PDB: 3051 resultsInfo pagesStatus searchChemie searchBIRD

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5UBY	Fab structure of anti-HIV-1 gp120 mAb 1A8 Descriptor: Heavy chain of Fab fragment of anti-HIV1 gp120 mAb 1A8, Light chain of Fab fragment of anti-HIV1 gp120 mAb 1A8 Authors: Pan, R, Kong, X.-P. Deposit date: 2016-12-21 Release date: 2018-01-10 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.6 Å) Cite: High Antibody Diversity and Low Inter-clonal Competition Favor Production of Functional Neutralizing Antibodies To be Published
5UBZ	Fab structure of HIV gp120 specific mAb 1E12 Descriptor: Anti-HIV1 gp120 mAb 1E12 Fab heavy chain, Anti-HIV1 gp120 mAb 1E12 Fab light chain Authors: Pan, R, Kong, X.-P. Deposit date: 2016-12-21 Release date: 2018-01-10 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.75 Å) Cite: High Antibody Diversity and Low Inter-clonal Competition Favor Production of Functional Neutralizing Antibodies To be published
3TOE	Structure of Mth10b Descriptor: DNA/RNA-binding protein Alba Authors: Pan, X.M, Zhang, N, Liu, Y.F, Liu, X. Deposit date: 2011-09-05 Release date: 2012-04-25 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.197 Å) Cite: Molecular mechanism underlying the interaction of typical Sac10b family proteins with DNA. Plos One, 7, 2012
6VU2	M1214_N1 Fab structure Descriptor: M1214 N1 Fab heavy chain, M1214 N1 Fab light chain Authors: Pan, R, Kong, X. Deposit date: 2020-02-14 Release date: 2020-05-06 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.19 Å) Cite: VSV-Displayed HIV-1 Envelope Identifies Broadly Neutralizing Antibodies Class-Switched to IgG and IgA. Cell Host Microbe, 27, 2020
3IVH	Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents Descriptor: Beta-secretase 1, N-[(1S,2R)-3-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide Authors: Pan, H. Deposit date: 2009-09-01 Release date: 2010-01-05 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Design and synthesis of cell potent BACE-1 inhibitors: structure-activity relationship of P1' substituents. Bioorg.Med.Chem.Lett., 19, 2009
3IVI	Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents Descriptor: Beta-secretase 1, GLYCEROL, N-[(1S,2R)-3-{[(5S)-5-(3-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide, ... Authors: Pan, H. Deposit date: 2009-09-01 Release date: 2010-01-05 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Design and synthesis of cell potent BACE-1 inhibitors: structure-activity relationship of P1' substituents. Bioorg.Med.Chem.Lett., 19, 2009
3K1R	Structure of harmonin NPDZ1 in complex with the SAM-PBM of Sans Descriptor: Harmonin, Usher syndrome type-1G protein Authors: Pan, L, Yan, J, Zhang, M. Deposit date: 2009-09-28 Release date: 2010-01-26 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.3 Å) Cite: The structure of the harmonin/sans complex reveals an unexpected interaction mode of the two Usher syndrome proteins Proc.Natl.Acad.Sci.USA, 107, 2010
5BTU	The structure of Diels-Alderase PyrI4 in the biosynthetic pathway of pyrroindomycins Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, PyrI4 Authors: Pan, L, Guo, Y, Liu, J. Deposit date: 2015-06-03 Release date: 2016-02-24 Last modified: 2016-03-30 Method: X-RAY DIFFRACTION (2.503 Å) Cite: Enzyme-Dependent [4 + 2] Cycloaddition Depends on Lid-like Interaction of the N-Terminal Sequence with the Catalytic Core in PyrI4 Cell Chem Biol, 23, 2016
5BU3	Crystal Structure of Diels-Alderase PyrI4 in complex with its product Descriptor: (4S,4aS,6aS,8R,9R,10aR,13R,14aS,18aR,18bR)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,5,6,6a,7,8,9,10,10a,13,14,18a,18b-hexadecahydro-1H-14a,17-(metheno)benzo[b]naphtho[2,1-h]azacyclododecine-16,18(15H,17H)-dione, GLYCEROL, PyrI4 Authors: Pan, L, Guo, Y, Liu, J. Deposit date: 2015-06-03 Release date: 2016-02-24 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.897 Å) Cite: Enzyme-Dependent [4 + 2] Cycloaddition Depends on Lid-like Interaction of the N-Terminal Sequence with the Catalytic Core in PyrI4 Cell Chem Biol, 23, 2016
5XGV	The structure of Diels-Alderase PyrE3 in the biosynthetic pathway of pyrroindomycins Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, PyrE3 Authors: Pan, L, Gong, Y, Guo, Y. Deposit date: 2017-04-18 Release date: 2018-04-25 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.099 Å) Cite: Structural Insights into a Flavin-Dependent [4 + 2] Cyclase that Catalyzes trans-Decalin Formation in Pyrroindomycin Biosynthesis. Cell Chem Biol, 25, 2018
5YT6	Crystal structure of TAX1BP1 UBZ2 in complex with mono-ubiquitin Descriptor: 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ... Authors: Pan, L, Hu, S. Deposit date: 2017-11-17 Release date: 2018-07-11 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.501 Å) Cite: Mechanistic Insights into Recognitions of Ubiquitin and Myosin VI by Autophagy Receptor TAX1BP1. J. Mol. Biol., 430, 2018
5ZFL	Crystal structure of beta-lactamase PenP mutant E166Y Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase Authors: Pan, X, Zhao, Y. Deposit date: 2018-03-06 Release date: 2019-03-20 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.5 Å) Cite: The hydrolytic water molecule of Class A beta-lactamase relies on the acyl-enzyme intermediate ES* for proper coordination and catalysis. Sci Rep, 10, 2020
5ZG6	Crystal structure of beta-lactamase PenP mutant-E166Y in complex with cephaloridine as "post-acylation" intermediate Descriptor: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase Authors: Pan, X, Zhao, Y. Deposit date: 2018-03-07 Release date: 2019-03-20 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2 Å) Cite: The hydrolytic water molecule of Class A beta-lactamase relies on the acyl-enzyme intermediate ES* for proper coordination and catalysis. Sci Rep, 10, 2020
5ZFT	Crystal structure of beta-lactamase PenP mutant-E166Y in complex with cephaloridine as "pre-deacylation" intermediate Descriptor: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase Authors: Pan, X, Zhao, Y. Deposit date: 2018-03-07 Release date: 2019-03-20 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.93 Å) Cite: The hydrolytic water molecule of Class A beta-lactamase relies on the acyl-enzyme intermediate ES* for proper coordination and catalysis. Sci Rep, 10, 2020
5F5N	The structure of monooxygenase KstA11 in complex with NAD and its substrate Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, MAGNESIUM ION, ... Authors: Pan, L, Gong, Y. Deposit date: 2015-12-04 Release date: 2016-12-21 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.304 Å) Cite: Hydroxyl regioisomerization of anthracycline catalyzed by a four-enzyme cascade Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5F5L	The structure of monooxygenase KstA11 in the biosynthetic pathway of kosinostatin Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, Monooxygenase Authors: Pan, L, Gong, Y. Deposit date: 2015-12-04 Release date: 2016-12-21 Last modified: 2017-03-01 Method: X-RAY DIFFRACTION (1.68 Å) Cite: Hydroxyl regioisomerization of anthracycline catalyzed by a four-enzyme cascade Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8EA2	Structure of 2-hydroxyisoflavanone dehydratase from Pueraria lobate Descriptor: 2-hydroxyisoflavanone dehydratase Authors: Pan, H, Wang, X. Deposit date: 2022-08-27 Release date: 2022-11-30 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.394 Å) Cite: The protein conformational basis of isoflavone biosynthesis. Commun Biol, 5, 2022
8E83	Structure of 2-hydroxyisoflavanone synthase from Medicago truncatula Descriptor: Isoflavone synthase 1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION Authors: Pan, H, Wang, X. Deposit date: 2022-08-25 Release date: 2022-11-30 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2 Å) Cite: The protein conformational basis of isoflavone biosynthesis. Commun Biol, 5, 2022
8EA1	Structure of kudzu 2-hydroxyisoflavanone dehydratase in complex with P-NITROPHENOL Descriptor: 2-hydroxyisoflavanone dehydratase, P-NITROPHENOL Authors: Pan, H, Wang, X. Deposit date: 2022-08-27 Release date: 2022-11-30 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.29 Å) Cite: The protein conformational basis of isoflavone biosynthesis. Commun Biol, 5, 2022
7MSL	Structure of anti-CRISPR AcrIIC4 from Haemophilus parainfluenzae Descriptor: AcrIIC4, IODIDE ION Authors: Pan, C, Maxwell, K.L, Moraes, T.F. Deposit date: 2021-05-11 Release date: 2022-03-23 Method: X-RAY DIFFRACTION (1.73 Å) Cite: Structural and Mechanistic Insight into CRISPR-Cas9 Inhibition by Anti-CRISPR Protein AcrIIC4 Hpa. J.Mol.Biol., 434, 2022
7SN0	Crystal structure of spike protein receptor binding domain of escape mutant SARS-CoV-2 from immunocompromised patient (d146*) in complex with human receptor ACE2 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-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)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Pan, J, Abraham, J, Clark, S. Deposit date: 2021-10-27 Release date: 2021-12-08 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (3.08 Å) Cite: Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain. Science, 375, 2022
7SN1	Structure of human SARS-CoV-2 neutralizing antibody C1C-A3 Fab Descriptor: neutralizing antibody C1C-A3 Fab heavy chain, neutralizing antibody C1C-A3 Fab light chain Authors: Pan, J, Abraham, J, Clark, S. Deposit date: 2021-10-27 Release date: 2021-12-08 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.467 Å) Cite: Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain. Science, 375, 2022
7SN3	Structure of human SARS-CoV-2 spike glycoprotein trimer bound by neutralizing antibody C1C-A3 Fab (variable region) Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Pan, J, Abraham, J, Shankar, S. Deposit date: 2021-10-27 Release date: 2021-12-08 Last modified: 2022-02-02 Method: ELECTRON MICROSCOPY (3.1 Å) Cite: Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain. Science, 375, 2022
7SN2	Structure of human SARS-CoV-2 neutralizing antibody C1C-A3 Fab Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Pan, J, Abraham, J, Yang, P, Shankar, S. Deposit date: 2021-10-27 Release date: 2021-12-08 Last modified: 2022-02-02 Method: ELECTRON MICROSCOPY (4.3 Å) Cite: Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain. Science, 375, 2022
4I6H	Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce alpha-Synuclein Phosphorylation in Rat Brain Descriptor: (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-4-yl)-1H-imidazol-1-yl]-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase PLK2 Authors: Pan, H. Deposit date: 2012-11-29 Release date: 2013-08-14 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.91 Å) Cite: Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce alpha-Synuclein Phosphorylation in Rat Brain Chemmedchem, 8, 2013

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