7U9V
 
 | | Integrin alpha IIB beta3 complex with BMS4-1 | | Descriptor: | (4-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 10E5 Fab heavy chain, 10E5 light chain, ... | | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-11 | | Release date: | 2022-08-17 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.25492157575 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UBR
 | | Integrin alpha IIB beta3 complex with GR144053 | | Descriptor: | 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-15 | | Release date: | 2022-08-17 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.04992751372 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UCY
 | | Integrin alpha IIB beta3 complex with gantofiban | | Descriptor: | (4-{[(5R)-3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}piperazin-1-yl)acetic acid, 10E5 Fab heavy chain, 10E5 Fab light chain, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-17 | | Release date: | 2022-08-17 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.34996314573 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UDG
 | | Integrin alpha IIB beta3 complex with lotrafiban | | Descriptor: | 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-19 | | Release date: | 2022-08-17 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.80006901797 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UDH
 | | Integrin alpha IIB beta3 complex with BMS4-3 | | Descriptor: | (4-{[(5S)-3-(piperidin-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 10E5 Fab heavy chain, 10E5 Fab light chain, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-19 | | Release date: | 2022-08-17 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.99998841007 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UE0
 | | Integrin alpha IIB beta3 complex with fradafiban | | Descriptor: | 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-20 | | Release date: | 2022-08-17 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.74196193977 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UFH
 | | Integrin alpha IIB beta3 complex with fradafiban (Mn/Ca) | | Descriptor: | 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-22 | | Release date: | 2022-08-17 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.99768170407 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UGW
 | | M. tuberculosis DNA gyrase cleavage core bound to DNA and evybactin | | Descriptor: | DNA (46-MER), DNA gyrase subunit A, DNA gyrase subunit B, ... | | Authors: | Hauk, G, Imai, Y, Lewis, K, Berger, J.M. | | Deposit date: | 2022-03-25 | | Release date: | 2022-08-17 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Evybactin is a DNA gyrase inhibitor that selectively kills Mycobacterium tuberculosis.
Nat.Chem.Biol., 18, 2022
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7UH8
 | | Integrin alpha IIB beta3 complex with roxifiban (Mn/Ca) | | Descriptor: | 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-25 | | Release date: | 2022-08-17 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.75002413567 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UJE
 | | Integrin alpha IIB beta3 complex with UR2922 in Mn2+ | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-30 | | Release date: | 2022-08-17 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.4999681528 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UJK
 | | Integrin alpha IIB beta3 complex with lamifiban | | Descriptor: | 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-30 | | Release date: | 2022-08-17 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.43265583434 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UK9
 | | Integrin alpha IIB beta3 complex with lamifiban (Mn) | | Descriptor: | 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-31 | | Release date: | 2022-08-17 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.60001966299 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UKO
 | | Integrin alpha IIB beta3 complex with sibrafiban (Mn) | | Descriptor: | 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-04-01 | | Release date: | 2022-08-17 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.604 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UKP
 | | Integrin alpha IIB beta3 complex with a gantofiban analog | | Descriptor: | 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-04-01 | | Release date: | 2022-08-17 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.80112979054 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UKT
 | | Integrin alpha IIB beta3 complex with BMS4.2 | | Descriptor: | (1-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperidin-4-yl)acetic acid, 10E5 Fab heavy chain, 10E5 Fab light chain, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-04-01 | | Release date: | 2022-08-17 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.36994437552 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7XAX
 | | Crystal structure of SARS coronavirus main protease in complex with Baicalei | | Descriptor: | 3C-like proteinase nsp5, 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one | | Authors: | Zhou, X.L, Li, J, Zhang, J. | | Deposit date: | 2022-03-19 | | Release date: | 2023-03-22 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of SARS-CoV 3C-like protease with baicalein.
Biochem.Biophys.Res.Commun., 611, 2022
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7XB4
 | | Crystal structure of SARS-Cov-2 main protease D48N mutant in complex with PF07321332 | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, Replicase polyprotein 1a | | Authors: | Hu, X.H, Li, J, Zhang, J. | | Deposit date: | 2022-03-20 | | Release date: | 2023-03-22 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structural Basis for the Inhibition of SARS-CoV-2 M pro D48N Mutant by Shikonin and PF-07321332.
Viruses, 16, 2023
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8BGF
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8CMW
 | | A225L variant of the CODH/ACS complex of C. hydrogenoformans | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CO-methylating acetyl-CoA synthase, ... | | Authors: | Ruickoldt, J, Jeoung, J, Lennartz, F, Dobbek, H. | | Deposit date: | 2023-02-21 | | Release date: | 2024-03-06 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Coupling CO 2 Reduction and Acetyl-CoA Formation: The Role of a CO Capturing Tunnel in Enzymatic Catalysis.
Angew.Chem.Int.Ed.Engl., 63, 2024
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8EB5
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8G0I
 | | High Affinity nanobodies against GFP | | Descriptor: | CHLORIDE ION, Green fluorescent protein, LaG24 Nanobody, ... | | Authors: | Ketaren, N.E, Rout, M.P, Almo, S. | | Deposit date: | 2023-01-31 | | Release date: | 2024-03-20 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Unique Binding and Stabilization Mechanisms Employed By and Engineered Into Nanobodies
Biorxiv, 2023
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8G2K
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8GKJ
 | | Crystal Structure of the Murine MUC16 Specific Antibody AR9.6 | | Descriptor: | MUC16 antibody AR9.6 heavy chain, MUC16 antibody AR9.6 light chain | | Authors: | Brooks, C.L, Aguilar, E.N. | | Deposit date: | 2023-03-19 | | Release date: | 2024-03-20 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis for Multivalent MUC16 Recognition and Robust Anti-Pancreatic Cancer Activity of Humanized Antibody AR9.6.
Mol.Cancer Ther., 23, 2024
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8GKK
 | | Crystal Structure of the Humanized MUC16 Specific Antibody huAR9.6 | | Descriptor: | MUC16 antibody AR9.6 heavy chain, MUC16 antibody AR9.6 light chain, SULFATE ION | | Authors: | Brooks, C.L, Murray, B. | | Deposit date: | 2023-03-19 | | Release date: | 2024-03-20 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Basis for Multivalent MUC16 Recognition and Robust Anti-Pancreatic Cancer Activity of Humanized Antibody AR9.6.
Mol.Cancer Ther., 23, 2024
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8GKL
 | | Crystal Structure of the Humanized MUC16 Specific Antibody huAR9.6 | | Descriptor: | MUC16 antibody AR9.6 Fab heavy chain, MUC16 antibody AR9.6 Fab light chain, Mucin-16 | | Authors: | Brooks, C.L, Aguilar, E.N. | | Deposit date: | 2023-03-19 | | Release date: | 2024-03-20 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis for Multivalent MUC16 Recognition and Robust Anti-Pancreatic Cancer Activity of Humanized Antibody AR9.6.
Mol.Cancer Ther., 23, 2024
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