6MEV
 
 | | Structure of JMJD6 bound to Mono-Methyl Arginine. | | Descriptor: | (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, 2-OXOGLUTARIC ACID, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, ... | | Authors: | Lee, S, Zhang, G. | | Deposit date: | 2018-09-07 | | Release date: | 2019-09-18 | | Last modified: | 2020-04-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | JMJD6 cleaves MePCE to release positive transcription elongation factor b (P-TEFb) in higher eukaryotes.
Elife, 9, 2020
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6M6I
 | | Structure of HSV2 B-capsid portal vertex | | Descriptor: | Coiled coils chain 1, Coiled coils chain 2, Major capsid protein, ... | | Authors: | Wang, X.X, Wang, N. | | Deposit date: | 2020-03-14 | | Release date: | 2021-03-10 | | Method: | ELECTRON MICROSCOPY (4.05 Å) | | Cite: | Structures of the portal vertex reveal essential protein-protein interactions for Herpesvirus assembly and maturation.
Protein Cell, 11, 2020
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6M6H
 | | Structure of HSV2 C-capsid portal vertex | | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ... | | Authors: | Wang, X.X, Wang, N. | | Deposit date: | 2020-03-14 | | Release date: | 2021-03-24 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Structures of the portal vertex reveal essential protein-protein interactions for Herpesvirus assembly and maturation.
Protein Cell, 11, 2020
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6M6G
 | | Structure of HSV2 viron capsid portal vertex | | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Coiled coils, ... | | Authors: | Wang, X.X, Wang, N. | | Deposit date: | 2020-03-14 | | Release date: | 2021-03-24 | | Method: | ELECTRON MICROSCOPY (5.39 Å) | | Cite: | Structures of the portal vertex reveal essential protein-protein interactions for Herpesvirus assembly and maturation.
Protein Cell, 11, 2020
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8IF6
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6HZ2
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6LP6
 | | Crystal structure of human DHODH in complex with inhibitor 1214 | | Descriptor: | 3-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Chen, Q, Yu, Y. | | Deposit date: | 2020-01-09 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.795 Å) | | Cite: | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production.
J.Med.Chem., 63, 2020
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6VGS
 | | Alpha-ketoisovalerate decarboxylase (KivD) from Lactococcus lactis, thermostable mutant | | Descriptor: | Alpha-keto acid decarboxylase, MAGNESIUM ION, THIAMINE DIPHOSPHATE | | Authors: | Chan, S, Korman, T.P, Sawaya, M.R, Bowie, J.U. | | Deposit date: | 2020-01-08 | | Release date: | 2020-08-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Isobutanol production freed from biological limits using synthetic biochemistry.
Nat Commun, 11, 2020
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7N3U
 | | Crystal structure of human WEE1 kinase domain in complex with ZN-c3 | | Descriptor: | 1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, Wee1-like protein kinase | | Authors: | Lee, C.C. | | Deposit date: | 2021-06-02 | | Release date: | 2021-09-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of ZN-c3, a Highly Potent and Selective Wee1 Inhibitor Undergoing Evaluation in Clinical Trials for the Treatment of Cancer.
J.Med.Chem., 64, 2021
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7T79
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7T78
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7S6I
 | | SARS-CoV-2-6P-Mut2 S protein | | 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: | Ozorowski, G, Torres, J.L, Ward, A.B. | | Deposit date: | 2021-09-14 | | Release date: | 2022-05-11 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7S6J
 | | J08 fragment antigen binding in complex with SARS-CoV-2-6P-Mut2 S protein (conformation 1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, J08 fragment antigen binding heavy chain variable domain, ... | | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | | Deposit date: | 2021-09-14 | | Release date: | 2022-05-11 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7S6L
 | | J08 fragment antigen binding in complex with SARS-CoV-2-6P-Mut7 S protein (conformation 3) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, J08 fragment antigen binding heavy chain variable domain, ... | | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | | Deposit date: | 2021-09-14 | | Release date: | 2022-05-11 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7S6K
 | | J08 fragment antigen binding in complex with SARS-CoV-2-6P-Mut2 S protein (conformation 2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, J08 fragment antigen binding heavy chain variable domain, ... | | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | | Deposit date: | 2021-09-14 | | Release date: | 2022-05-11 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6AKY
 | | The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 34 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-3-yl)propyl]cyclohexane-1-carboxamide, C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, ... | | Authors: | Zhu, Y, Zhao, Q, Wu, B. | | Deposit date: | 2018-09-04 | | Release date: | 2018-10-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists.
J. Med. Chem., 61, 2018
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8G3C
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8G3E
 | | Crystal structure of human WDR5 in complex with (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide (compound 2, WDR5-MYC inhibitor) | | Descriptor: | (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide, WD repeat-containing protein 5 | | Authors: | Zhao, M. | | Deposit date: | 2023-02-07 | | Release date: | 2023-06-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction.
J.Med.Chem., 66, 2023
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6AKX
 | | The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 21 | | Descriptor: | C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-2-yl)propyl]cyclopentanecarboxamide, NITRATE ION, ... | | Authors: | Zhu, Y, Zhao, Q, Wu, B. | | Deposit date: | 2018-09-04 | | Release date: | 2018-10-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists.
J. Med. Chem., 61, 2018
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5YJZ
 | | The native crystal structure of Rv3197 from Mycobacterium tuberculosis | | Descriptor: | GLYCEROL, Probable conserved ATP-binding protein ABC transporter, SULFATE ION | | Authors: | Zhang, Q.Q, Rao, Z.H. | | Deposit date: | 2017-10-11 | | Release date: | 2018-02-07 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Discovery of the first macrolide antibiotic binding protein in Mycobacterium tuberculosis: a new antibiotic resistance drug target.
Protein Cell, 9, 2018
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8SDH
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5YK1
 | | The complex structure of Rv3197-AMPPNP from Mycobacterium tuberculosis | | Descriptor: | GLYCEROL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable conserved ATP-binding protein ABC transporter, ... | | Authors: | Rao, Z.H, Zhang, Q.Q. | | Deposit date: | 2017-10-11 | | Release date: | 2018-02-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.103 Å) | | Cite: | Discovery of the first macrolide antibiotic binding protein in Mycobacterium tuberculosis: a new antibiotic resistance drug target.
Protein Cell, 9, 2018
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4N6F
 | | Crystal structure of Amycolatopsis orientalis BexX complexed with G6P | | Descriptor: | CALCIUM ION, FRUCTOSE -6-PHOSPHATE, Putative thiosugar synthase | | Authors: | Zhang, X, Zhang, Y, Kinsland, C, Sasaki, E, Sun, H.G, Lu, M.J, Liu, T, Ou, A, Li, J, Chen, Y, Liu, H, Ealick, S.E. | | Deposit date: | 2013-10-11 | | Release date: | 2014-05-14 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Co-opting sulphur-carrier proteins from primary metabolic pathways for 2-thiosugar biosynthesis.
Nature, 509, 2014
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5YK2
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5YK0
 | | The complex structure of Rv3197-ADP from Mycobacterium tuberculosis | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Probable conserved ATP-binding protein ABC transporter, ... | | Authors: | Rao, Z.H, Zhang, Q.Q. | | Deposit date: | 2017-10-11 | | Release date: | 2018-02-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Discovery of the first macrolide antibiotic binding protein in Mycobacterium tuberculosis: a new antibiotic resistance drug target.
Protein Cell, 9, 2018
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