7SN0
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![BU of 7sn0 by Molmil](/molmil-images/mine/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
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7SN3
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![BU of 7sn3 by Molmil](/molmil-images/mine/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
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7SN1
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![BU of 7sn1 by Molmil](/molmil-images/mine/7sn1) | |
7SN2
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![BU of 7sn2 by Molmil](/molmil-images/mine/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
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6PWU
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![BU of 6pwu by Molmil](/molmil-images/mine/6pwu) | Structure of full-length, fully glycosylated, non-modified HIV-1 gp160 bound to PG16 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pan, J, Chen, B, Harrison, S.C. | Deposit date: | 2019-07-23 | Release date: | 2020-02-26 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (6.2 Å) | Cite: | Cryo-EM Structure of Full-length HIV-1 Env Bound With the Fab of Antibody PG16. J.Mol.Biol., 432, 2020
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6U5O
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![BU of 6u5o by Molmil](/molmil-images/mine/6u5o) | Structure of the Human Metapneumovirus Polymerase bound to the phosphoprotein tetramer | Descriptor: | Phosphoprotein, RNA-directed RNA polymerase L | Authors: | Pan, J, Qian, X, Lattmann, S, Sahili, A.E, Yeo, T.H, Kalocsay, M, Fearns, R, Lescar, J. | Deposit date: | 2019-08-28 | Release date: | 2019-09-25 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structure of the human metapneumovirus polymerase phosphoprotein complex. Nature, 577, 2020
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6ULC
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![BU of 6ulc by Molmil](/molmil-images/mine/6ulc) | Structure of full-length, fully glycosylated, non-modified HIV-1 gp160 bound to PG16 Fab at a nominal resolution of 4.6 Angstrom | 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: | Pan, J, Chen, B, Harrison, S.C. | Deposit date: | 2019-10-07 | Release date: | 2020-04-29 | Last modified: | 2020-09-09 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Cryo-EM Structure of Full-length HIV-1 Env Bound With the Fab of Antibody PG16. J.Mol.Biol., 432, 2020
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3RQW
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![BU of 3rqw by Molmil](/molmil-images/mine/3rqw) | Crystal structure of acetylcholine bound to a prokaryotic pentameric ligand-gated ion channel, ELIC | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETYLCHOLINE, ELIC Pentameric Ligand Gated Ion Channel from Erwinia Chrysanthemi, ... | Authors: | Pan, J.J, Chen, Q, Yoshida, K, Cohen, A, Kong, X.P, Xu, Y, Tang, P. | Deposit date: | 2011-04-28 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.913 Å) | Cite: | Structure of the pentameric ligand-gated ion channel ELIC cocrystallized with its competitive antagonist acetylcholine. Nat Commun, 3, 2012
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3RQU
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![BU of 3rqu by Molmil](/molmil-images/mine/3rqu) | Crystal structure of a prokaryotic pentameric ligand-gated ion channel, ELIC | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ELIC Pentameric Ligand Gated Ion Channel from Erwinia Chrysanthemi, GLYCEROL | Authors: | Pan, J.J, Chen, Q, Yoshida, K, Cohen, A, Kong, X.P, Xu, Y, Tang, P. | Deposit date: | 2011-04-28 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.089 Å) | Cite: | Structure of the pentameric ligand-gated ion channel ELIC cocrystallized with its competitive antagonist acetylcholine. Nat Commun, 3, 2012
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3ES5
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![BU of 3es5 by Molmil](/molmil-images/mine/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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5WBP
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![BU of 5wbp by Molmil](/molmil-images/mine/5wbp) | |
3CQU
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![BU of 3cqu by Molmil](/molmil-images/mine/3cqu) | Crystal Structure of Akt-1 complexed with substrate peptide and inhibitor | Descriptor: | Glycogen synthase kinase-3 beta, N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, RAC-alpha serine/threonine-protein kinase | Authors: | Pandit, J. | Deposit date: | 2008-04-03 | Release date: | 2008-05-27 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Synthesis and structure based optimization of novel Akt inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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7KFV
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![BU of 7kfv by Molmil](/molmil-images/mine/7kfv) | Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-B12 Fab) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of antibody C1A-B12 Fab, Spike glycoprotein, ... | Authors: | Pan, J, Abraham, J, Clark, L, Clark, S. | Deposit date: | 2020-10-15 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Molecular basis for a germline-biased neutralizing antibody response to SARS-CoV-2. Biorxiv, 2020
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7KFW
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![BU of 7kfw by Molmil](/molmil-images/mine/7kfw) | Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-B3 Fab) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, heavy chain of antibody C1A-B3 Fab, ... | Authors: | Pan, J, Abraham, J, Clark, L, Clark, S. | Deposit date: | 2020-10-15 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.792 Å) | Cite: | Molecular basis for a germline-biased neutralizing antibody response to SARS-CoV-2. Biorxiv, 2020
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7KFY
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![BU of 7kfy by Molmil](/molmil-images/mine/7kfy) | Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-F10 Fab) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, heavy chain of human antibody C1A-F10 Fab, ... | Authors: | Pan, J, Abraham, J, Clark, L, Clark, S. | Deposit date: | 2020-10-15 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.157 Å) | Cite: | Molecular basis for a germline-biased neutralizing antibody response to SARS-CoV-2. Biorxiv, 2020
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7KFX
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![BU of 7kfx by Molmil](/molmil-images/mine/7kfx) | Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-C2 Fab) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, heavy chain of human antibody C1A-C2 Fab, ... | Authors: | Pan, J, Abraham, J, Clark, L, Clark, S. | Deposit date: | 2020-10-15 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.226 Å) | Cite: | Molecular basis for a germline-biased neutralizing antibody response to SARS-CoV-2. Biorxiv, 2020
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2PGG
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![BU of 2pgg by Molmil](/molmil-images/mine/2pgg) | |
4GE7
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![BU of 4ge7 by Molmil](/molmil-images/mine/4ge7) | Kynurenine Aminotransferase II Inhibitors | Descriptor: | (5-hydroxy-4-{[(1-hydroxy-2-oxo-6-phenoxy-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: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.1 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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4GE4
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![BU of 4ge4 by Molmil](/molmil-images/mine/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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4GE9
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![BU of 4ge9 by Molmil](/molmil-images/mine/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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4GDY
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![BU of 4gdy by Molmil](/molmil-images/mine/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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4F8H
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![BU of 4f8h by Molmil](/molmil-images/mine/4f8h) | X-ray Structure of the Anesthetic Ketamine Bound to the GLIC Pentameric Ligand-gated Ion Channel | Descriptor: | (R)-ketamine, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Proton-gated ion channel, ... | Authors: | Pan, J.J, Chen, Q, Willenbring, D, Kong, X.P, Cohen, A, Xu, Y, Tang, P. | Deposit date: | 2012-05-17 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structure of the Pentameric Ligand-Gated Ion Channel GLIC Bound with Anesthetic Ketamine. Structure, 20, 2012
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5KRE
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![BU of 5kre by Molmil](/molmil-images/mine/5kre) | Covalent inhibitor of LYPLAL1 | Descriptor: | (2~{R})-2-phenylpiperidine-1-carbaldehyde, Lysophospholipase-like protein 1, NITRATE ION | Authors: | Pandit, J. | Deposit date: | 2016-07-07 | Release date: | 2016-07-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of a Selective Covalent Inhibitor of Lysophospholipase-like 1 (LYPLAL1) as a Tool to Evaluate the Role of this Serine Hydrolase in Metabolism. Acs Chem.Biol., 11, 2016
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6BQ0
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![BU of 6bq0 by Molmil](/molmil-images/mine/6bq0) | Structure of human monoacylglycerol lipase bound to a covalent inhibitor | Descriptor: | 1-({(1R,5S,6r)-6-[1-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carbonyl}oxy)pyrrolidine-2,5-dione, Monoglyceride lipase | Authors: | Pandit, J. | Deposit date: | 2017-11-27 | Release date: | 2018-03-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Trifluoromethyl Glycol Carbamates as Potent and Selective Covalent Monoacylglycerol Lipase (MAGL) Inhibitors for Treatment of Neuroinflammation. J. Med. Chem., 61, 2018
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6WDP
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![BU of 6wdp by Molmil](/molmil-images/mine/6wdp) | Interleukin 12 receptor subunit beta-1 | Descriptor: | GLYCEROL, Interleukin-12 receptor subunit beta-1, SULFATE ION | Authors: | Spangler, J.B, Thomas, C, Jude, K.M, Garcia, K.C. | Deposit date: | 2020-04-01 | Release date: | 2021-02-24 | Last modified: | 2021-12-01 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural basis for IL-12 and IL-23 receptor sharing reveals a gateway for shaping actions on T versus NK cells. Cell, 184, 2021
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