8CYA
 
 | | SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 2-67 | | 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: | Huang, W, Taylor, D. | | Deposit date: | 2022-05-23 | | Release date: | 2022-07-06 | | Last modified: | 2022-07-13 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
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7UP2
 | | NDM1-inhibitor co-structure | | Descriptor: | (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | | Authors: | Scapin, G, Fischmann, T.O. | | Deposit date: | 2022-04-14 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
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7UP1
 | | NDM1-inhibitor co-structure | | Descriptor: | (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, CADMIUM ION, Metallo beta-lactamase, ... | | Authors: | Scapin, G, Fischmann, T.O. | | Deposit date: | 2022-04-14 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
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7UP3
 | | NDM1-inhibitor co-structure | | Descriptor: | (3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CADMIUM ION, ... | | Authors: | Scapin, G, Fischmann, T.O. | | Deposit date: | 2022-04-14 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
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7UOX
 | | NDM1-inhibitor co-structure | | Descriptor: | (2M)-4'-(hydroxymethyl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-ol, ACETATE ION, CADMIUM ION, ... | | Authors: | Scapin, G, Fischmann, T.O. | | Deposit date: | 2022-04-14 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
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7UOY
 | | NDM1-inhibitor co-structure | | Descriptor: | (6P)-4-amino-6-(2H-tetrazol-5-yl)benzene-1,3-disulfonamide, CADMIUM ION, Metallo beta-lactamase, ... | | Authors: | Scapin, G, Fischmann, T.O. | | Deposit date: | 2022-04-14 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
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7UYD
 | | Inhibitor bound VIM1 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | | Authors: | Fischmann, T.O, Scapin, G. | | Deposit date: | 2022-05-06 | | Release date: | 2023-05-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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7UYA
 | | Inhibitor bound VIM1 | | Descriptor: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | | Authors: | Fischmann, T.O, Scapin, G. | | Deposit date: | 2022-05-06 | | Release date: | 2023-05-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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7UYB
 | | Inhibitor bound VIM1 | | Descriptor: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | | Authors: | Fischmann, T.O, Scapin, G. | | Deposit date: | 2022-05-06 | | Release date: | 2023-05-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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7UYC
 | | Inhibitor bound VIM1 | | Descriptor: | (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, MAGNESIUM ION, ... | | Authors: | Fischmann, T.O, Scapin, G. | | Deposit date: | 2022-05-06 | | Release date: | 2023-05-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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7C53
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1D0Q
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1CK0
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1GHT
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1HX7
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1DUI
 | | Subtilisin BPN' from Bacillus amyloliquefaciens, crystal growth mutant | | Descriptor: | DIISOPROPYL PHOSPHONATE, PROTEIN (SUBTILISIN BPN'), SODIUM ION | | Authors: | Pan, Q, Gallagher, D.T. | | Deposit date: | 2000-01-17 | | Release date: | 2000-01-28 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Probing Protein Interaction Chemistry Through Crystal Growth: Structure, Mutation, and Mechanism in Subtilisin s88
J.Cryst.Growth, 212, 2000
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1FX9
 | | CARBOXYLIC ESTER HYDROLASE COMPLEX (DIMERIC PLA2 + MJ33 INHIBITOR + SULPHATE IONS) | | Descriptor: | 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE, CALCIUM ION, PHOSPHOLIPASE A2, ... | | Authors: | Pan, Y.H, Epstein, T.M, Jain, M.K, Bahnson, B.J. | | Deposit date: | 2000-09-25 | | Release date: | 2001-09-25 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Five coplanar anion binding sites on one face of phospholipase A2: relationship to interface binding.
Biochemistry, 40, 2001
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1FXF
 | | CARBOXYLIC ESTER HYDROLASE COMPLEX (DIMERIC PLA2 + MJ33 INHIBITOR + PHOSPHATE IONS) | | Descriptor: | 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE, CALCIUM ION, PHOSPHATE ION, ... | | Authors: | Pan, Y.H, Epstein, T.M, Jain, M.K, Bahnson, B.J. | | Deposit date: | 2000-09-25 | | Release date: | 2001-09-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Five coplanar anion binding sites on one face of phospholipase A2: relationship to interface binding.
Biochemistry, 40, 2001
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2CK0
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3ES5
 | | Crystal Structure of Partitivirus (PsV-F) | | Descriptor: | Putative capsid protein | | Authors: | Pan, J, Dong, L, Lin, L, Ochoa, W.F, Sinkovits, R.S, Havens, W.M, Nibert, M.L, Baker, T.S, Ghabrial, S.A, Tao, Y.J. | | Deposit date: | 2008-10-03 | | Release date: | 2009-03-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Atomic structure reveals the unique capsid organization of a dsRNA virus.
Proc.Natl.Acad.Sci.USA, 106, 2009
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6DZN
 | | Pan-ebolavirus human antibody ADI-15878 Fab | | Descriptor: | 2-(2-ETHOXYETHOXY)ETHANOL, Antibody ADI-15878, heavy chain, ... | | Authors: | Murin, C.D, Ward, A.B, Bruhn, J.F, Stanfield, R. | | Deposit date: | 2018-07-05 | | Release date: | 2018-09-12 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis of Pan-Ebolavirus Neutralization by an Antibody Targeting the Glycoprotein Fusion Loop.
Cell Rep, 24, 2018
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1MDG
 | | An Alternating Antiparallel Octaplex in an RNA Crystal Structure | | Descriptor: | 5'-R(*UP*(BGM)GP*AP*GP*GP*U)-3', COBALT HEXAMMINE(III), SODIUM ION | | Authors: | Pan, B.C, Xiong, Y, Shi, K, Sundaralingam, M. | | Deposit date: | 2002-08-07 | | Release date: | 2003-08-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | An Eight-Stranded Helical Fragment in RNA Crystal Structure: Implications for Tetraplex Interaction
Structure, 11, 2003
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2OML
 | | crystal structure of E. coli pseudouridine synthase RluE | | Descriptor: | Ribosomal large subunit pseudouridine synthase E, SULFATE ION | | Authors: | Pan, H, Ho, J.D, Stroud, R.M, Finer-Moore, J. | | Deposit date: | 2007-01-22 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The Crystal Structure of E. coli rRNA Pseudouridine Synthase RluE.
J.Mol.Biol., 367, 2007
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2OLW
 | | Crystal Structure of E. coli pseudouridine synthase RluE | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETIC ACID, Ribosomal large subunit pseudouridine synthase E, ... | | Authors: | Pan, H, Ho, J.D, Stroud, R.M, Finer-Moore, J. | | Deposit date: | 2007-01-19 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Crystal Structure of E. coli rRNA Pseudouridine Synthase RluE.
J.Mol.Biol., 367, 2007
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2PKU
 | | Solution structure of PICK1 PDZ in complex with the carboxyl tail peptide of GluR2 | | Descriptor: | PRKCA-binding protein, peptide (GLU)(SER)(VAL)(LYS)(ILE) | | Authors: | Pan, L, Wu, H, Shen, C, Shi, Y, Xia, J, Zhang, M. | | Deposit date: | 2007-04-18 | | Release date: | 2007-11-20 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Clustering and synaptic targeting of PICK1 requires direct interaction between the PDZ domain and lipid membranes
Embo J., 26, 2007
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