4XUE
| Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd27b | Descriptor: | 2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3H)-one, Catechol O-methyltransferase, MAGNESIUM ION, ... | Authors: | Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M. | Deposit date: | 2015-01-25 | Release date: | 2015-04-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT). Acs Med.Chem.Lett., 6, 2015
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4Y7R
| Crystal structure of WDR5 in complex with MYC MbIIIb peptide | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MYC MbIIIb peptide, ... | Authors: | Sun, Q, Phan, J, Olejniczak, E.T, Thomas, L.R, Fesik, S.W, Tansey, W.P. | Deposit date: | 2015-02-16 | Release date: | 2015-04-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Interaction with WDR5 Promotes Target Gene Recognition and Tumorigenesis by MYC. Mol.Cell, 58, 2015
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6IEA
| Structure of RVFV Gn and human monoclonal antibody R13 | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, NSmGnGc, ... | Authors: | Wang, Q.H, Wu, Y, Gao, F, Qi, J.X, Gao, G.F. | Deposit date: | 2018-09-13 | Release date: | 2019-04-10 | Last modified: | 2019-07-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Neutralization mechanism of human monoclonal antibodies against Rift Valley fever virus. Nat Microbiol, 4, 2019
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6IEB
| Structure of RVFV Gn and human monoclonal antibody R15 | Descriptor: | NSmGnGc, R15 H chain, R15 L chain | Authors: | Wang, Q.H, Wu, Y, Gao, F, Qi, J.X, Gao, G.F. | Deposit date: | 2018-09-13 | Release date: | 2019-04-10 | Last modified: | 2019-07-10 | Method: | X-RAY DIFFRACTION (2.409 Å) | Cite: | Neutralization mechanism of human monoclonal antibodies against Rift Valley fever virus. Nat Microbiol, 4, 2019
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5VGO
| Bruton's tyrosine kinase (BTK) with compound G-744 | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(hydroxymethyl)-3-{1-methyl-6-oxo-5-[(pyrimidin-4-yl)amino]-1,6-dihydropyridin-3-yl}phenyl]-6,6-dimethyl-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-c]pyridin-1(5H)-one, GLYCEROL, ... | Authors: | Yu, C, Eigenbrot, C. | Deposit date: | 2017-04-11 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.621 Å) | Cite: | Discovery of Potent and Selective Tricyclic Inhibitors of Bruton's Tyrosine Kinase with Improved Druglike Properties. ACS Med Chem Lett, 8, 2017
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5VJS
| De Novo Photosynthetic Reaction Center Protein Equipped with Heme B, a synthetic Zn porphyrin, and Zn(II) cations | Descriptor: | CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, Reaction Center Maquette, ... | Authors: | Ennist, N.M, Dutton, P.L, Stayrook, S.E, Moser, C.C. | Deposit date: | 2017-04-19 | Release date: | 2018-04-25 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | De novo protein design of photochemical reaction centers. Nat Commun, 13, 2022
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5VJU
| De Novo Photosynthetic Reaction Center Protein Variant Equipped with His-Tyr H-bond, Heme B, and Cd(II) ions | Descriptor: | CADMIUM ION, PROTOPORPHYRIN IX CONTAINING FE, Reaction Center Maquette Leu71His variant | Authors: | Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C. | Deposit date: | 2017-04-19 | Release date: | 2018-04-25 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | De novo protein design of photochemical reaction centers. Nat Commun, 13, 2022
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6IEC
| Structure of RVFV Gn and human monoclonal antibody R17 | Descriptor: | NSmGnGc, R17 H chain, R17 L chain | Authors: | Wang, Q.H, Wu, Y, Gao, F, Qi, J.X, Gao, G.F. | Deposit date: | 2018-09-13 | Release date: | 2019-04-10 | Last modified: | 2019-07-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Neutralization mechanism of human monoclonal antibodies against Rift Valley fever virus. Nat Microbiol, 4, 2019
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5VJT
| De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Zn(II) cations | Descriptor: | CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, Reaction Center Maquette, ... | Authors: | Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C. | Deposit date: | 2017-04-19 | Release date: | 2018-04-25 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | De novo protein design of photochemical reaction centers. Nat Commun, 13, 2022
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6ITQ
| Crystal structure of cortisol complexed with its nanobody at pH 10.5 | Descriptor: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, SULFATE ION, anti-cortisol camelid antibody | Authors: | Ding, Y, Ding, L.L, Wang, Z.Y, Zhong, P.Y. | Deposit date: | 2018-11-24 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.526 Å) | Cite: | Structural insights into the mechanism of single domain VHH antibody binding to cortisol. Febs Lett., 593, 2019
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7BW6
| Varicella-zoster virus capsid | Descriptor: | Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ... | Authors: | Wang, P.Y, Qi, J.X, Liu, C.C, Sun, J.Q. | Deposit date: | 2020-04-13 | Release date: | 2020-09-23 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryo-EM structure of the varicella-zoster virus A-capsid. Nat Commun, 11, 2020
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6VOV
| Crystal structure of Syk in complex with GS-9876 | Descriptor: | 6-(6-aminopyrazin-2-yl)-N-{4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl}imidazo[1,2-a]pyrazin-8-amine, Tyrosine-protein kinase SYK | Authors: | Lansdon, E.B. | Deposit date: | 2020-01-31 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of Lanraplenib (GS-9876): A Once-Daily Spleen Tyrosine Kinase Inhibitor for Autoimmune Diseases. Acs Med.Chem.Lett., 11, 2020
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6ITP
| Crystal structure of cortisol complexed with its nanobody at pH 3.5 | Descriptor: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, anti-cortisol camelid antibody | Authors: | Ding, Y, Ding, L.L, Wang, Z.Y, Zhong, P.Y. | Deposit date: | 2018-11-24 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.572 Å) | Cite: | Structural insights into the mechanism of single domain VHH antibody binding to cortisol. Febs Lett., 593, 2019
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6WIN
| Type 6 secretion amidase effector 2 (Tae2) | Descriptor: | Type 6 secretion amidase effector 2 | Authors: | Chou, S, Radkov, A.D. | Deposit date: | 2020-04-10 | Release date: | 2020-04-22 | Last modified: | 2021-05-05 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Ticks Resist Skin Commensals with Immune Factor of Bacterial Origin. Cell, 183, 2020
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3K5D
| Crystal Structure of BACE-1 in complex with AHM178 | Descriptor: | Beta-secretase 1, N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide | Authors: | Rondeau, J.-M. | Deposit date: | 2009-10-07 | Release date: | 2010-05-05 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3K5G
| Human bace-1 complex with bjc060 | Descriptor: | (1R,3S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(1-methylethyl)benzyl]amino}propyl]-3-[1-methyl-1-(2-oxopiperidin-1-yl)ethyl]cyclohexanecarboxamide, Beta-secretase 1 | Authors: | Rondeau, J.-M. | Deposit date: | 2009-10-07 | Release date: | 2010-05-05 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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5XM2
| Human N-terminal domain of FACT complex subunit SPT16 | Descriptor: | DI(HYDROXYETHYL)ETHER, FACT complex subunit SPT16, GLYCEROL | Authors: | Xu, S, Li, H, Dou, Y, Chen, Y, Jiang, H, Lu, D, Wang, M, Su, D. | Deposit date: | 2017-05-12 | Release date: | 2018-05-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.187 Å) | Cite: | The structural basis of human Spt16 N-terminal domain interaction with histone (H3-H4)2tetramer. Biochem.Biophys.Res.Commun., 508, 2019
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3K5F
| Human BACE-1 COMPLEX WITH AYH011 | Descriptor: | (1R,3S)-3-[1-(acetylamino)-1-methylethyl]-N-[(1S,2S,4R)-1-benzyl-5-(butylamino)-2-hydroxy-4-methyl-5-oxopentyl]cyclohexanecarboxamide, Beta-secretase 1 | Authors: | Rondeau, J.-M. | Deposit date: | 2009-10-07 | Release date: | 2010-05-05 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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7LGU
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7LGW
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7LH3
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7LH2
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7Y67
| Cryo-EM structure of C089-bound C5aR1(I116A) mutant in complex with Gi protein | Descriptor: | C089 peptide, C5a anaphylatoxin chemotactic receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H. | Deposit date: | 2022-06-18 | Release date: | 2023-03-01 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Mechanism of activation and biased signaling in complement receptor C5aR1. Cell Res., 33, 2023
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7Y65
| Cryo-EM structure of C5a peptide-bound C5aR1 in complex with Gi protein | Descriptor: | C5a anaphylatoxin chemotactic receptor 1, C5apep peptide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H. | Deposit date: | 2022-06-18 | Release date: | 2023-03-01 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Mechanism of activation and biased signaling in complement receptor C5aR1. Cell Res., 33, 2023
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7Y66
| Cryo-EM structure of BM213-bound C5aR1 in complex with Gi protein | Descriptor: | BM213 peptide, C5a anaphylatoxin chemotactic receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H. | Deposit date: | 2022-06-18 | Release date: | 2023-03-01 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Mechanism of activation and biased signaling in complement receptor C5aR1. Cell Res., 33, 2023
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