7DCX
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5K6J
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![BU of 5k6j by Molmil](/molmil-images/mine/5k6j) | Human Phospodiesterase 4B in complex with pyridyloxy-benzoxaborole based inhibitor | Descriptor: | 1,2-ETHANEDIOL, 6-[[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-3-yl]oxy]-5-chloranyl-2-(4-oxidanylidenepentoxy)pyridine-3-carbonitrile, MAGNESIUM ION, ... | Authors: | Rock, F.L, Zhou, Y, Sullivan, D. | Deposit date: | 2016-05-24 | Release date: | 2017-05-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | To be published To Be Published
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7VRE
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![BU of 7vre by Molmil](/molmil-images/mine/7vre) | The crystal structure of EGFR T790M/C797S with the inhibitor HCD2892 | Descriptor: | 5-chloranyl-N-[5-chloranyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine, Epidermal growth factor receptor | Authors: | Zhu, S.J. | Deposit date: | 2021-10-22 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.507 Å) | Cite: | Conformational Constrained 4-(1-Sulfonyl-3-indol)yl-2-phenylaminopyrimidine Derivatives as New Fourth-Generation Epidermal Growth Factor Receptor Inhibitors Targeting T790M/C797S Mutations. J.Med.Chem., 65, 2022
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7VRA
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![BU of 7vra by Molmil](/molmil-images/mine/7vra) | The crystal structure of EGFR T790M/C797S with the inhibitor HC5476 | Descriptor: | 25-chloro-11-(ethylsulfonyl)-44-morpholino-11H-5,12-dioxa-3-aza-1(3,6)-indola-2(4,2)-pyrimidina-4(1,3)-benzenacyclododecaphane, Epidermal growth factor receptor | Authors: | Zhu, S.J. | Deposit date: | 2021-10-22 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Conformational Constrained 4-(1-Sulfonyl-3-indol)yl-2-phenylaminopyrimidine Derivatives as New Fourth-Generation Epidermal Growth Factor Receptor Inhibitors Targeting T790M/C797S Mutations. J.Med.Chem., 65, 2022
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7VA8
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![BU of 7va8 by Molmil](/molmil-images/mine/7va8) | Crystal structure of MiCGT | Descriptor: | UDP-glycosyltransferase 13, URIDINE-5'-DIPHOSPHATE-GLUCOSE | Authors: | Zhong, L, Zhang, Z.M. | Deposit date: | 2021-08-27 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85003233 Å) | Cite: | Directed Evolution of a Plant Glycosyltransferase for Chemo- and Regioselective Glycosylation of Pharmaceutically Significant Flavonoids Acs Catalysis, 11, 2021
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7VAA
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7WN0
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![BU of 7wn0 by Molmil](/molmil-images/mine/7wn0) | Structure of PfENT1(Y190A) in complex with nanobody 19 | Descriptor: | Equilibrative nucleoside/nucleobase transporter, nanobody19 | Authors: | Wang, C, Deng, D, Ren, R.B, Yu, L.Y. | Deposit date: | 2022-01-17 | Release date: | 2023-02-01 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.64 Å) | Cite: | Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1. Nat Commun, 14, 2023
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7WN1
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![BU of 7wn1 by Molmil](/molmil-images/mine/7wn1) | Structure of PfNT1(Y190A) in complex with nanobody 48 and inosine | Descriptor: | Equilibrative nucleoside/nucleobase transporter, INOSINE, nanobody48 | Authors: | Wang, C, Deng, D, Ren, R.B, Yu, L.Y. | Deposit date: | 2022-01-17 | Release date: | 2023-02-01 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.11 Å) | Cite: | Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1. Nat Commun, 14, 2023
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7VN9
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7XAF
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![BU of 7xaf by Molmil](/molmil-images/mine/7xaf) | The crystal structure of TrkA kinase in complex with 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo- tetradecaphan-2-yne-45-carboxamide | Descriptor: | 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo-tetradecaphan-2-yne-45-carboxamide, High affinity nerve growth factor receptor | Authors: | Zhang, Z.M, Wang, Y.J. | Deposit date: | 2022-03-17 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.001182 Å) | Cite: | Discovery of the First Highly Selective and Broadly Effective Macrocycle-Based Type II TRK Inhibitors that Overcome Clinically Acquired Resistance. J.Med.Chem., 65, 2022
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7WV9
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![BU of 7wv9 by Molmil](/molmil-images/mine/7wv9) | Allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 in complex with Gi protein | Descriptor: | 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, ... | Authors: | Xu, Z, Shao, Z. | Deposit date: | 2022-02-10 | Release date: | 2022-06-15 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1. Nat.Chem.Biol., 18, 2022
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7VMZ
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7VNG
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![BU of 7vng by Molmil](/molmil-images/mine/7vng) | Crystal structure of human coronavirus 229E spike protein receptor-binding domain in complex with S11 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S11 Fab heavy chain, S11 Fab light chain, ... | Authors: | Xiang, J.C, Zhao, W.W, Yang, B. | Deposit date: | 2021-10-11 | Release date: | 2022-10-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Antigenic mapping reveals sites of vulnerability on alpha-HCoV spike protein. Commun Biol, 5, 2022
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5X5P
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![BU of 5x5p by Molmil](/molmil-images/mine/5x5p) | Human serum transferrin bound to ruthenium NTA | Descriptor: | FE (III) ION, MALONATE ION, NITRILOTRIACETIC ACID, ... | Authors: | Sun, H, Wang, M. | Deposit date: | 2017-02-17 | Release date: | 2018-02-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Binding of ruthenium and osmium at non‐iron sites of transferrin accounts for their iron-independent cellular uptake. J.Inorg.Biochem., 234, 2022
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7CWO
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![BU of 7cwo by Molmil](/molmil-images/mine/7cwo) | SARS-CoV-2 spike protein RBD and P17 fab complex | Descriptor: | Spike glycoprotein, heavy chain of P17 Fab, light chain of P17 Fab | Authors: | Wang, X, Wang, N. | Deposit date: | 2020-08-29 | Release date: | 2020-12-16 | Last modified: | 2021-01-13 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection. Cell Res., 31, 2021
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7CRQ
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![BU of 7crq by Molmil](/molmil-images/mine/7crq) | NSD3 bearing E1181K/T1232A dual mutation in complex with 187-bp NCP (2:1 binding mode) | Descriptor: | DNA (168-MER), Histone H2A, Histone H2B, ... | Authors: | Li, W, Tian, W, Yuan, G, Deng, P, Gozani, O, Patel, D, Wang, Z. | Deposit date: | 2020-08-14 | Release date: | 2020-10-21 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Molecular basis of nucleosomal H3K36 methylation by NSD methyltransferases. Nature, 590, 2021
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7CRP
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![BU of 7crp by Molmil](/molmil-images/mine/7crp) | NSD3 bearing E1181K/T1232A dual mutation in complex with 187-bp NCP (1:1 binding mode) | Descriptor: | DNA (168-MER), Histone H2A, Histone H2B, ... | Authors: | Li, W, Tian, W, Yuan, G, Deng, P, Gozani, O, Patel, D, Wang, Z. | Deposit date: | 2020-08-14 | Release date: | 2020-10-21 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular basis of nucleosomal H3K36 methylation by NSD methyltransferases. Nature, 590, 2021
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7CWL
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5XPD
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5YC6
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![BU of 5yc6 by Molmil](/molmil-images/mine/5yc6) | The crystal structure of uPA in complex with 4-Bromobenzylamirne at pH4.6 | Descriptor: | 1-(4-BROMOPHENYL)METHANAMINE, SULFATE ION, TRIETHYLENE GLYCOL, ... | Authors: | Jiang, L.G, Zhang, X, Huang, M.D. | Deposit date: | 2017-09-06 | Release date: | 2018-10-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Halogen bonding for the design of inhibitors by targeting the S1 pocket of serine proteases Rsc Adv, 8, 2018
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5YC7
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5WTD
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![BU of 5wtd by Molmil](/molmil-images/mine/5wtd) | Structure of human serum transferrin bound ruthenium at N-lobe | Descriptor: | FE (III) ION, MALONATE ION, RUTHENIUM ION, ... | Authors: | Sun, H, Wang, M, Lai, T.P, Zhang, H, Hao, Q. | Deposit date: | 2016-12-11 | Release date: | 2017-12-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Binding of ruthenium and osmium at non‐iron sites of transferrin accounts for their iron-independent cellular uptake. J.Inorg.Biochem., 234, 2022
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7CRO
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![BU of 7cro by Molmil](/molmil-images/mine/7cro) | NSD2 bearing E1099K/T1150A dual mutation in complex with 187-bp NCP | Descriptor: | DNA (168-MER), Histone H2A, Histone H2B, ... | Authors: | Li, W, Tian, W, Yuan, G, Deng, P, Gozani, O, Patel, D, Wang, Z. | Deposit date: | 2020-08-14 | Release date: | 2020-10-21 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Molecular basis of nucleosomal H3K36 methylation by NSD methyltransferases. Nature, 590, 2021
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7CWM
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7CRR
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![BU of 7crr by Molmil](/molmil-images/mine/7crr) | Native NSD3 bound to 187-bp nucleosome | Descriptor: | DNA (168-MER), DNA(168-MER), Histone H2A, ... | Authors: | Li, W, Tian, W, Yuan, G, Deng, P, Gozani, O, Patel, D, Wang, Z. | Deposit date: | 2020-08-14 | Release date: | 2020-10-21 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.48 Å) | Cite: | Molecular basis of nucleosomal H3K36 methylation by NSD methyltransferases. Nature, 590, 2021
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