date: | 2022-01-12 | Release date: | 2022-02-16 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Cryo-EM structures reveal high-resolution mechanism of a DNA polymerase sliding clamp loader. Elife, 11, 2022
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7THJ
| Structure of the yeast clamp loader (Replication Factor C RFC) bound to the sliding clamp (Proliferating Cell Nuclear Antigen PCNA) in an autoinhibited conformation | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Gaubitz, C, Liu, X, Pajak, J, Stone, N, Hayes, J, Demo, G, Kelch, B.A. | Deposit date: | 2022-01-11 | Release date: | 2022-02-16 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structures reveal high-resolution mechanism of a DNA polymerase sliding clamp loader. Elife, 11, 2022
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6YOR
| Structure of the SARS-CoV-2 spike S1 protein in complex with CR3022 Fab | Descriptor: | IgG H chain, IgG L chain, Spike glycoprotein | Authors: | Huo, J, Zhao, Y, Ren, J, Zhou, D, Duyvesteyn, H.M.E, Carrique, L, Malinauskas, T, Ruza, R.R, Shah, P.N.M, Fry, E.E, Owens, R, Stuart, D.I. | Deposit date: | 2020-04-15 | Release date: | 2020-04-29 | Last modified: | 2022-04-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike. Cell Host Microbe, 28, 2020
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6YBF
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7THQ
| Crystal structure of PltF trapped with PigG using a proline adenosine vinylsulfonamide inhibitor | Descriptor: | 5'-deoxy-5'-({(2S)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2S)-pyrrolidin-2-yl]ethanesulfonyl}amino)adenosine, AZIDE ION, L-proline--[L-prolyl-carrier protein] ligase, ... | Authors: | Corpuz, J.C, Podust, L.M. | Deposit date: | 2022-01-11 | Release date: | 2022-11-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Essential Role of Loop Dynamics in Type II NRPS Biomolecular Recognition. Acs Chem.Biol., 17, 2022
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7THN
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6YLA
| Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Huo, J, Zhao, Y, Ren, J, Zhou, D, Ginn, H.M, Fry, E.E, Owens, R, Stuart, D.I. | Deposit date: | 2020-04-06 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike. Cell Host Microbe, 28, 2020
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7U5B
| Structure of Human KLK5 bound to anti-KLK5 Fab | Descriptor: | Kallikrein-5, SULFATE ION, anti-KLK5 Fab Heavy Chain, ... | Authors: | Yin, J, Sudhamsu, J. | Deposit date: | 2022-03-02 | Release date: | 2022-12-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.371 Å) | Cite: | Dual antibody inhibition of KLK5 and KLK7 for Netherton syndrome and atopic dermatitis. Sci Transl Med, 14, 2022
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6YF1
| FKBP12 in complex with the BMP potentiator compound 8 at 1.12A resolution | Descriptor: | (1aR,3R,5S,6R,7S,9R,10R,17aS,20S,21R,22S,25R,25aR)-25-Ethyl-10,22-dihydroxy-20-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-5,7-dimethoxy-1a,3,9,21-tetramethyloctadecahydro-2H-6,10-epoxyoxireno[p]pyrido[2,1-c][1,4]oxazacyclotricosine-11,12,18,24(1aH,14H)-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP1A | Authors: | Kallen, J. | Deposit date: | 2020-03-25 | Release date: | 2021-03-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury. Cell Chem Biol, 28, 2021
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6YF2
| FKBP12 in complex with the BMP potentiator compound 6 at 1.03A resolution | Descriptor: | (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ... | Authors: | Kallen, J. | Deposit date: | 2020-03-25 | Release date: | 2021-03-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury. Cell Chem Biol, 28, 2021
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6YF0
| FKBP12 in complex with the BMP potentiator compound 9 at 1.55 A resolution | Descriptor: | 18-HYDROXYASCOMYCIN, Peptidyl-prolyl cis-trans isomerase FKBP1A, SULFATE ION | Authors: | Kallen, J. | Deposit date: | 2020-03-25 | Release date: | 2021-03-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury. Cell Chem Biol, 28, 2021
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6YF3
| FKBP12 in complex with the BMP potentiator compound 10 at 1.00A resolution | Descriptor: | (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ... | Authors: | Kallen, J. | Deposit date: | 2020-03-25 | Release date: | 2021-03-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury. Cell Chem Biol, 28, 2021
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4CQK
| Crystal structure of ligand-bound NaD1 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, FLOWER-SPECIFIC DEFENSIN, SULFATE ION, ... | Authors: | Lay, F.T, Mills, G.M, Poon, I.K.H, Baxter, A.A, Hulett, M.D, Kvansakul, M. | Deposit date: | 2014-02-17 | Release date: | 2014-04-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Phosphoinositide-Mediated Oligomerization of a Defensin Induces Cell Lysis. Elife, 3, 2014
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7U6J
| HalB with lysine and succinate | Descriptor: | Halogenase B, LYSINE, SUCCINIC ACID | Authors: | Sumida, K.H, Neugebauer, M.E, Kissman, E.N, Chang, M.C.Y. | Deposit date: | 2022-03-04 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Biocatalytic control of site-selectivity and chain length-selectivity in radical amino acid halogenases. Proc.Natl.Acad.Sci.USA, 120, 2023
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7U6H
| HalD with ornithine and alpha-ketoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Swenson, C.V, Neugebauer, M.E, Kissman, E.N, Chang, M.C.Y. | Deposit date: | 2022-03-04 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biocatalytic control of site-selectivity and chain length-selectivity in radical amino acid halogenases. Proc.Natl.Acad.Sci.USA, 120, 2023
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7U6I
| HalB with glycine and succinate | Descriptor: | GLYCEROL, GLYCINE, Halogenase B, ... | Authors: | Neugebauer, M.E, Kissman, E.N, Chang, M.C.Y. | Deposit date: | 2022-03-04 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Biocatalytic control of site-selectivity and chain length-selectivity in radical amino acid halogenases. Proc.Natl.Acad.Sci.USA, 120, 2023
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7TYQ
| TEAD2 bound to Compound 1 | Descriptor: | Transcriptional enhancer factor TEF-4, ethyl (8S)-7-oxo-5-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate | Authors: | Noland, C.L, Fong, R. | Deposit date: | 2022-02-14 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Novel mechanism of YAP-TEAD inhibition results in targeted chromatin remodeling and reveals an
expanded Hippo dependent landscape in cancers To Be Published
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7TYU
| TEAD2 bound to Compound 2 | Descriptor: | (3R)-1-[(8S)-5-(4-cyclohexylphenyl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidine-3-carbonitrile, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Transcriptional enhancer factor TEF-4 | Authors: | Noland, C.L, Fong, R. | Deposit date: | 2022-02-14 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Novel mechanism of YAP-TEAD inhibition results in targeted chromatin remodeling and reveals an
expanded Hippo dependent landscape in cancers To Be Published
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