4W6E
 
 | | Human Tankyrase 1 with small molecule inhibitor | | Descriptor: | 2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one, Tankyrase-1, ZINC ION | | Authors: | Kazmirski, S.L, Johannes, J, Boriack-Sjodin, P.A, Howard, T. | | Deposit date: | 2014-08-20 | | Release date: | 2015-05-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
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4LX4
 | | Crystal Structure Determination of Pseudomonas stutzeri endoglucanase Cel5A using a Twinned Data Set | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase(Endo-1,4-beta-glucanase)protein | | Authors: | Dutoit, R, Delsaute, M, Berlemont, R, Van Elder, D, Galleni, M, Bauvois, C. | | Deposit date: | 2013-07-29 | | Release date: | 2014-07-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.556 Å) | | Cite: | Crystal structure determination of Pseudomonas stutzeri A1501 endoglucanase Cel5A: the search for a molecular basis for glycosynthesis in GH5_5 enzymes.
Acta Crystallogr D Struct Biol, 75, 2019
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5FPL
 | | Crystal structure of human JARID1B in complex with CCT363901 | | Descriptor: | 1,2-ETHANEDIOL, 8-[4-(2-azanylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | | Authors: | Srikannathasan, V, Yann-Vai, L.B, Nowak, R, Johansson, C, Gileadi, C, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Huber, K, Oppermann, U. | | Deposit date: | 2015-12-02 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | 8-Substituted Pyrido[3,4-D]Pyrimidin-4(3H)-One Derivatives as Potent, Cell Permeable, Kdm4 (Jmjd2) and Kdm5 (Jarid1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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9AXH
 | | Crystal structure of KSR1/MEK1 complex heterotetramer with NST-628 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Quade, B, Huang, X. | | Deposit date: | 2024-03-06 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.
Cancer Discov, 2024
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9AXC
 | | Activated CRAF/MEK heterotetramer from focused refinement of CRAF/MEK/14-3-3 complex | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, GST26/CRAF chimera, N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide | | Authors: | Quade, B, Cohen, S.E, Huang, X. | | Deposit date: | 2024-03-06 | | Release date: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (4.16 Å) | | Cite: | The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.
Cancer Discov, 2024
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9AXM
 | | Crystal structure of ARAF/MEK1 complex with NST-628 and a RAF dimer | | Descriptor: | 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 1, GLYCEROL, ... | | Authors: | Quade, B, Huang, X. | | Deposit date: | 2024-03-06 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.
Cancer Discov, 2024
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9AXA
 | | CryoEM structure of activated CRAF/MEK/14-3-3 complex with NST-628 | | Descriptor: | 14-3-3 protein sigma, Dual specificity mitogen-activated protein kinase kinase 1, GST26/CRAF chimera, ... | | Authors: | Quade, B, Cohen, S.E, Huang, X. | | Deposit date: | 2024-03-06 | | Release date: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (4.36 Å) | | Cite: | The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.
Cancer Discov, 2024
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9AXY
 | | Crystal structure of BRAF/MEK complex with NST-628 and inactive RAF | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide, ... | | Authors: | Quade, B, Huang, X. | | Deposit date: | 2024-03-06 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.
Cancer Discov, 2024
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9AXX
 | | Crystal structure of BRAF/MEK1 complex with NST-628 and an active RAF dimer | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Quade, B, Huang, X. | | Deposit date: | 2024-03-06 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.
Cancer Discov, 2024
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8IZT
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8IZU
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7F46
 | | Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab (state1, local refinement of the RBD, NTD and 35B5 Fab) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ... | | Authors: | Wang, X.F, Zhu, Y.Q. | | Deposit date: | 2021-06-17 | | Release date: | 2022-03-23 | | Last modified: | 2022-09-21 | | Method: | ELECTRON MICROSCOPY (4.79 Å) | | Cite: | A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
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7FAH
 | | Immune complex of head region of CA09 HA and neutralizing antibody 12H5 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | | Authors: | Li, T.T, Xue, W.H, Gu, Y, Li, S.W. | | Deposit date: | 2021-07-06 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.151 Å) | | Cite: | Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses.
Nat Commun, 13, 2022
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7EPX
 | | S protein of SARS-CoV-2 in complex with GW01 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Shen, Y.P, Zhang, Y.Y, Yan, R.H, Li, Y.N, Zhou, Q. | | Deposit date: | 2021-04-28 | | Release date: | 2022-05-18 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Novel sarbecovirus bispecific neutralizing antibodies with exceptional breadth and potency against currently circulating SARS-CoV-2 variants and sarbecoviruses.
Cell Discov, 8, 2022
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7F0D
 | | Cryo-EM structure of Mycobacterium tuberculosis 50S ribosome subunit bound with clarithromycin | | Descriptor: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | | Authors: | Zhang, W, Sun, Y, Gao, N, Li, Z. | | Deposit date: | 2021-06-03 | | Release date: | 2022-06-29 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structure of Mycobacterium tuberculosis 50S ribosomal subunit bound with clarithromycin reveals dynamic and specific interactions with macrolides.
Emerg Microbes Infect, 11, 2022
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7F69
 | | Crystal structure of WIPI2b in complex with ATG16L1 | | Descriptor: | Isoform 2 of Autophagy-related protein 16-1, Isoform 2 of WD repeat domain phosphoinositide-interacting protein 2 | | Authors: | Gong, X.Y, Pan, L.F. | | Deposit date: | 2021-06-24 | | Release date: | 2022-07-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | ATG16L1 adopts a dual-binding site mode to interact with WIPI2b in autophagy.
Sci Adv, 9, 2023
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7F9I
 | | The apo-form structure of EnrR | | Descriptor: | EnrR repressor | | Authors: | Gan, J.H, Wang, Q.Y. | | Deposit date: | 2021-07-04 | | Release date: | 2022-05-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Xenogeneic nucleoid-associated EnrR thwarts H-NS silencing of bacterial virulence with unique DNA binding.
Nucleic Acids Res., 50, 2022
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7F9H
 | | complex structure of EnrR-DNA | | Descriptor: | EnrR repressor, target DNA | | Authors: | Gan, J.H, Wang, Q.Y. | | Deposit date: | 2021-07-04 | | Release date: | 2022-05-11 | | Last modified: | 2022-05-18 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Xenogeneic nucleoid-associated EnrR thwarts H-NS silencing of bacterial virulence with unique DNA binding.
Nucleic Acids Res., 50, 2022
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7FCV
 | | Cryo-EM structure of the Potassium channel AKT1 mutant from Arabidopsis thaliana | | Descriptor: | PHOSPHATIDYLETHANOLAMINE, POTASSIUM ION, Potassium channel AKT1 | | Authors: | Yang, G.H, Lu, Y.M, Jia, Y.T, Zhang, Y.M, Tang, R.F, Xu, X, Li, X.M, Lei, J.L. | | Deposit date: | 2021-07-15 | | Release date: | 2022-11-09 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis for the activity regulation of a potassium channel AKT1 from Arabidopsis.
Nat Commun, 13, 2022
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6C6P
 | | Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and NB-598 | | Descriptor: | (2E)-N-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Padyana, A.K, Jin, L. | | Deposit date: | 2018-01-19 | | Release date: | 2019-01-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
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6C6N
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6C6R
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7FI4
 | | Structure of AcrIF13 | | Descriptor: | AcrIF13 | | Authors: | Feng, Y, Gao, T. | | Deposit date: | 2021-07-30 | | Release date: | 2022-07-06 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | Mechanistic insights into the inhibition of the CRISPR-Cas surveillance complex by anti-CRISPR protein AcrIF13.
J.Biol.Chem., 298, 2022
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7EPZ
 | | Overall structure of Erastin-bound xCT-4F2hc complex | | Descriptor: | 1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHATE, 2-[(1S)-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yan, R.H, Li, Y.N, Zhang, Y.Y, Chi, X.M, Zhou, Q. | | Deposit date: | 2021-04-28 | | Release date: | 2022-04-06 | | Last modified: | 2022-07-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The structure of erastin-bound xCT-4F2hc complex reveals molecular mechanisms underlying erastin-induced ferroptosis.
Cell Res., 32, 2022
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6ILP
 | | Cryo-EM structure of full Echovirus 6 particle at PH 7.4 | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | Authors: | Gao, G.F, Liu, S, Zhao, X, Peng, R. | | Deposit date: | 2018-10-19 | | Release date: | 2019-05-15 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B.
Cell, 177, 2019
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