8GPU
 
 | | YFV_E_YD6Fab_prefusion | | Descriptor: | Envelope protein, YD6Fab_H, YD6Fab_L | | Authors: | Li, Y, Wu, L, Qi, J, Yan, J, Gao, G.F. | | Deposit date: | 2022-08-27 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | A neutralizing-protective supersite of human monoclonal antibodies for yellow fever virus.
Innovation (N Y), 3, 2022
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8GPT
 | | YFV_E_YD6scFv_postfusion | | Descriptor: | Envelope protein, YD6_VH, YD6_VL | | Authors: | Li, Y, Wu, L, Qi, J, Yan, J, Gao, G.F. | | Deposit date: | 2022-08-27 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.07 Å) | | Cite: | A neutralizing-protective supersite of human monoclonal antibodies for yellow fever virus.
Innovation (N Y), 3, 2022
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7UDH
 | | Integrin alaphIIBbeta3 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: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.99998844 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UK9
 | | Integrin alaphIIBbeta3 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: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.60001969 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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8DNC
 | | CryoEM structure of the A. aeolicus WzmWzt transporter bound to the native O antigen and ADP | | Descriptor: | 6-deoxy-3-O-methyl-alpha-D-mannopyranose-(1-3)-beta-D-rhamnopyranose-(1-2)-alpha-D-rhamnopyranose, ABC transporter, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Spellmon, N, Muszynski, A, Vlach, J, Zimmer, J. | | Deposit date: | 2022-07-11 | | Release date: | 2022-09-21 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Molecular basis for polysaccharide recognition and modulated ATP hydrolysis by the O antigen ABC transporter.
Nat Commun, 13, 2022
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7UFH
 | | Integrin alaphIIBbeta3 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: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.99768162 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UKT
 | | Integrin alaphIIBbeta3 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: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.36994433 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UCY
 | | Integrin alaphIIBbeta3 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: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.34996319 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UKO
 | | Integrin alaphIIBbeta3 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: | 2023-10-25 | | 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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8G62
 | | Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004 | | Descriptor: | 3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide, ACETATE ION, CHLORIDE ION, ... | | Authors: | Osipiuk, J, Tesar, C, Endres, M, Jedrzejczak, R, Luci, D, Kales, S, Simeonov, A, Rai, G, Drayman, N, Tay, S, Oakes, S, Rosner, M, Chen, B, Dulin, N, Solway, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2023-02-14 | | Release date: | 2023-02-22 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004
To Be Published
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7UJK
 | | Integrin alaphIIBbeta3 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: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.43265581 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UDG
 | | Integrin alaphIIBbeta3 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: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.800069 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UE0
 | | Integrin alaphIIBbeta3 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: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.741962 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UJE
 | | Integrin alaphIIBbeta3 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: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.499968 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UKP
 | | Integrin alaphIIBbeta3 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: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.80112982 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UBR
 | | Integrin alaphIIBbeta3 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: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.04992747 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7UH8
 | | Integrin alaphIIBbeta3 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: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.750024 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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6XT8
 | | Crystal structure of haloalkane dehalogenase variant DhaA115 domain-swapped dimer type-2 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Markova, K, Damborsky, J, Marek, M. | | Deposit date: | 2020-01-15 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Computational Enzyme Stabilization Can Affect Folding Energy Landscapes and Lead to Catalytically Enhanced Domain-Swapped Dimers
Acs Catalysis, 11, 2021
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6XTC
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5DKV
 | | Crystal Structure of an ABC transporter Solute Binding Protein from Agrobacterium vitis(Avis_5339, TARGET EFI-511225) bound with alpha-D-Tagatopyranose | | Descriptor: | ABC transporter substrate binding protein (Ribose), alpha-D-tagatopyranose | | Authors: | Yadava, U, Al Obaidi, N.F, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2015-09-04 | | Release date: | 2015-09-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Crystal Structure of an ABC transporter Solute Binding Protein from Agrobacterium vitis(Avis_5339, TARGET EFI-511225) bound with alpha-D-Tagatopyranose
To be published
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7RBX
 | | Crystal structure of isocitrate lyase and phosphorylmutase:isocitrate lyase from Brucella melitensis biovar Abortus 2308 bound to itaconic acid | | Descriptor: | 1,2-ETHANEDIOL, 2-methylidenebutanedioic acid, Isocitrase, ... | | Authors: | Seattle Structural Genomics Center for Infectious Disease, Edwards, T.E, Abendroth, J, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2021-07-06 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Aconitate decarboxylase 1 participates in the control of pulmonary Brucella infection in mice.
Plos Pathog., 17, 2021
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8DT0
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8KD5
 | | Rpd3S in complex with nucleosome with H3K36MLA modification and 187bp DNA, class2 | | Descriptor: | 187bp DNA, Chromatin modification-related protein EAF3, Histone H2A, ... | | Authors: | Dong, S, Li, H, Wang, M, Rasheed, N, Zou, B, Gao, X, Guan, J, Li, W, Zhang, J, Wang, C, Zhou, N, Shi, X, Li, M, Zhou, M, Huang, J, Li, H, Zhang, Y, Wong, K.H, Chang, X, Chao, W.C.H, He, J. | | Deposit date: | 2023-08-09 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis of nucleosome deacetylation and DNA linker tightening by Rpd3S histone deacetylase complex.
Cell Res., 33, 2023
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8KD6
 | | Rpd3S in complex with nucleosome with H3K36MLA modification and 187bp DNA, class3 | | Descriptor: | 187bp DNA, Chromatin modification-related protein EAF3, Histone H2A, ... | | Authors: | Dong, S, Li, H, Wang, M, Rasheed, N, Zou, B, Gao, X, Guan, J, Li, W, Zhang, J, Wang, C, Zhou, N, Shi, X, Li, M, Zhou, M, Huang, J, Li, H, Zhang, Y, Wong, K.H, Zhang, X, Chao, W.C.H, He, J. | | Deposit date: | 2023-08-09 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | Structural basis of nucleosome deacetylation and DNA linker tightening by Rpd3S histone deacetylase complex.
Cell Res., 33, 2023
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8KD3
 | | Rpd3S in complex with nucleosome with H3K36MLA modification, H3K9Q mutation and 187bp DNA | | Descriptor: | 187bp DNA, Chromatin modification-related protein EAF3, Histone H2A, ... | | Authors: | Dong, S, Li, H, Wang, M, Rasheed, N, Zou, B, Gao, X, Guan, J, Li, W, Zhang, J, Wang, C, Zhou, N, Shi, X, Li, M, Zhou, M, Huang, J, Li, H, Zhang, Y, Wong, K.H, Zhang, X, Chao, W.C.H, He, J. | | Deposit date: | 2023-08-09 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis of nucleosome deacetylation and DNA linker tightening by Rpd3S histone deacetylase complex.
Cell Res., 33, 2023
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