4KFO
 
 | | Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | | Descriptor: | 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Zheng, X, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynolds, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Gunzner-Tosteb, J, Liederer, B.M, Ly, J, O'Brien, T, Oh, A, Wang, L, Wang, W, Xiao, Y, Zak, M, Zhao, G, Yuen, P, Bair, K.W. | | Deposit date: | 2013-04-27 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors.
J.Med.Chem., 56, 2013
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7FDK
 | | SARS-COV-2 Spike RBDMACSp36 binding to mACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1 | | Authors: | Wang, X, Cao, L. | | Deposit date: | 2021-07-16 | | Release date: | 2021-08-25 | | Last modified: | 2022-03-23 | | Method: | ELECTRON MICROSCOPY (3.69 Å) | | Cite: | Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
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7FDH
 | | SARS-COV-2 Spike RBDMACSp25 binding to hACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1 | | Authors: | Wang, X, Cao, L. | | Deposit date: | 2021-07-16 | | Release date: | 2021-08-25 | | Last modified: | 2022-03-23 | | Method: | ELECTRON MICROSCOPY (3.72 Å) | | Cite: | Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
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7FDI
 | | SARS-COV-2 Spike RBDMACSp36 binding to hACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1 | | Authors: | Wang, X, Cao, L. | | Deposit date: | 2021-07-16 | | Release date: | 2021-08-25 | | Last modified: | 2022-03-23 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
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7FDG
 | | SARS-COV-2 Spike RBDMACSp6 binding to hACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1 | | Authors: | Wang, X, Cao, L. | | Deposit date: | 2021-07-16 | | Release date: | 2021-08-25 | | Last modified: | 2022-03-23 | | Method: | ELECTRON MICROSCOPY (3.69 Å) | | Cite: | Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
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5XVJ
 | | Crystal structure of AL7 PAL domain | | Descriptor: | PHD finger protein ALFIN-LIKE 7, SULFATE ION | | Authors: | Peng, L, Wang, L.L, Huang, Y. | | Deposit date: | 2017-06-28 | | Release date: | 2018-07-04 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural Analysis of the Arabidopsis AL2-PAL and PRC1 Complex Provides Mechanistic Insight into Active-to-Repressive Chromatin State Switch
J. Mol. Biol., 430, 2018
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7CWM
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7CWU
 | | SARS-CoV-2 spike proteins trimer in complex with P17 and FC05 Fabs cocktail | | 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: | Wang, X, Wang, N. | | Deposit date: | 2020-08-31 | | Release date: | 2020-12-16 | | Last modified: | 2021-01-13 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure-based development of human antibody cocktails against SARS-CoV-2.
Cell Res., 31, 2021
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7CWN
 | | P17-H014 Fab cocktail in complex with SARS-CoV-2 spike 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: | Wang, N, Wang, X. | | Deposit date: | 2020-08-29 | | Release date: | 2020-12-16 | | Last modified: | 2021-01-13 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
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2AX5
 | | Solution Structure of Urm1 from Saccharomyces Cerevisiae | | Descriptor: | Hypothetical 11.0 kDa protein in FAA3-MAS3 intergenic region | | Authors: | Xu, J, Huang, H, Zhang, J, Wu, J, Shi, Y. | | Deposit date: | 2005-09-03 | | Release date: | 2006-06-27 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of Urm1 and its implications for the origin of protein modifiers.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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4DJW
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4AWQ
 | | Complex of HSP90 ATPase domain with tropane derived inhibitors | | Descriptor: | HEAT SHOCK PROTEIN HSP 90-ALPHA, N-benzyl-6-[(3-endo)-3-{[(3-methoxy-2-methylphenyl)carbonyl]amino}-8-azabicyclo[3.2.1]oct-8-yl]pyridine-3-carboxamide | | Authors: | Lougheed, J.C, Stout, T.J. | | Deposit date: | 2012-06-05 | | Release date: | 2012-08-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90.
Bioorg.Med.Chem.Lett., 22, 2012
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4AWO
 | | Complex of HSP90 ATPase domain with tropane derived inhibitors | | Descriptor: | 5-[(2R)-butan-2-ylamino]-N-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylbenzene-1,4-dicarboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Lougheed, J.C, Stout, T.J. | | Deposit date: | 2012-06-05 | | Release date: | 2012-08-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90.
Bioorg.Med.Chem.Lett., 22, 2012
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5GXU
 | | Cystal structure of Arabidopsis ATR2 | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH--cytochrome P450 reductase 2 | | Authors: | Niu, G, Liu, L. | | Deposit date: | 2016-09-20 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the Arabidopsis thaliana NADPH-cytochrome P450 reductase 2 (ATR2) provides insight into its function
FEBS J., 284, 2017
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7WD1
 | | Crystal structure of R14 bound to SARS-CoV-2 RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, R14, Spike protein S1, ... | | Authors: | Wang, Q.H, Gao, G.F, Qi, J.X, Su, C, Liu, H.H, Wu, L.L. | | Deposit date: | 2021-12-20 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Two pan-SARS-CoV-2 nanobodies and their multivalent derivatives effectively prevent Omicron infections in mice.
Cell Rep Med, 4, 2023
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7WD2
 | | Crystal structure of S43 bound to SARS-CoV-2 RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wang, Q.H, Gao, G.F, Qi, J.X, Su, C, Liu, H.H, Wu, L.L. | | Deposit date: | 2021-12-20 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Two pan-SARS-CoV-2 nanobodies and their multivalent derivatives effectively prevent Omicron infections in mice.
Cell Rep Med, 4, 2023
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2EWP
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7XCZ
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7XDK
 | | Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7054 and BA7125 fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7054 fab, ... | | Authors: | Liu, Z, Lui, S, Gao, Y. | | Deposit date: | 2022-03-27 | | Release date: | 2023-03-01 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
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7XDA
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7XDB
 | | Cryo-EM structure of SARS-CoV-2 Omicron Spike protein in complex with BA7208 fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7208 fab, ... | | Authors: | Liu, Z, Liu, S, Gao, Y.Z. | | Deposit date: | 2022-03-26 | | Release date: | 2023-03-01 | | Method: | ELECTRON MICROSCOPY (2.62 Å) | | Cite: | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
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7XDL
 | | Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7208 and BA7125 fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7125 fab, ... | | Authors: | Liu, Z, Liu, S, Yuanzhu, G. | | Deposit date: | 2022-03-27 | | Release date: | 2023-03-15 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
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4F1S
 | | Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine-sulfonamide inhibitor | | Descriptor: | N-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2012-05-07 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Synthesis and structure-activity relationships of dual PI3K/mTOR inhibitors based on a 4-amino-6-methyl-1,3,5-triazine sulfonamide scaffold.
Bioorg.Med.Chem.Lett., 22, 2012
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6X4M
 | | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate (compound 3) | | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate | | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | | Deposit date: | 2020-05-22 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
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6X4Q
 | | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 33) | | Descriptor: | (2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | | Deposit date: | 2020-05-22 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
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