7DD6
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![BU of 7dd6 by Molmil](/molmil-images/mine/7dd6) | Structure of Ca2+/L-Trp-bonnd Calcium-Sensing Receptor in active state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Wen, T.L, Yang, X, Shen, Y.Q. | Deposit date: | 2020-10-27 | Release date: | 2021-06-16 | Last modified: | 2021-06-23 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis for activation and allosteric modulation of full-length calcium-sensing receptor. Sci Adv, 7, 2021
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7YF5
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6B76
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![BU of 6b76 by Molmil](/molmil-images/mine/6b76) | Crystal Structure of human NAMPT in complex with NVP-LVR596 | Descriptor: | (1S,2S)-N-{4-[(1S)-1-(propanoylamino)ethyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Weihofen, W.A, Thigale, S. | Deposit date: | 2017-10-03 | Release date: | 2018-10-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors To Be Published
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6AZJ
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![BU of 6azj by Molmil](/molmil-images/mine/6azj) | Crystal Structure of human NAMPT in complex with NVP-LQN520 | Descriptor: | (1S,2S)-N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide, Nicotinamide phosphoribosyltransferase | Authors: | Weihofen, W.A, Thigale, S. | Deposit date: | 2017-09-11 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors To Be Published
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6B75
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![BU of 6b75 by Molmil](/molmil-images/mine/6b75) | Crystal Structure of human NAMPT in complex with NVP-LOQ594 | Descriptor: | 4-[(piperazin-1-yl)methyl]-N-{[4-({[(pyridin-3-yl)methyl]carbamoyl}amino)phenyl]methyl}benzamide, Nicotinamide phosphoribosyltransferase | Authors: | Weihofen, W.A, Thigale, S. | Deposit date: | 2017-10-03 | Release date: | 2018-10-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors To Be Published
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6LQO
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![BU of 6lqo by Molmil](/molmil-images/mine/6lqo) | EBV tegument protein BBRF2/BSRF1 complex | Descriptor: | ACETATE ION, Cytoplasmic envelopment protein 1, GLYCEROL, ... | Authors: | He, H.P, Luo, M, Cao, Y.L, Gao, S. | Deposit date: | 2020-01-14 | Release date: | 2020-10-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.0911262 Å) | Cite: | Structure of Epstein-Barr virus tegument protein complex BBRF2-BSRF1 reveals its potential role in viral envelopment. Nat Commun, 11, 2020
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6LQN
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![BU of 6lqn by Molmil](/molmil-images/mine/6lqn) | EBV tegument protein BBRF2 | Descriptor: | Cytoplasmic envelopment protein 1, NITRATE ION, SULFATE ION | Authors: | He, H.P, Luo, M, Cao, Y.L, Gao, S. | Deposit date: | 2020-01-14 | Release date: | 2020-10-07 | Last modified: | 2021-04-21 | Method: | X-RAY DIFFRACTION (1.600022 Å) | Cite: | Structure of Epstein-Barr virus tegument protein complex BBRF2-BSRF1 reveals its potential role in viral envelopment. Nat Commun, 11, 2020
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6ATB
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![BU of 6atb by Molmil](/molmil-images/mine/6atb) | Crystal Structure of human NAMPT in complex with NVP-LOD812 | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-N'-[(pyridin-3-yl)methyl]urea, ... | Authors: | Weihofen, W.A, Thigale, S. | Deposit date: | 2017-08-28 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors To Be Published
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6K5M
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![BU of 6k5m by Molmil](/molmil-images/mine/6k5m) | The crystal structure of a serotonin N-acetyltransferase from Oryza Sativa (Rice) | Descriptor: | Serotonin N-acetyltransferase 1, chloroplastic | Authors: | Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X. | Deposit date: | 2019-05-29 | Release date: | 2020-06-03 | Last modified: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.793 Å) | Cite: | Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis. Angew.Chem.Int.Ed.Engl., 60, 2021
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6KHN
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![BU of 6khn by Molmil](/molmil-images/mine/6khn) | Crystal structure of Oryza sativa TDC with PLP and SEROTONIN | Descriptor: | ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X. | Deposit date: | 2019-07-16 | Release date: | 2020-07-15 | Method: | X-RAY DIFFRACTION (2.293 Å) | Cite: | Crystal structure ofOryza sativaTDC reveals the substrate specificity for TDC-mediated melatonin biosynthesis. J Adv Res, 24, 2020
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7WJS
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![BU of 7wjs by Molmil](/molmil-images/mine/7wjs) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13157 | Descriptor: | 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-07 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WKY
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![BU of 7wky by Molmil](/molmil-images/mine/7wky) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13153 | Descriptor: | 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-12 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WMU
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![BU of 7wmu by Molmil](/molmil-images/mine/7wmu) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13146 | Descriptor: | 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, ~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-17 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WNI
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![BU of 7wni by Molmil](/molmil-images/mine/7wni) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13158 | Descriptor: | 1,2-ETHANEDIOL, 7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-18 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WN5
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![BU of 7wn5 by Molmil](/molmil-images/mine/7wn5) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13142 | Descriptor: | 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, POTASSIUM ION, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-17 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WLN
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![BU of 7wln by Molmil](/molmil-images/mine/7wln) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13153 | Descriptor: | 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-13 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WMQ
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![BU of 7wmq by Molmil](/molmil-images/mine/7wmq) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13157 | Descriptor: | 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, FORMIC ACID, GLYCEROL, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-16 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WNA
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![BU of 7wna by Molmil](/molmil-images/mine/7wna) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13120 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Isoform 4 of Bromodomain-containing protein 2, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-17 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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3R9X
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![BU of 3r9x by Molmil](/molmil-images/mine/3r9x) | Crystal structure of Era in complex with MgGDPNP, nucleotides 1506-1542 of 16S ribosomal RNA, and KsgA | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, GTPase Era, ... | Authors: | Tu, C, Ji, X. | Deposit date: | 2011-03-26 | Release date: | 2011-06-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Era GTPase recognizes the GAUCACCUCC sequence and binds helix 45 near the 3' end of 16S rRNA. Proc.Natl.Acad.Sci.USA, 108, 2011
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7F7G
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![BU of 7f7g by Molmil](/molmil-images/mine/7f7g) | a linear Peptide Inhibitors in complex with GK domain | Descriptor: | DLG4 GK domain, UNK-ARG-ILE-ARG-ARG-ASP-GLU-TYR-LEU-LYS-ALA-ILE-GLN-UNK | Authors: | Shang, Y, Huang, X, Li, X, Zhang, M. | Deposit date: | 2021-06-29 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.446 Å) | Cite: | Entropy of stapled peptide inhibitors in free state is the major contributor to the improvement of binding affinity with the GK domain. Rsc Chem Biol, 2, 2021
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3R9W
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7WG3
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![BU of 7wg3 by Molmil](/molmil-images/mine/7wg3) | Structural basis of interleukin-17B receptor in complex with a neutralizing antibody D9 for guiding humanization and affinity maturation for cancer therapy | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D9 Fab, IL17RB protein, ... | Authors: | Lee, W.H, Chen, X.R, Liu, I.J, Lee, J.H, Hu, C.M, Wu, H.C, Wang, S.K, Lee, W.H, Ma, C. | Deposit date: | 2021-12-28 | Release date: | 2022-11-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structural basis of interleukin-17B receptor in complex with a neutralizing antibody for guiding humanization and affinity maturation. Cell Rep, 41, 2022
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7CKG
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![BU of 7ckg by Molmil](/molmil-images/mine/7ckg) | Crystal structure of TMSiPheRS complexed with TMSiPhe | Descriptor: | 4-(trimethylsilyl)-L-phenylalanine, Tyrosine--tRNA ligase | Authors: | Sun, J.P, Wang, J.Y, Zhu, Z.L, He, Q.T, Xiao, P. | Deposit date: | 2020-07-17 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.053 Å) | Cite: | DeSiphering receptor core-induced and ligand-dependent conformational changes in arrestin via genetic encoded trimethylsilyl 1 H-NMR probe. Nat Commun, 11, 2020
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7CKH
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![BU of 7ckh by Molmil](/molmil-images/mine/7ckh) | Crystal structure of TMSiPheRS | Descriptor: | Tyrosine--tRNA ligase | Authors: | Sun, J.P, Wang, J.Y, Zhu, Z.L, He, Q.T, Xiao, P. | Deposit date: | 2020-07-17 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.79492676 Å) | Cite: | DeSiphering receptor core-induced and ligand-dependent conformational changes in arrestin via genetic encoded trimethylsilyl 1 H-NMR probe. Nat Commun, 11, 2020
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7X9X
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![BU of 7x9x by Molmil](/molmil-images/mine/7x9x) | Thermotoga Maritima ferritin variant-Tm-E(G40E) with Zn | Descriptor: | FE (III) ION, Ferritin, ZINC ION | Authors: | Liu, Y, Zhao, G. | Deposit date: | 2022-03-16 | Release date: | 2023-02-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Directed Self-Assembly of Dimeric Building Blocks into Networklike Protein Origami to Construct Hydrogels. Acs Nano, 16, 2022
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