4TZ4
| Crystal Structure of Human Cereblon in Complex with DDB1 and Lenalidomide | Descriptor: | DNA damage-binding protein 1, Protein cereblon, S-Lenalidomide, ... | Authors: | Chamberlain, P.P, Pagarigan, B, Delker, S, Leon, B, Riley, M. | Deposit date: | 2014-07-09 | Release date: | 2014-08-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Structural Basis for Responsiveness to Thalidomide-Analog Drugs Defined by the Crystal Structure of the Human Cereblon:DDB1:Lenalidomide Complex To Be Published
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6V3W
| Human Poly(ADP-Ribose) Polymerase 12, Catalytic fragment with four point mutations in complex with RBN-2397 | Descriptor: | 5-{[(2S)-1-(3-oxo-3-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}propoxy)propan-2-yl]amino}-4-(trifluoromethyl)pyridazin-3(2H)-one, CHLORIDE ION, Protein mono-ADP-ribosyltransferase PARP12 | Authors: | Swinger, K.K, Gozgit, J.M, Vasbinder, M.M, Wigle, T.J, Kuntz, K.W. | Deposit date: | 2019-11-26 | Release date: | 2020-12-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | PARP7 negatively regulates the type I interferon response in cancer cells and its inhibition triggers antitumor immunity. Cancer Cell, 39, 2021
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6W65
| Human PARP16 in complex with RBN010860 | Descriptor: | 1,2-ETHANEDIOL, 5-{5-[(piperidin-4-yl)oxy]-2H-isoindol-2-yl}-4-(trifluoromethyl)pyridazin-3(2H)-one, CITRIC ACID, ... | Authors: | Swinger, K.K, Wigle, T.J, Kuntz, K.W. | Deposit date: | 2020-03-16 | Release date: | 2020-10-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | In Vitro and Cellular Probes to Study PARP Enzyme Target Engagement. Cell Chem Biol, 27, 2020
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6WRO
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6WRY
| CRYSTAL STRUCTURE OF INOSITOL POLYPHOSPHATE 1-PHOSPHATASE INPP1 IN COMPLEX GADOLINIUM AFTER ADDITION OF INOSITOL 1,3,4-TRISPHOSPHATE AT 2.5 ANGSTROM RESOLUTION | Descriptor: | GADOLINIUM ATOM, Inositol polyphosphate 1-phosphatase, SULFATE ION | Authors: | Dollins, D.R, Endo-Streeter, S, York, J.D. | Deposit date: | 2020-04-30 | Release date: | 2020-11-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A structural basis for lithium and substrate binding of an inositide phosphatase. J.Biol.Chem., 296, 2020
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6WRR
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6WE3
| Human PARP14 (ARTD8), catalytic fragment in complex with compound 3 | Descriptor: | 1,2-ETHANEDIOL, 2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}-8-methylquinazolin-4(3H)-one, DI(HYDROXYETHYL)ETHER, ... | Authors: | Swinger, K.S, Schenkel, L.B, Kuntz, K.W. | Deposit date: | 2020-04-01 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A potent and selective PARP14 inhibitor decreases protumor macrophage gene expression and elicits inflammatory responses in tumor explants. Cell Chem Biol, 28, 2021
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6WE2
| Human PARP14 (ARTD8), catalytic fragment in complex with RBN012759 | Descriptor: | 1,2-ETHANEDIOL, 7-(cyclopropylmethoxy)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one, Isoform 1 of Protein mono-ADP-ribosyltransferase PARP14 | Authors: | Swinger, K.K, Schenkel, L.B, Kuntz, K.W. | Deposit date: | 2020-04-01 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | A potent and selective PARP14 inhibitor decreases protumor macrophage gene expression and elicits inflammatory responses in tumor explants. Cell Chem Biol, 28, 2021
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6WE4
| Human PARP14 (ARTD8), catalytic fragment in complex with compound 2 | Descriptor: | 1,2-ETHANEDIOL, 2-methyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 8-methyl-2-{[(pyridin-4-yl)sulfanyl]methyl}quinazolin-4(3H)-one, ... | Authors: | Swinger, K.S, Schenkel, L.B, Kuntz, K.W. | Deposit date: | 2020-04-01 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A potent and selective PARP14 inhibitor decreases protumor macrophage gene expression and elicits inflammatory responses in tumor explants. Cell Chem Biol, 28, 2021
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6LCY
| Crystal structure of Synaptotagmin-7 C2B in complex with IP6 | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Synaptotagmin-7 | Authors: | Zhang, Y, Zhang, X, Rao, F, Wang, C. | Deposit date: | 2019-11-20 | Release date: | 2021-03-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | 5-IP 7 is a GPCR messenger mediating neural control of synaptotagmin-dependent insulin exocytosis and glucose homeostasis. Nat Metab, 3, 2021
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6LS5
| Structure of human liver FBPase complexed with covalent allosteric inhibitor | Descriptor: | 2-(ethyldisulfanyl)-1,3-benzothiazole, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ... | Authors: | Yunyuan, H, Rongrong, S, Yixiang, X, Shuaishuai, N, Yanliang, R, Jian, L, Jian, W. | Deposit date: | 2020-01-17 | Release date: | 2020-05-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.031 Å) | Cite: | Identification of the New Covalent Allosteric Binding Site of Fructose-1,6-bisphosphatase with Disulfiram Derivatives toward Glucose Reduction. J.Med.Chem., 63, 2020
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4K7F
| Newly identified epitope V60 from HBV core protein complexed with HLA-A*0201 | Descriptor: | Beta-2-microglobulin, Core protein, HLA class I histocompatibility antigen, ... | Authors: | Meng, S.D, Zhang, Y, Wu, Y, Qi, J.X. | Deposit date: | 2013-04-17 | Release date: | 2013-06-05 | Last modified: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The L60V variation in hepatitis B virus core protein elicits new epitope-specific cytotoxic T lymphocytes and enhances viral replication. J.Virol., 87, 2013
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6LUK
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6LUI
| Crystal structure of the SAMD1 WH domain and DNA complex | Descriptor: | Atherin, DNA (5'-D(*AP*CP*CP*TP*GP*CP*GP*CP*AP*CP*CP*AP*T)-3'), DNA (5'-D(*AP*TP*GP*GP*TP*GP*CP*GP*CP*AP*GP*GP*T)-3') | Authors: | Zhou, Y, Cao, Y, Wang, Z. | Deposit date: | 2020-01-29 | Release date: | 2021-02-03 | Last modified: | 2021-07-07 | Method: | X-RAY DIFFRACTION (1.781 Å) | Cite: | The SAM domain-containing protein 1 (SAMD1) acts as a repressive chromatin regulator at unmethylated CpG islands. Sci Adv, 7, 2021
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6LUJ
| Crystal structure of the SAMD1 SAM domain | Descriptor: | Atherin, SULFATE ION | Authors: | Cao, Y, Zhou, Y, Wang, Z. | Deposit date: | 2020-01-29 | Release date: | 2021-02-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | The SAM domain-containing protein 1 (SAMD1) acts as a repressive chromatin regulator at unmethylated CpG islands. Sci Adv, 7, 2021
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6IIK
| USP14 catalytic domain with IU1 | Descriptor: | 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14 | Authors: | Mei, Z.Q, Wang, Y.W, He, W, Wang, F. | Deposit date: | 2018-10-06 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade. Cell Res., 28, 2018
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4L08
| Crystal structure of the maleamate amidase Ami(C149A) in complex with maleate from Pseudomonas putida S16 | Descriptor: | Hydrolase, isochorismatase family, MALEIC ACID | Authors: | Chen, D.D, Lu, Y, Zhang, Z, Wu, G, Xu, P. | Deposit date: | 2013-05-31 | Release date: | 2014-07-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Structural insights into the specific recognition of N-heterocycle biodenitrogenation-derived substrates by microbial amide hydrolases. Mol.Microbiol., 91, 2014
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6IIM
| USP14 catalytic domain with IU1-206 | Descriptor: | 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14 | Authors: | Mei, Z.Q, Wang, J.W, Wang, F, Wang, Y.W. | Deposit date: | 2018-10-07 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade. Cell Res., 28, 2018
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6IIN
| USP14 catalytic domain with IU1-248 | Descriptor: | 4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzonitrile, Ubiquitin carboxyl-terminal hydrolase 14 | Authors: | Mei, Z.Q, Wang, J.W, Wang, F, Wang, Y.W. | Deposit date: | 2018-10-07 | Release date: | 2018-12-19 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade. Cell Res., 28, 2018
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4L07
| Crystal structure of the maleamate amidase Ami from Pseudomonas putida S16 | Descriptor: | GLYCEROL, Hydrolase, isochorismatase family, ... | Authors: | Chen, D.D, Lu, Y, Zhang, Z, Wu, G, Xu, P. | Deposit date: | 2013-05-30 | Release date: | 2014-07-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural insights into the specific recognition of N-heterocycle biodenitrogenation-derived substrates by microbial amide hydrolases. Mol.Microbiol., 91, 2014
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6IIL
| USP14 catalytic domain bind to IU1-47 | Descriptor: | 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14 | Authors: | Mei, Z.Q, Wang, Y.W, Wang, F, Wang, J.W, He, W, Ding, S, Li, J.W. | Deposit date: | 2018-10-07 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade. Cell Res., 28, 2018
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6JKV
| PppA, a key regulatory component of T6SS in Pseudomonas aeruginosa | Descriptor: | MANGANESE (II) ION, PppA | Authors: | Wang, T, Liu, L, Wu, Y, Li, D. | Deposit date: | 2019-03-02 | Release date: | 2019-06-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of PppA from Pseudomonas aeruginosa, a key regulatory component of type VI secretion systems. Biochem.Biophys.Res.Commun., 516, 2019
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7X2M
| Crystal structure of nanobody 1-2C7 with SARS-CoV-2 RBD | Descriptor: | 1-2C7, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1 | Authors: | Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X. | Deposit date: | 2022-02-25 | Release date: | 2022-12-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses. Nat Commun, 13, 2022
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7X2L
| Crystal structure of nanobody 3-2A2-4 with SARS-CoV-2 RBD | Descriptor: | Nanobody 3-2A2-4, Spike protein S1, 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 | Authors: | Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X. | Deposit date: | 2022-02-25 | Release date: | 2022-12-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses. Nat Commun, 13, 2022
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7X2J
| Crystal structure of nanobody Nb70 with SARS-CoV RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Nb70, Spike protein S1 | Authors: | Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X. | Deposit date: | 2022-02-25 | Release date: | 2022-12-21 | Last modified: | 2023-06-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses. Nat Commun, 13, 2022
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