3JD1
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![BU of 3jd1 by Molmil](/molmil-images/mine/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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3JCZ
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![BU of 3jcz by Molmil](/molmil-images/mine/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
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![BU of 3jd3 by Molmil](/molmil-images/mine/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
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![BU of 3j7h by Molmil](/molmil-images/mine/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
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![BU of 3jd2 by Molmil](/molmil-images/mine/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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3JD0
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![BU of 3jd0 by Molmil](/molmil-images/mine/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
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![BU of 3jd4 by Molmil](/molmil-images/mine/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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5K11
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![BU of 5k11 by Molmil](/molmil-images/mine/5k11) | Cryo-EM structure of isocitrate dehydrogenase (IDH1) in inhibitor-bound state | Descriptor: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S. | Deposit date: | 2016-05-17 | Release date: | 2016-06-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery. Cell, 165, 2016
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5K10
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![BU of 5k10 by Molmil](/molmil-images/mine/5k10) | Cryo-EM structure of isocitrate dehydrogenase (IDH1) | Descriptor: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S. | Deposit date: | 2016-05-17 | Release date: | 2016-06-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery. Cell, 165, 2016
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5W58
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![BU of 5w58 by Molmil](/molmil-images/mine/5w58) | Crystal Complex of Cyclooxygenase-2: (S)-ARN-2508 (a dual COX and FAAH inhibitor) | Descriptor: | (2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xu, S, Goodman, M.C, Banerjee, S, Piomelli, D, Marnett, L.J. | Deposit date: | 2017-06-14 | Release date: | 2018-01-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.267 Å) | Cite: | Dual cyclooxygenase-fatty acid amide hydrolase inhibitor exploits novel binding interactions in the cyclooxygenase active site. J. Biol. Chem., 293, 2018
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5K12
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![BU of 5k12 by Molmil](/molmil-images/mine/5k12) | Cryo-EM structure of glutamate dehydrogenase at 1.8 A resolution | Descriptor: | Glutamate dehydrogenase 1, mitochondrial | Authors: | Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S. | Deposit date: | 2016-05-17 | Release date: | 2016-06-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (1.8 Å) | Cite: | Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery. Cell, 165, 2016
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5HBS
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![BU of 5hbs by Molmil](/molmil-images/mine/5hbs) | Crystal structure of human cellular retinol binding protein 1 in complex with all-trans-retinol at 0.89 angstrom. | Descriptor: | RETINOL, Retinol-binding protein 1 | Authors: | Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S. | Deposit date: | 2016-01-02 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (0.89 Å) | Cite: | Ligand Binding Induces Conformational Changes in Human Cellular Retinol-binding Protein 1 (CRBP1) Revealed by Atomic Resolution Crystal Structures. J.Biol.Chem., 291, 2016
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5HA1
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![BU of 5ha1 by Molmil](/molmil-images/mine/5ha1) | Crystal structure of human cellular retinol binding protein 1 in complex with retinylamine | Descriptor: | (2~{E},4~{E},6~{E},8~{E})-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine, Retinol-binding protein 1 | Authors: | Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S. | Deposit date: | 2015-12-29 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Ligand Binding Induces Conformational Changes in Human Cellular Retinol-binding Protein 1 (CRBP1) Revealed by Atomic Resolution Crystal Structures. J.Biol.Chem., 291, 2016
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5H8T
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![BU of 5h8t by Molmil](/molmil-images/mine/5h8t) | Crystal structure of human cellular retinol binding protein 1 in complex with all-trans-retinol | Descriptor: | RETINOL, Retinol-binding protein 1 | Authors: | Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S. | Deposit date: | 2015-12-23 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Ligand Binding Induces Conformational Changes in Human Cellular Retinol-binding Protein 1 (CRBP1) Revealed by Atomic Resolution Crystal Structures. J.Biol.Chem., 291, 2016
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5K0Z
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![BU of 5k0z by Molmil](/molmil-images/mine/5k0z) | Cryo-EM structure of lactate dehydrogenase (LDH) in inhibitor-bound state | Descriptor: | L-lactate dehydrogenase B chain | Authors: | Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S. | Deposit date: | 2016-05-17 | Release date: | 2016-06-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery. Cell, 165, 2016
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5H9A
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![BU of 5h9a by Molmil](/molmil-images/mine/5h9a) | Crystal structure of the Apo form of human cellular retinol binding protein 1 | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Retinol-binding protein 1 | Authors: | Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S. | Deposit date: | 2015-12-26 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.381 Å) | Cite: | Ligand Binding Induces Conformational Changes in Human Cellular Retinol-binding Protein 1 (CRBP1) Revealed by Atomic Resolution Crystal Structures. J.Biol.Chem., 291, 2016
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6V3R
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![BU of 6v3r by Molmil](/molmil-images/mine/6v3r) | Crystal structure of murine cycloxygenase in complex with a harmaline analog, 4,9-dihydro-3H-pyrido[3,4-b]indole | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline, ... | Authors: | Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J. | Deposit date: | 2019-11-26 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Harmaline Analogs as Substrate-Selective Cyclooxygenase-2 Inhibitors. Acs Med.Chem.Lett., 11, 2020
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8Q6S
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![BU of 8q6s by Molmil](/molmil-images/mine/8q6s) | A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Phocaeicola vulgatus ATCC 8482 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Putative acetyl xylan esterase, ... | Authors: | Mazurkewich, S, Seveso, A, Banerjee, S, Lo Leggio, L, Larsbrink, J. | Deposit date: | 2023-08-14 | Release date: | 2023-12-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Polysaccharide utilization loci from Bacteroidota encode CE15 enzymes with possible roles in cleaving pectin-lignin bonds. Appl.Environ.Microbiol., 90, 2024
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4QC9
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![BU of 4qc9 by Molmil](/molmil-images/mine/4qc9) | Crystal structure of Vaccinia virus uracil-DNA glycosylase mutant 3GD4 | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Uracil-DNA glycosylase | Authors: | Sartmatova, D, Nash, T, Schormann, N, Nuth, M, Ricciardi, R, Banerjee, S, Chattopadhyay, D. | Deposit date: | 2014-05-09 | Release date: | 2015-05-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.259 Å) | Cite: | Crystal structure of Vaccinia virus uracil-DNA glycosylase mutant 3GD4 To be Published
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4RRY
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![BU of 4rry by Molmil](/molmil-images/mine/4rry) | Crystal Structure of Apo Murine H90W Cyclooxygenase-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, Prostaglandin G/H synthase 2, ... | Authors: | Xu, S, Blobaum, A.L, Banerjee, S, Marnett, L.J. | Deposit date: | 2014-11-06 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.429 Å) | Cite: | Action at a Distance: MUTATIONS OF PERIPHERAL RESIDUES TRANSFORM RAPID REVERSIBLE INHIBITORS TO SLOW, TIGHT BINDERS OF CYCLOOXYGENASE-2. J.Biol.Chem., 290, 2015
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4RUT
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![BU of 4rut by Molmil](/molmil-images/mine/4rut) | crystal structure of murine cyclooxygenase-2 with 13-methyl-arachidonic Acid | Descriptor: | (5Z,8Z,11Z,13S,14Z)-13-methylicosa-5,8,11,14-tetraenoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xu, S, Kudalkar, S.N, Banerjee, S, Makriyannis, A, Nikas, S.P, Marnett, L.J. | Deposit date: | 2014-11-21 | Release date: | 2015-02-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | 13-methylarachidonic Acid is a positive allosteric modulator of endocannabinoid oxygenation by cyclooxygenase. J.Biol.Chem., 290, 2015
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4RRX
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![BU of 4rrx by Molmil](/molmil-images/mine/4rrx) | Crystal Structure of Apo Murine V89W Cyclooxygenase-2 Complexed with Lumiracoxib | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Prostaglandin G/H synthase 2, ... | Authors: | Xu, S, Blobaum, A.L, Banerjee, S, Marnett, L.J. | Deposit date: | 2014-11-06 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Action at a Distance: MUTATIONS OF PERIPHERAL RESIDUES TRANSFORM RAPID REVERSIBLE INHIBITORS TO SLOW, TIGHT BINDERS OF CYCLOOXYGENASE-2. J.Biol.Chem., 290, 2015
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6E5W
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![BU of 6e5w by Molmil](/molmil-images/mine/6e5w) | Crystal structure of human cellular retinol binding protein 3 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, GLYCEROL, Retinol-binding protein 5 | Authors: | Silvaroli, J.A, 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 (2.5 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
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![BU of 6e6k by Molmil](/molmil-images/mine/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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4RS0
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![BU of 4rs0 by Molmil](/molmil-images/mine/4rs0) | Crystal Structure of Murine H90W Cyclooxygenase-2 Complexed with S-ibuprofen | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IBUPROFEN, ... | Authors: | Xu, S, Blobaum, A.L, Banerjee, S, Marnett, L.J. | Deposit date: | 2014-11-06 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.807 Å) | Cite: | Action at a Distance: MUTATIONS OF PERIPHERAL RESIDUES TRANSFORM RAPID REVERSIBLE INHIBITORS TO SLOW, TIGHT BINDERS OF CYCLOOXYGENASE-2. J.Biol.Chem., 290, 2015
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