5U7L
 
 | | PDE2 catalytic domain complexed with inhibitors | | Descriptor: | (3R)-1-{3-[5-(4-ethylphenyl)-1-methyl-1H-pyrazol-4-yl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-N,N-dimethylpyrrolidin-3-amine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Pandit, J, Parris, K. | | Deposit date: | 2016-12-12 | | Release date: | 2017-06-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor.
J. Med. Chem., 60, 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: | 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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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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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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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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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: | 2011-07-13 | | 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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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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3ZED
 | | X-ray structure of the birnavirus VP1-VP3 complex | | Descriptor: | CAPSID PROTEIN VP3, GLYCEROL, POTASSIUM ION, ... | | Authors: | Bahar, M.W, Sarin, L.P, Graham, S.C, Pang, J, Bamford, D.H, Stuart, D.I, Grimes, J.M. | | Deposit date: | 2012-12-04 | | Release date: | 2013-01-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of a Vp1-Vp3 Complex Suggests How Birnaviruses Package the Vp1 Polymerase.
J.Virol., 87, 2013
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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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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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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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4XXS
 | | Crystal structure of BACE1 with a pyrazole-substituted tetrahydropyran thioamidine | | Descriptor: | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | | Authors: | Parris, K.D, Pandit, J. | | Deposit date: | 2015-01-30 | | Release date: | 2015-04-01 | | Last modified: | 2015-04-22 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors.
J.Med.Chem., 58, 2015
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7RSJ
 | | Structure of the VPS34 kinase domain with compound 14 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide, ... | | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | Deposit date: | 2021-08-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.881 Å) | | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
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7RSP
 | | Structure of the VPS34 kinase domain with compound 14 | | Descriptor: | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3 | | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | Deposit date: | 2021-08-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
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7RSV
 | | Structure of the VPS34 kinase domain with compound 5 | | Descriptor: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ... | | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | Deposit date: | 2021-08-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
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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: | 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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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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6DST
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4WZI
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4X0F
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1VLS
 | | LIGAND BINDING DOMAIN OF THE WILD-TYPE ASPARTATE RECEPTOR | | Descriptor: | ASPARTATE RECEPTOR | | Authors: | Kim, S.-H, Yeh, J.I, Biemann, H.-P, Prive, G, Pandit, J, Koshland Junior, D.E. | | Deposit date: | 1996-09-17 | | Release date: | 1997-04-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | High-resolution structures of the ligand binding domain of the wild-type bacterial aspartate receptor.
J.Mol.Biol., 262, 1996
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1VLT
 | | LIGAND BINDING DOMAIN OF THE WILD-TYPE ASPARTATE RECEPTOR WITH ASPARTATE | | Descriptor: | ASPARTATE RECEPTOR, ASPARTIC ACID | | Authors: | Kim, S.-H, Yeh, J.I, Biemann, H.-P, Prive, G, Pandit, J, Koshland Junior, D.E. | | Deposit date: | 1996-09-17 | | Release date: | 1997-05-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | High-resolution structures of the ligand binding domain of the wild-type bacterial aspartate receptor.
J.Mol.Biol., 262, 1996
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2NBR
 | | The Solution Structure of Human gammaC-crystallin | | Descriptor: | Gamma-crystallin C | | Authors: | Dixit, K, Pande, A, Pande, J, Sarma, S.P. | | Deposit date: | 2016-03-12 | | Release date: | 2016-06-01 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Nuclear Magnetic Resonance Structure of a Major Lens Protein, Human gamma C-Crystallin: Role of the Dipole Moment in Protein Solubility.
Biochemistry, 55, 2016
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