4Z0L
 
 | | The murine cyclooxygenase-2 complexed with a nido-dicarbaborate-containing indomethacin derivative | | Descriptor: | (R)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, (S)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Xu, S, Neumann, W, Banerjee, S, Hey-Hawkins, E, Marnett, L.J. | | Deposit date: | 2015-03-26 | | Release date: | 2015-06-10 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | nido-Dicarbaborate Induces Potent and Selective Inhibition of Cyclooxygenase-2.
Chemmedchem, 11, 2016
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2B5B
 | | A reptilian defensin with anti-bacterial and anti-viral activity | | Descriptor: | Defensin | | Authors: | Chattopadhyay, S, Sinha, N.K, Banerjee, S, Roy, D, Chattopadhyay, D, Roy, S. | | Deposit date: | 2005-09-28 | | Release date: | 2006-06-27 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | Small cationic protein from a marine turtle has beta-defensin-like fold and antibacterial and antiviral activity.
Proteins, 64, 2006
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4FM5
 | | X-ray structure of des-methylflurbiprofen bound to murine COX-2 | | Descriptor: | (2-fluorobiphenyl-4-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Xu, S, Banerjee, S, Windsor, M.A, Marnett, L.J. | | Deposit date: | 2012-06-15 | | Release date: | 2012-08-29 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Substrate-Selective Inhibition of Cyclooxygenase-2: Development and Evaluation of Achiral Profen Probes.
ACS Med Chem Lett, 3, 2012
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7ZE9
 | | Structure of an AA16 LPMO-like protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, COPPER (II) ION, ... | | Authors: | Huang, Z, Banerjee, S, Muderspach, S.J, Sun, P, van Berkel, W.J.H, Kabel, M.A, Lo Leggio, L. | | Deposit date: | 2022-03-30 | | Release date: | 2023-03-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.646 Å) | | Cite: | AA16 Oxidoreductases Boost Cellulose-Active AA9 Lytic Polysaccharide Monooxygenases from Myceliophthora thermophila.
Acs Catalysis, 13, 2023
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7ZJ2
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8B9X
 | | Chimeric protein of human UFM1 E3 ligase, UFL1, and DDRGK1 | | Descriptor: | CHLORIDE ION, DDRGK domain-containing protein 1,E3 UFM1-protein ligase 1 | | Authors: | Wiener, R, Isupov, M, banerjee, S. | | Deposit date: | 2022-10-10 | | Release date: | 2023-10-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.066 Å) | | Cite: | Structural study of UFL1-UFC1 interaction uncovers the role of UFL1 N-terminal helix in ufmylation.
Embo Rep., 24, 2023
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3JD1
 | | Glutamate dehydrogenase in complex with NADH, closed conformation | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Glutamate dehydrogenase 1, mitochondrial | | Authors: | Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S. | | Deposit date: | 2016-03-28 | | Release date: | 2016-04-27 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase.
Mol.Pharmacol., 89, 2016
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3JD0
 | | Glutamate dehydrogenase in complex with GTP | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Glutamate dehydrogenase 1, mitochondrial | | Authors: | Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S. | | Deposit date: | 2016-03-28 | | Release date: | 2016-04-27 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase.
Mol.Pharmacol., 89, 2016
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3JD4
 | | Glutamate dehydrogenase in complex with NADH and GTP, closed conformation | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GUANOSINE-5'-TRIPHOSPHATE, Glutamate dehydrogenase 1, ... | | Authors: | Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S. | | Deposit date: | 2016-03-28 | | Release date: | 2016-04-27 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase.
Mol.Pharmacol., 89, 2016
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3JCZ
 | | Structure of bovine glutamate dehydrogenase in the unliganded state | | Descriptor: | Glutamate dehydrogenase 1, mitochondrial | | Authors: | Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S. | | Deposit date: | 2016-03-27 | | Release date: | 2016-04-27 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase.
Mol.Pharmacol., 89, 2016
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3JD3
 | | Glutamate dehydrogenase in complex with NADH and GTP, open conformation | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GUANOSINE-5'-TRIPHOSPHATE, Glutamate dehydrogenase 1, ... | | Authors: | Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S. | | Deposit date: | 2016-03-28 | | Release date: | 2016-04-27 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase.
Mol.Pharmacol., 89, 2016
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3J7H
 | | Structure of beta-galactosidase at 3.2-A resolution obtained by cryo-electron microscopy | | Descriptor: | Beta-galactosidase, MAGNESIUM ION | | Authors: | Bartesaghi, A, Matthies, D, Banerjee, S, Merk, A, Subramaniam, S. | | Deposit date: | 2014-06-30 | | Release date: | 2014-07-30 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure of beta-galactosidase at 3.2- angstrom resolution obtained by cryo-electron microscopy.
Proc.Natl.Acad.Sci.USA, 111, 2014
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3JD2
 | | Glutamate dehydrogenase in complex with NADH, open conformation | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Glutamate dehydrogenase 1, mitochondrial | | Authors: | Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S. | | Deposit date: | 2016-03-28 | | Release date: | 2016-04-27 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase.
Mol.Pharmacol., 89, 2016
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6N47
 | | The structure of SB-2-204-tubulin complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | | Authors: | Arnst, K, Banerjee, S, Wang, Y, Li, W, Miller, D, Li, W. | | Deposit date: | 2018-11-17 | | Release date: | 2019-11-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | X-ray Crystal Structure Guided Discovery and Antitumor Efficacy of Dihydroquinoxalinone as Potent Tubulin Polymerization Inhibitors.
Acs Chem.Biol., 14, 2019
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6UAN
 | | B-Raf:14-3-3 complex | | Descriptor: | 14-3-3 zeta, Serine/threonine-protein kinase B-raf | | Authors: | Kondo, Y, Ognjenovic, J, Banerjee, S, Karandur, D, Merk, A, Kulhanek, K, Wong, K, Roose, J.P, Subramaniam, S, Kuriyan, J. | | Deposit date: | 2019-09-11 | | Release date: | 2019-09-25 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Cryo-EM structure of a dimeric B-Raf:14-3-3 complex reveals asymmetry in the active sites of B-Raf kinases.
Science, 366, 2019
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4EBD
 | | Conformationally Restrained North-methanocarba-2'-deoxyadenosine Corrects the Error-Prone Nature of Human DNA Polymerase Iota | | Descriptor: | 5'-D(P*AP*GP*GP*AP*CP*CP*(DOC))-3', 5'-D(P*CP*TP*GP*GP*GP*TP*CP*CP*T)-3', CALCIUM ION, ... | | Authors: | Eoff, R.L, Ketkar, A, Banerjee, S. | | Deposit date: | 2012-03-23 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.571 Å) | | Cite: | A Nucleotide-Analogue-Induced Gain of Function Corrects the Error-Prone Nature of Human DNA Polymerase iota.
J.Am.Chem.Soc., 134, 2012
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4EBE
 | | Conformationally Restrained North-methanocarba-2'-deoxyadenosine Corrects the Error-Prone Nature of Human DNA Polymerase Iota | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-D(P*AP*GP*GP*AP*CP*CP*(DOC))-3', 5'-D(P*CP*TP*GP*GP*GP*TP*CP*CP*T)-3', ... | | Authors: | Eoff, R.L, Ketkar, A, Banerjee, S. | | Deposit date: | 2012-03-23 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Nucleotide-Analogue-Induced Gain of Function Corrects the Error-Prone Nature of Human DNA Polymerase iota.
J.Am.Chem.Soc., 134, 2012
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2KZT
 | | Structure of the Tandem MA-3 Region of Pdcd4 | | Descriptor: | Programmed cell death protein 4 | | Authors: | Waters, L.C, Strong, S.L, Oka, O, Muskett, F.W, Veverka, V, Banerjee, S, Schmedt, T, Henry, A.J, Klempnauer, K.H, Carr, M.D. | | Deposit date: | 2010-06-24 | | Release date: | 2011-03-16 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structure of the tandem MA-3 region of Pdcd4 protein and characterization of its interactions with eIF4A and eIF4G: molecular mechanisms of a tumor suppressor
J.Biol.Chem., 286, 2011
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4EBC
 | | Conformationally Restrained North-methanocarba-2'-deoxyadenosine Corrects the Error-Prone Nature of Human DNA Polymerase Iota | | Descriptor: | 5'-D(P*AP*GP*GP*AP*CP*CP*(DOC))-3', 5'-D(P*CP*TP*GP*GP*GP*TP*CP*CP*T)-3', CALCIUM ION, ... | | Authors: | Eoff, R.L, Ketkar, A, Banerjee, S. | | Deposit date: | 2012-03-23 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.901 Å) | | Cite: | A Nucleotide-Analogue-Induced Gain of Function Corrects the Error-Prone Nature of Human DNA Polymerase iota.
J.Am.Chem.Soc., 134, 2012
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6P7A
 | | CRYSTAL STRUCTURE OF THE FOWLPOX VIRUS HOLLIDAY JUNCTION RESOLVASE | | Descriptor: | CADMIUM ION, Holliday junction resolvase | | Authors: | Li, N, Shi, K, Banerjee, S, Rao, T, Aihara, H. | | Deposit date: | 2019-06-05 | | Release date: | 2020-04-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.081 Å) | | Cite: | Structural insights into the promiscuous DNA binding and broad substrate selectivity of fowlpox virus resolvase.
Sci Rep, 10, 2020
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6P7B
 | | Crystal structure of Fowlpox virus resolvase and substrate Holliday junction DNA complex | | Descriptor: | DNA (29-MER), Holliday junction resolvase | | Authors: | Li, N, Shi, K, Rao, T, Banerjee, S, Aihara, H. | | Deposit date: | 2019-06-05 | | Release date: | 2020-04-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.317 Å) | | Cite: | Structural insights into the promiscuous DNA binding and broad substrate selectivity of fowlpox virus resolvase.
Sci Rep, 10, 2020
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6E5T
 | | Crystal structure of human cellular retinol binding protein 1 in complex with abnormal-cannabidiorcin (Abn-CBDO) | | Descriptor: | (1'R,2'R)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinol-binding protein 1 | | Authors: | Silvaroli, J.A, Horwitz, S, Banerjee, S, Kiser, P.D, Golczak, M. | | Deposit date: | 2018-07-23 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
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6E6M
 | | Crystal structure of human cellular retinol-binding protein 1 in complex with cannabidiorcin (CBDO) | | Descriptor: | (1'R,2'R)-4,5'-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol, Retinol-binding protein 1 | | Authors: | Silvaroli, J.A, Horwitz, S, Banerjee, S, Kiser, P.D, Golczak, M. | | Deposit date: | 2018-07-25 | | Release date: | 2019-02-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
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6E5L
 | | Crystal structure of human cellular retinol binding protein 1 in complex with abnormal-cannabidiol (abn-CBD) | | Descriptor: | (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinol-binding protein 1 | | Authors: | Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M. | | Deposit date: | 2018-07-20 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
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6E6K
 | | Crystal structure of human cellular retinol-binding protein 4 in complex with abnormal-cannabidiol (abn-CBD) | | Descriptor: | (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinoid-binding protein 7 | | Authors: | Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M. | | Deposit date: | 2018-07-25 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
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