6JN3
 
 | | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS05 | | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, Serine Beta-Lactamase KPC-2, ... | | Authors: | Li, G.-B, Liu, S. | | Deposit date: | 2019-03-13 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.216 Å) | | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
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6JN5
 | | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS23 | | Descriptor: | Serine Beta-Lactamase KPC-2, [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid | | Authors: | Li, G.-B, Liu, S. | | Deposit date: | 2019-03-13 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
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6JN6
 | | Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS19 | | Descriptor: | Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION, ... | | Authors: | Li, G.-B, Liu, S. | | Deposit date: | 2019-03-13 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.602 Å) | | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
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6L1W
 | | Zinc-finger Antiviral Protein (ZAP) bound to RNA | | Descriptor: | RNA (5'-R(*CP*GP*UP*CP*GP*U)-3'), ZINC ION, Zinc finger CCCH-type antiviral protein 1 | | Authors: | Luo, X, Wang, X, Gao, Y, Zhu, J, Liu, S, Gao, G, Gao, P. | | Deposit date: | 2019-09-30 | | Release date: | 2020-01-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.194 Å) | | Cite: | Molecular Mechanism of RNA Recognition by Zinc-Finger Antiviral Protein.
Cell Rep, 30, 2020
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7XCK
 | | Cryo-EM structure of SARS-CoV-2 Omicron RBD in complex with S309 fab (local refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, S309 heavy chain, S309 light chain, ... | | Authors: | Gao, G.F, Qi, J.X, Zhao, Z.N, Xie, Y.F, Liu, S. | | Deposit date: | 2022-03-24 | | Release date: | 2022-08-31 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape
Nat Commun, 13, 2022
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7XCI
 | | Cryo-EM structure of SARS-CoV-2 Omicron RBD in complex with human ACE2 ectodomain (local refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | | Authors: | Gao, G.F, Qi, J.X, Zhao, Z.N, Liu, S, Xie, Y.F. | | Deposit date: | 2022-03-24 | | Release date: | 2022-08-31 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape
Nat Commun, 13, 2022
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7Y9Z
 | | Cryo-EM structure of SARS-CoV-2 Omicron spike protein (S-6P-RRAR) in complex with human ACE2 ectodomain (one-RBD-up state) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | | Authors: | Gao, G.F, Qi, J.X, Liu, S, Zhao, Z.N. | | Deposit date: | 2022-06-26 | | Release date: | 2022-09-21 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape.
Nat Commun, 13, 2022
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7XCH
 | | Cryo-EM structure of SARS-CoV-2 Omicron spike protein (S-6P-RRAR) in complex with human ACE2 ectodomain (two-RBD-up state) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | | Authors: | Gao, G.F, Qi, J.X, Zhao, Z.N, Liu, S, Xie, Y.F. | | Deposit date: | 2022-03-24 | | Release date: | 2022-08-31 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape
Nat Commun, 13, 2022
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7XCO
 | | Cryo-EM structure of SARS-CoV-2 Omicron spike protein (S-6P-RRAR) in complex with S309 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, S309 Fab heavy chain, ... | | Authors: | Gao, G.F, Qi, J.X, Zhao, Z.N, Liu, S, Xie, Y.F. | | Deposit date: | 2022-03-24 | | Release date: | 2022-09-21 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape
Nat Commun, 13, 2022
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3BM8
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1PRQ
 | | ACANTHAMOEBA CASTELLANII PROFILIN IA | | Descriptor: | PROFILIN IA | | Authors: | Fedorov, A.A, Pollard, T.D, Way, M, Lattman, E.E, Almo, S.C. | | Deposit date: | 1997-08-18 | | Release date: | 1997-12-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal packing induces a conformational change in profilin-I from Acanthamoeba castellanii.
J.Struct.Biol., 123, 1998
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6KN9
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8IF6
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8HGR
 | | The apo-flavodoxin monomer from Synechococcus elongatus PCC 7942 | | Descriptor: | CHLORIDE ION, Flavodoxin, MAGNESIUM ION | | Authors: | Liu, S.W, Chen, Y.Y, Gong, Y, Cao, P. | | Deposit date: | 2022-11-15 | | Release date: | 2022-12-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | A dimer-monomer transition captured by the crystal structures of cyanobacterial apo flavodoxin.
Biochem.Biophys.Res.Commun., 639, 2022
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8HGQ
 | | The apo-flavodoxin dimer from Synechococcus elongatus PCC 7942 | | Descriptor: | Flavodoxin, PHOSPHATE ION | | Authors: | Liu, S.W, Chen, Y.Y, Gong, Y, Cao, P. | | Deposit date: | 2022-11-15 | | Release date: | 2022-12-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | A dimer-monomer transition captured by the crystal structures of cyanobacterial apo flavodoxin.
Biochem.Biophys.Res.Commun., 639, 2022
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6JC4
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8F4Q
 | | rat branched chain ketoacid dehydrogenase kinase in complex with inhibtors | | Descriptor: | 3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | | Authors: | Liu, S. | | Deposit date: | 2022-11-11 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.151 Å) | | Cite: | Discovery of branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors acting as stabilizers or destabilizers
To Be Published
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8IK0
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8IK3
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8ERB
 | | Crystal structure of Fub7 in complex with vinylglycine ketimine | | Descriptor: | (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, Sulfhydrylase FUB7 | | Authors: | Hai, Y. | | Deposit date: | 2022-10-11 | | Release date: | 2023-10-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Molecular and Structural Basis for C gamma-C Bond Formation by PLP-Dependent Enzyme Fub7.
Angew.Chem.Int.Ed.Engl., 63, 2024
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8EQW
 | | Crystal structure of Fub7 | | Descriptor: | Sulfhydrylase FUB7 | | Authors: | Hai, Y. | | Deposit date: | 2022-10-10 | | Release date: | 2023-10-11 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Molecular and Structural Basis for C gamma-C Bond Formation by PLP-Dependent Enzyme Fub7.
Angew.Chem.Int.Ed.Engl., 63, 2024
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8ERJ
 | | Crystal structure of Fub7 in complex with E-2-aminocrotonate | | Descriptor: | (2E)-2-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}but-2-enoic acid, (2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]but-3-enoic acid, Sulfhydrylase FUB7 | | Authors: | Hai, Y. | | Deposit date: | 2022-10-12 | | Release date: | 2023-10-25 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Molecular and Structural Basis for C gamma-C Bond Formation by PLP-Dependent Enzyme Fub7.
Angew.Chem.Int.Ed.Engl., 63, 2024
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7UZO
 | | Parathyroid hormone 1 receptor extracellular domain complexed with a peptide ligand containing one beta-amino acid | | Descriptor: | Parathyroid hormone/parathyroid hormone-related peptide receptor, Peptide from Parathyroid hormone-related protein, ZINC ION | | Authors: | Yu, Z, Bruchs, A.T, Bingman, C.A, Gellman, S.H. | | Deposit date: | 2022-05-09 | | Release date: | 2022-10-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Altered signaling at the PTH receptor via modified agonist contacts with the extracellular domain provides a path to prolonged agonism in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7UZP
 | | parathyroid hormone 1 receptor extracellular domain complexed with a peptide ligand containing three beta-amino acids | | Descriptor: | 1,2-ETHANEDIOL, PTHrP[1-36] 24,28,31 XCP, Parathyroid hormone/parathyroid hormone-related peptide receptor, ... | | Authors: | Yu, Z, Bruchs, A.T, Bingman, C.A, Gellman, S.H. | | Deposit date: | 2022-05-09 | | Release date: | 2022-10-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Altered signaling at the PTH receptor via modified agonist contacts with the extracellular domain provides a path to prolonged agonism in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
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9AZB
 | | Crystal structure of LolTv5 | | Descriptor: | Aminotransferase, class V/Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Gao, J, Hai, Y. | | Deposit date: | 2024-03-11 | | Release date: | 2024-07-17 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Enzymatic Synthesis of Unprotected alpha , beta-Diamino Acids via Direct Asymmetric Mannich Reactions.
J.Am.Chem.Soc., 146, 2024
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