4GE4
 
 | | Kynurenine Aminotransferase II Inhibitors | | Descriptor: | (5-hydroxy-4-{[(1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | | Authors: | Pandit, J. | | Deposit date: | 2012-08-01 | | Release date: | 2012-11-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions.
ACS Med Chem Lett, 4, 2013
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4GDY
 | | Kynurenine Aminotransferase II inhibitors | | Descriptor: | (5-hydroxy-6-methyl-4-{[(1-oxo-7-phenoxy-1,2-dihydro[1,2,4]triazolo[4,3-a]quinolin-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | | Authors: | Pandit, J. | | Deposit date: | 2012-08-01 | | Release date: | 2012-08-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Discovery of Hydroxamate Bioisosteres as KATII Inhibitors with Improved Oral Bioavailability and Pharmacokinetics
MEDCHEMCOMM, 2012
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4GE9
 | | Kynurenine Aminotransferase II Inhibitors | | Descriptor: | (4-{[(6-benzyl-1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | | Authors: | Pandit, J. | | Deposit date: | 2012-08-01 | | Release date: | 2012-11-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions.
ACS Med Chem Lett, 4, 2013
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8Y6V
 | | Near-atomic structure of icosahedrally averaged jumbo bacteriophage PhiKZ capsid | | Descriptor: | gp119, gp120, gp162, ... | | Authors: | Yang, Y, Shao, Q, Guo, M, Han, L, Zhao, X, Wang, A, Li, X, Wang, B, Pan, J, Chen, Z, Fokine, A, Sun, L, Fang, Q. | | Deposit date: | 2024-02-03 | | Release date: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Capsid structure of bacteriophage Phi KZ provides insights into assembly and stabilization of jumbo phages.
Nat Commun, 15, 2024
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4XBS
 | | 2-deoxyribose-5-phosphate aldolase mutant - E78K | | Descriptor: | Deoxyribose-phosphate aldolase | | Authors: | Jiao, X.-C, Pan, J, Xu, G.-C, Kong, X.-D, Chen, Q, Zhang, Z.-J, Xu, J.-H. | | Deposit date: | 2014-12-17 | | Release date: | 2015-11-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Efficient synthesis of a statin precursor in high space-time yield by a new aldehyde-tolerant aldolase identified from Lactobacillus brevis
Catalysis Science And Technology, 5, 2015
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2EA1
 | | Crystal structure of Ribonuclease I from Escherichia coli COMPLEXED WITH GUANYLYL-2(PRIME),5(PRIME)-GUANOSINE | | Descriptor: | GUANYLYL-2',5'-PHOSPHOGUANOSINE, Ribonuclease I | | Authors: | Zhou, K, Pan, J, Padmanabhan, S, Lim, R.W, Lim, L.W. | | Deposit date: | 2007-01-29 | | Release date: | 2008-01-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Ribonuclease I from Escherichia Coli Complexed with Guanylyl-2(Prime),5(Prime)-Guanosine at 1.80 Angstroms Resolution
To be Published
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5UK2
 | | CryoEM structure of an influenza virus receptor-binding site antibody-antigen interface - Class 4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ... | | Authors: | Liu, Y, Pan, J, Caradonna, T, Jenni, S, Raymond, D.D, Schmidt, A.G, Harrison, S.C, Grigorieff, N. | | Deposit date: | 2017-01-19 | | Release date: | 2017-05-31 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | CryoEM Structure of an Influenza Virus Receptor-Binding Site Antibody-Antigen Interface.
J. Mol. Biol., 429, 2017
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5UJZ
 | | CryoEM structure of an influenza virus receptor-binding site antibody-antigen interface - Class 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ... | | Authors: | Liu, Y, Pan, J, Caradonna, T, Jenni, S, Raymond, D.D, Schmidt, A.G, Harrison, S.C, Grigorieff, N. | | Deposit date: | 2017-01-19 | | Release date: | 2017-05-31 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | CryoEM Structure of an Influenza Virus Receptor-Binding Site Antibody-Antigen Interface.
J. Mol. Biol., 429, 2017
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5UK0
 | | CryoEM structure of an influenza virus receptor-binding site antibody-antigen interface - Class 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ... | | Authors: | Liu, Y, Pan, J, Caradonna, T, Jenni, S, Raymond, D.D, Schmidt, A.G, Harrison, S.C, Grigorieff, N. | | Deposit date: | 2017-01-19 | | Release date: | 2017-05-31 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | CryoEM Structure of an Influenza Virus Receptor-Binding Site Antibody-Antigen Interface.
J. Mol. Biol., 429, 2017
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5UK1
 | | CryoEM structure of an influenza virus receptor-binding site antibody-antigen interface - Class 3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ... | | Authors: | Liu, Y, Pan, J, Caradonna, T, Jenni, S, Raymond, D.D, Schmidt, A.G, Harrison, S.C, Grigorieff, N. | | Deposit date: | 2017-01-19 | | Release date: | 2017-05-31 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | CryoEM Structure of an Influenza Virus Receptor-Binding Site Antibody-Antigen Interface.
J. Mol. Biol., 429, 2017
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8UA8
 | | Structure of Semliki Forest virus VLP in complex with VLDLR LA2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Assembly protein E3, ... | | Authors: | Abraham, J, Yang, P, Li, W, Fan, X, Pan, J. | | Deposit date: | 2023-09-20 | | Release date: | 2024-08-14 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cryo-EM structure of SFV VLP-VLDLRAD2 complex at the 3-fold axes
To Be Published
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8UA9
 | | Structure of eastern equine encephalitis virus VLP unliganded quasi-threefold spike protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein, Envelope glycoprotein E1, ... | | Authors: | Abraham, J, Yang, P, Li, W, Fan, X, Pan, J. | | Deposit date: | 2023-09-20 | | Release date: | 2024-08-14 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for VLDLR recognition by eastern equine encephalitis virus.
Nat Commun, 15, 2024
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8UA4
 | | Structure of eastern equine encephalitis virus VLP in complex with VLDLR LA1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Capsid protein, ... | | Authors: | Abraham, J, Yang, P, Li, W, Fan, X, Pan, J. | | Deposit date: | 2023-09-20 | | Release date: | 2024-08-14 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Structural basis for VLDLR recognition by eastern equine encephalitis virus.
Nat Commun, 15, 2024
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8WA2
 | | cryo-EM structure of native mastigonemes isolated from Chlamydomonas reinhardtii at 3.0 angstrom resolution | | 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: | Huang, J, Tao, H, Chen, J, Pan, J, Yan, C, Yan, N. | | Deposit date: | 2023-09-06 | | Release date: | 2024-04-10 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure-guided discovery of protein and glycan components in native mastigonemes.
Cell, 187, 2024
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4IRE
 | | Crystal structure of GLIC with mutations at the loop C region | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ACETATE ION, OXALATE ION, ... | | Authors: | Chen, Q, Pan, J, Liang, Y.H, Xu, Y, Tang, P. | | Deposit date: | 2013-01-14 | | Release date: | 2013-04-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Signal transduction pathways in the pentameric ligand-gated ion channels.
Plos One, 8, 2013
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8U6X
 | | ATP-dependent DNA ligase Lig E from Neisseria gonorrhoeae | | Descriptor: | ADENOSINE MONOPHOSPHATE, DNA (5'-D(*AP*TP*TP*GP*CP*GP*AP*CP*CP*CP*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*A)-3'), DNA (5'-D(*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3'), ... | | Authors: | Williamson, A, Pan, J. | | Deposit date: | 2023-09-14 | | Release date: | 2024-01-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | A role for the ATP-dependent DNA ligase lig E of Neisseria gonorrhoeae in biofilm formation.
Bmc Microbiol., 24, 2024
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2OUZ
 | | Crystal Structure of Estrogen Receptor alpha-lasofoxifene complex | | Descriptor: | (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL, Estrogen receptor | | Authors: | Vajdos, F.F, Pandit, J. | | Deposit date: | 2007-02-12 | | Release date: | 2007-05-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The 2.0 A crystal structure of the ER{alpha} ligand-binding domain complexed with lasofoxifene
Protein Sci., 16, 2007
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3IYM
 | | Backbone Trace of the Capsid Protein Dimer of a Fungal Partitivirus from Electron Cryomicroscopy and Homology Modeling | | Descriptor: | Capsid protein | | Authors: | Tang, J, Pan, J, Havens, W.F, Ochoa, W.F, Li, H, Sinkovits, R.S, Guu, T.S.Y, Ghabrial, S.A, Nibert, M.L, Tao, J.Y, Baker, T.S. | | Deposit date: | 2010-02-05 | | Release date: | 2010-07-28 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Backbone Trace of Partitivirus Capsid Protein from Electron Cryomicroscopy and Homology Modeling
Biophys.J., 99, 2010
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8H61
 | | Ketoreductase CpKR mutant - M2 | | Descriptor: | Mutant M2 of ketoreductase CpKR, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Chen, C, Pan, J, Xu, J.H. | | Deposit date: | 2022-10-14 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Computational redesign of a robust ketoreductase for asymmetric synthesis of enantiopure diltiazem precursor.
To Be Published
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7XDU
 | | TtherAmDH-NAD+ | | Descriptor: | 4-hydroxy-tetrahydrodipicolinate reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Chen, C, Qian, Y.Y, Pan, J, Bai, Y.P, Xu, J.H. | | Deposit date: | 2022-03-28 | | Release date: | 2023-04-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Stereoselective synthesis of chiral lactams via an engineered natural amine dehydrogenase.
To Be Published
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7XWU
 | | Ketoreductase CpKR mutant - M1 | | Descriptor: | DI(HYDROXYETHYL)ETHER, Epimerase domain-containing protein, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Chen, C, Zheng, Y.C, Pan, J, Xu, J.H. | | Deposit date: | 2022-05-27 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Computational Redesign of a robust Ketoreductase for Asymmetric Synthesis of Enantiopure diltiazem precursor.
To Be Published
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7Y0K
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4XBK
 | | 2-deoxyribose-5-phosphate aldolase from Lactobacillus brevis | | Descriptor: | ACETIC ACID, Deoxyribose-phosphate aldolase | | Authors: | Jiao, X.-C, Pan, J, Xu, G.-C, Kong, X.-D, Chen, Q, Zhang, Z.-J, Xu, J.-H. | | Deposit date: | 2014-12-17 | | Release date: | 2015-11-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.951 Å) | | Cite: | Efficient synthesis of a statin precursor in high space-time yield by a new aldehyde-tolerant aldolase identified from Lactobacillus brevis
Catalysis Science And Technology, 5, 2015
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4WZI
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4X0F
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