8TAF
 
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8TXY
 | | X-ray crystal structure of JRD-SIK1/2i-3 bound to a MARK2-SIK2 chimera | | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide, SULFATE ION, ... | | Authors: | Raymond, D.D, Lemke, C.T, Shaffer, P.L, Collins, B, Steele, R, Seierstad, M. | | Deposit date: | 2023-08-24 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of highly selective SIK1/2 inhibitors that modulate innate immune activation and suppress intestinal inflammation.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8U0Q
 | | Co-crystal structure of optimized analog TDI-13537 provided new insights into the potency determinants of the sulfonamide inhibitor series | | Descriptor: | Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Dementiev, A.A, Michino, M, Vendome, J, Ginn, J, Bryk, R, Olland, A. | | Deposit date: | 2023-08-29 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors.
Acs Bio Med Chem Au, 3, 2023
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8B20
 | | NDM-1 metallo-beta-lactamase in complex with triazole-based inhibitor CP57 | | Descriptor: | 1,2-ETHANEDIOL, 2-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Vascon, F, Lazzarato, L, Bersani, M, Gianquinto, E, Docquier, J.D, Spyrakis, F, Tondi, D, Cendron, L. | | Deposit date: | 2022-09-12 | | Release date: | 2023-12-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structure-Based Optimization of 1,2,4-Triazole-3-Thione Derivatives: Improving Inhibition of NDM-/VIM-Type Metallo-beta-Lactamases and Synergistic Activity on Resistant Bacteria.
Pharmaceuticals, 16, 2023
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8B1Z
 | | NDM-1 metallo-beta-lactamase in complex with triazole-based inhibitor CP56 | | Descriptor: | 1,2-ETHANEDIOL, 3-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Vascon, F, Lazzarato, L, Bersani, M, Gianquinto, E, Docquier, J.D, Spyrakis, F, Tondi, D, Cendron, L. | | Deposit date: | 2022-09-12 | | Release date: | 2023-12-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Based Optimization of 1,2,4-Triazole-3-Thione Derivatives: Improving Inhibition of NDM-/VIM-Type Metallo-beta-Lactamases and Synergistic Activity on Resistant Bacteria.
Pharmaceuticals, 16, 2023
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8B1W
 | | NDM-1 metallo-beta-lactamase in complex with triazole-based inhibitor CP35 | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[(~{E})-(3-bromophenyl)methylideneamino]-5-(trifluoromethyl)-1,2,4-triazole-3-thiol, ... | | Authors: | Vascon, F, Lazzarato, L, Bersani, M, Gianquinto, E, Docquier, J.D, Spyrakis, F, Tondi, D, Cendron, L. | | Deposit date: | 2022-09-12 | | Release date: | 2023-12-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-Based Optimization of 1,2,4-Triazole-3-Thione Derivatives: Improving Inhibition of NDM-/VIM-Type Metallo-beta-Lactamases and Synergistic Activity on Resistant Bacteria.
Pharmaceuticals, 16, 2023
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8UGC
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8BZL
 | | Human 20S Proteasome in complex with peptide activator peptide BLM42 | | Descriptor: | ARG-SER-TYR-TYR-SER, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Henneberg, F, Chari, A, Jankowska, E, Witkowska, J. | | Deposit date: | 2022-12-15 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Peptidic, Blm10-based activators of human 20S proteasome in vitro and in cellulo enhance degradation of proteins connected with neurodegeneration.
To Be Published
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8IJS
 | | anti-VEGF nanobody mutant | | Descriptor: | ZINC ION, anti-VEGF nanobody | | Authors: | Qian, F, Zhu, S.Q. | | Deposit date: | 2023-02-28 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | Polymorphic nanobody crystals as long-acting intravitreal therapy for wet age-related macular degeneration.
Bioeng Transl Med, 8, 2023
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8IIU
 | | anti-VEGF nanobody | | Descriptor: | SULFATE ION, anti-VEGF nanobody | | Authors: | Qian, F, Zhu, S.Q. | | Deposit date: | 2023-02-24 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Polymorphic nanobody crystals as long-acting intravitreal therapy for wet age-related macular degeneration.
Bioeng Transl Med, 8, 2023
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8IJZ
 | | anti-VEGF mutant | | Descriptor: | anti-VEGF nanobody | | Authors: | Qian, F, Zhu, S.Q. | | Deposit date: | 2023-02-28 | | Release date: | 2023-12-27 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.1 Å) | | Cite: | Polymorphic nanobody crystals as long-acting intravitreal therapy for wet age-related macular degeneration.
Bioeng Transl Med, 8, 2023
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8U1W
 | | Structure of Norovirus (Hu/GII.4/Sydney/NSW0514/2012/AU) protease bound to inhibitor NV-004 | | Descriptor: | ACETATE ION, GLYCEROL, Peptidase C37, ... | | Authors: | Eruera, A.R, Campbell, A.C, Krause, K.L. | | Deposit date: | 2023-09-03 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Crystal Structure of Inhibitor-Bound GII.4 Sydney 2012 Norovirus 3C-Like Protease.
Viruses, 15, 2023
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8BU0
 | | Crystal structure of an 8 repeat consensus TPR superhelix with calcium | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Liutkus, M, Rojas, A.L, Cortajarena, A.L. | | Deposit date: | 2022-11-30 | | Release date: | 2023-12-13 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Diverse crystalline protein scaffolds through metal-dependent polymorphism.
Protein Sci., 33, 2024
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8TDN
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8TDO
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8P8G
 | | Nitrogenase MoFe protein from A. vinelandii beta double mutant D353G/D357G | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ... | | Authors: | Maslac, N, Wagner, T. | | Deposit date: | 2023-06-01 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The Mononuclear Metal-Binding Site of Mo-Nitrogenase Is Not Required for Activity.
Jacs Au, 3, 2023
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8CI4
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8HD8
 | | Crystal structure of TMPRSS2 in complex with 212-148 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | | Authors: | Wang, H, Liu, X, Sun, L, Yang, H. | | Deposit date: | 2022-11-03 | | Release date: | 2023-12-13 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
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8FCI
 | | tRNA (N1G37) Methyltransferase (TrmD) of Mycobacterium avium complexed with S-Adenosyl homocysteine | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Lavallee, T, Mehta, K, Young, A, Cortes, J, Isaacson, B, Brylewski, J, Schlegel, F, Doti, L, Battaile, K, Stojanoff, V, Perez, A, Bolen, R. | | Deposit date: | 2022-12-01 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | tRNA (N1G37) Methyltransferase (TrmD) of Mycobacterium avium complexed with S-Adenosyl homocysteine
To Be Published
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8FCH
 | | Apo Structure of (N1G37) Methyltransferase from Mycobacterium avium | | Descriptor: | tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Isaacson, B, Brylewski, J, Schlegel, F, Cortes, J, Lavallee, T, Mehta, K, Young, A, Doti, L, Battaile, K.P, Stojanoff, V, Perez, A, Bolen, R. | | Deposit date: | 2022-12-01 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.956 Å) | | Cite: | Apo structure of (N1G37) Methyltransferase from Mycobacterium avium.
To Be Published
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7XYD
 | | Crystal structure of TMPRSS2 in complex with Nafamostat | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | | Authors: | Wang, H, Liu, X, Duan, Y, Liu, X, Sun, L, Yang, H. | | Deposit date: | 2022-06-01 | | Release date: | 2023-12-06 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
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7Y0F
 | | Crystal structure of TMPRSS2 in complex with UK-371804 | | Descriptor: | 2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H. | | Deposit date: | 2022-06-04 | | Release date: | 2023-12-06 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
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7Y0E
 | | Crystal structure of TMPRSS2 in complex with Camostat | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | | Authors: | Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H. | | Deposit date: | 2022-06-04 | | Release date: | 2023-12-06 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
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8CP6
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8R1F
 | | Monomeric E6AP-E6-p53 ternary complex | | Descriptor: | Cellular tumor antigen p53, Ubiquitin-like protein SMT3,Protein E6, Ubiquitin-protein ligase E3A, ... | | Authors: | Sandate, C.R, Chakraborty, D, Kater, L, Kempf, G, Thoma, N.H. | | Deposit date: | 2023-11-01 | | Release date: | 2023-12-06 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.67 Å) | | Cite: | Structural insights into viral hijacking of p53 by E6 and E6AP
Biorxiv, 2023
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