6CPW
 
 | | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology | | Descriptor: | (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Hruza, A, Hruza, A. | | Deposit date: | 2018-03-14 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology.
Bioorg. Med. Chem. Lett., 28, 2018
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7MFH
 | | Crystal structure of BIO-32546 bound mouse Autotaxin | | Descriptor: | (1R,3S,5S)-8-{(1S)-1-[8-(trifluoromethyl)-7-{[(1s,4R)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chodaparambil, J.V. | | Deposit date: | 2021-04-09 | | Release date: | 2022-04-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of Potent Selective Nonzinc Binding Autotaxin Inhibitor BIO-32546.
Acs Med.Chem.Lett., 12, 2021
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5TWN
 | | CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA- DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide | | Descriptor: | (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide, NS5B RNA- DEPENDENT RNA POLYMERASE, ... | | Authors: | Sheriff, S. | | Deposit date: | 2016-11-14 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.04 Å) | | Cite: | The discovery of a pan-genotypic, primer grip inhibitor of HCV NS5B polymerase.
Medchemcomm, 8, 2017
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5TWM
 | | CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 L30S NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide, NS5B RNA-dependent RNA POLYMERASE, ... | | Authors: | Sheriff, S. | | Deposit date: | 2016-11-14 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | The discovery of a pan-genotypic, primer grip inhibitor of HCV NS5B polymerase.
Medchemcomm, 8, 2017
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7CGB
 | | Cryo-EM structure of the flagellar hook from Salmonella | | Descriptor: | Flagellar hook protein FlgE | | Authors: | Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q. | | Deposit date: | 2020-07-01 | | Release date: | 2021-04-28 | | Last modified: | 2021-05-26 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
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7CG7
 | | Cryo-EM structure of the flagellar MS ring with C34 symmetry from Salmonella | | Descriptor: | Flagellar M-ring protein | | Authors: | Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q. | | Deposit date: | 2020-06-30 | | Release date: | 2021-04-28 | | Last modified: | 2021-05-26 | | Method: | ELECTRON MICROSCOPY (3.61 Å) | | Cite: | Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
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7CG0
 | | Cryo-EM structure of the flagellar proximal rod with FliF peptides from Salmonella | | Descriptor: | Flagellar MS ring L1, Flagellar MS ring L2, Flagellar basal body rod protein FlgB, ... | | Authors: | Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q. | | Deposit date: | 2020-06-30 | | Release date: | 2021-04-28 | | Last modified: | 2021-05-26 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
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7CGO
 | | Cryo-EM structure of the flagellar motor-hook complex from Salmonella | | Descriptor: | Flagellar L-ring protein, Flagellar M-ring protein, Flagellar MS ring L1, ... | | Authors: | Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q. | | Deposit date: | 2020-07-01 | | Release date: | 2021-04-28 | | Last modified: | 2021-05-26 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
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7CG4
 | | Cryo-EM structure of the flagellar export apparatus with FliE from Salmonella | | Descriptor: | Flagellar biosynthetic protein FliP, Flagellar hook-basal body complex protein FliE | | Authors: | Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q. | | Deposit date: | 2020-06-30 | | Release date: | 2021-04-28 | | Last modified: | 2021-05-26 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
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7CBM
 | | Cryo-EM structure of the flagellar distal rod with partial hook from Salmonella | | Descriptor: | Flagellar basal-body rod protein FlgF, Flagellar basal-body rod protein FlgG, Flagellar hook protein FlgE | | Authors: | Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q. | | Deposit date: | 2020-06-12 | | Release date: | 2021-04-28 | | Last modified: | 2021-05-26 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
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7CBL
 | | Cryo-EM structure of the flagellar LP ring from Salmonella | | Descriptor: | Flagellar L-ring protein, Flagellar P-ring protein, OCTANOIC ACID (CAPRYLIC ACID) | | Authors: | Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q. | | Deposit date: | 2020-06-12 | | Release date: | 2021-04-28 | | Last modified: | 2021-05-26 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
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4Z62
 | | The plant peptide hormone free receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine receptor 1 | | Authors: | Chai, J, Wang, J, Han, Z. | | Deposit date: | 2015-04-03 | | Release date: | 2016-03-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Allosteric receptor activation by the plant peptide hormone phytosulfokine
Nature, 525, 2015
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4Z5W
 | | The plant peptide hormone receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine, ... | | Authors: | Chai, J, Wang, J, Han, Z. | | Deposit date: | 2015-04-03 | | Release date: | 2016-03-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Allosteric receptor activation by the plant peptide hormone phytosulfokine
Nature, 525, 2015
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4Z61
 | | The plant peptide hormone receptor complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PTR-ILE-PTR-THR-GLN, Phytosulfokine receptor 1, ... | | Authors: | Chai, J, Wang, J. | | Deposit date: | 2015-04-03 | | Release date: | 2016-03-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Allosteric receptor activation by the plant peptide hormone phytosulfokine
Nature, 525, 2015
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4Z64
 | | the plant peptide hormone receptor complex in arabidopsis | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine, ... | | Authors: | Chai, J, Wang, J, Han, Z. | | Deposit date: | 2015-04-03 | | Release date: | 2016-03-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.659 Å) | | Cite: | Allosteric receptor activation by the plant peptide hormone phytosulfokine
Nature, 525, 2015
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4Z63
 | | The plant peptide hormone receptor in arabidopsis | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine, Phytosulfokine receptor 1 | | Authors: | Chai, J, Wang, J, Han, Z. | | Deposit date: | 2015-04-03 | | Release date: | 2016-03-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.514 Å) | | Cite: | Allosteric receptor activation by the plant peptide hormone phytosulfokine
Nature, 525, 2015
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4YQH
 | | 2-[2-(4-Phenyl-1H-imidazol-2-yl)ethyl]quinoxaline (Sunovion Compound 14) co-crystallized with PDE10A | | Descriptor: | 2-[2-(4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Burdi, D, Herman, L, Wang, T. | | Deposit date: | 2015-03-13 | | Release date: | 2015-04-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.308 Å) | | Cite: | Evolution and synthesis of novel orally bioavailable inhibitors of PDE10A.
Bioorg.Med.Chem.Lett., 25, 2015
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4YS7
 | | Co-crystal structure of 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline (compound 39) with PDE10A | | Descriptor: | 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Burdi, D.F, Herman, L, Wang, T. | | Deposit date: | 2015-03-16 | | Release date: | 2015-04-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Evolution and synthesis of novel orally bioavailable inhibitors of PDE10A.
Bioorg.Med.Chem.Lett., 25, 2015
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2XA4
 | | Inhibitors of Jak2 Kinase domain | | Descriptor: | 5-CHLORO-N2-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHYL]-N4-(5-METHYL-1H-PYRAZOL-3-YL)PYRIMIDINE-2,4-DIAMINE, TYROSINE-PROTEIN KINASE JAK2 | | Authors: | Read, J, Green, I, Pollard, H, Howard, T, Mott, R. | | Deposit date: | 2010-03-26 | | Release date: | 2010-12-15 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Discovery of 5-Chloro-N2-[(1S)-1-(5-Fluoropyrimidin-2-Yl) Ethyl]-N4-(5-Methyl-1H-Pyrazol-3-Yl)Pyrimidine-2,4-Diamine (Azd1480) as a Novel Inhibitor of the Jak/Stat Pathway
J.Med.Chem., 54, 2011
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5GO7
 | | Linear tri-ubiquitin | | Descriptor: | D-ubiquitin, Ubiquitin | | Authors: | Gao, S, Pan, M, Zheng, Y. | | Deposit date: | 2016-07-26 | | Release date: | 2016-11-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Monomer/Oligomer Quasi-Racemic Protein Crystallography
J.Am.Chem.Soc., 138, 2016
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5GOC
 | | Lys11-linked diubiquitin | | Descriptor: | D-ubiquitin, SODIUM ION, Ubiquitin | | Authors: | Gao, S, Pan, M, Zheng, Y. | | Deposit date: | 2016-07-26 | | Release date: | 2016-11-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.733 Å) | | Cite: | Monomer/Oligomer Quasi-Racemic Protein Crystallography
J.Am.Chem.Soc., 138, 2016
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5GOI
 | | Lys48-linked di-ubiquitin | | Descriptor: | D-ubiquitin, Ubiquitin | | Authors: | Gao, S, Pan, M, Zheng, Y, Liu, L. | | Deposit date: | 2016-07-27 | | Release date: | 2016-11-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.594 Å) | | Cite: | Monomer/Oligomer Quasi-Racemic Protein Crystallography
J.Am.Chem.Soc., 138, 2016
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5GOG
 | | Lys29-linked di-ubiquitin | | Descriptor: | D-ubiquitin, Ubiquitin | | Authors: | Gao, S, Pan, M, Zheng, Y. | | Deposit date: | 2016-07-27 | | Release date: | 2016-11-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.977 Å) | | Cite: | Monomer/Oligomer Quasi-Racemic Protein Crystallography
J.Am.Chem.Soc., 138, 2016
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5GOK
 | | K11/K63-branched tri-Ubiquitin | | Descriptor: | D-ubiquitin, Ubiquitin | | Authors: | Gao, S, Pan, M, Zheng, Y, Liu, L. | | Deposit date: | 2016-07-27 | | Release date: | 2016-11-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Monomer/Oligomer Quasi-Racemic Protein Crystallography
J.Am.Chem.Soc., 138, 2016
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5GOB
 | | Lys6-linked di-ubiquitin | | Descriptor: | D-ubiquitin, Ubiquitin | | Authors: | Gao, S, Pan, M, Zheng, Y, Liu, L. | | Deposit date: | 2016-07-26 | | Release date: | 2016-11-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.153 Å) | | Cite: | Monomer/Oligomer Quasi-Racemic Protein Crystallography
J.Am.Chem.Soc., 138, 2016
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