6E5L
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![BU of 6e5l by Molmil](/molmil-images/mine/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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7ZJ2
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![BU of 7zj2 by Molmil](/molmil-images/mine/7zj2) | |
8R47
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![BU of 8r47 by Molmil](/molmil-images/mine/8r47) | AL amyloid fibril from the FOR010 light chain | Descriptor: | lambda 3 immunoglobulin light chain fragment, residues 4-116 | Authors: | Pfeiffer, P.B, Banerjee, S, Schmidt, M, Faendrich, M. | Deposit date: | 2023-11-13 | Release date: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.25 Å) | Cite: | Light chain mutations contribute to defining the fibril morphology in systemic AL amyloidosis. Nat Commun, 15, 2024
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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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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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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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6E8C
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![BU of 6e8c by Molmil](/molmil-images/mine/6e8c) | Crystal structure of the double homeodomain of DUX4 in complex with DNA | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*CP*GP*C)-3'), Double homeobox protein 4 | Authors: | Lee, J.K, Bosnakovski, D, Toso, E.A, Dinh, T, Banerjee, S, Bohl, T.E, Shi, K, Kurahashi, K, Kyba, M, Aihara, H. | Deposit date: | 2018-07-27 | Release date: | 2018-12-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Crystal Structure of the Double Homeodomain of DUX4 in Complex with DNA. Cell Rep, 25, 2018
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6P7A
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![BU of 6p7a by Molmil](/molmil-images/mine/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
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![BU of 6p7b by Molmil](/molmil-images/mine/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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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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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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4YJ0
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![BU of 4yj0 by Molmil](/molmil-images/mine/4yj0) | Crystal structure of the DM domain of human DMRT1 bound to 25mer target DNA | Descriptor: | DNA (25-MER), Doublesex- and mab-3-related transcription factor 1, ZINC ION | Authors: | Murphy, M.W, Lee, J.K, Rojo, S, Gearhart, M.D, Kurahashi, K, Banerjee, S, Loeuille, G, Bashamboo, A, McElreavey, K, Zarkower, D, Aihara, H, Bardwell, V.J. | Deposit date: | 2015-03-02 | Release date: | 2015-05-27 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (3.814 Å) | Cite: | An ancient protein-DNA interaction underlying metazoan sex determination. Nat.Struct.Mol.Biol., 22, 2015
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4Z0L
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![BU of 4z0l by Molmil](/molmil-images/mine/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: | 2023-09-27 | 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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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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5A1A
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![BU of 5a1a by Molmil](/molmil-images/mine/5a1a) | 2.2 A resolution cryo-EM structure of beta-galactosidase in complex with a cell-permeant inhibitor | Descriptor: | 2-phenylethyl 1-thio-beta-D-galactopyranoside, BETA-GALACTOSIDASE, MAGNESIUM ION, ... | Authors: | Bartesaghi, A, Merk, A, Banerjee, S, Matthies, D, Wu, X, Milne, J, Subramaniam, S. | Deposit date: | 2015-04-29 | Release date: | 2015-05-06 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | 2.2 A Resolution Cryo-Em Structure of Beta-Galactosidase in Complex with a Cell-Permeant Inhibitor Science, 348, 2015
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6N47
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![BU of 6n47 by Molmil](/molmil-images/mine/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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7MC6
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![BU of 7mc6 by Molmil](/molmil-images/mine/7mc6) | Crystal structure of the SARS-CoV-2 ExoN-nsp10 complex containing Mg2+ ion | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Moeller, N.M, Shi, K, Banerjee, S, Yin, L, Aihara, H. | Deposit date: | 2021-04-01 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and dynamics of SARS-CoV-2 proofreading exoribonuclease ExoN. Proc.Natl.Acad.Sci.USA, 119, 2022
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7MC5
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![BU of 7mc5 by Molmil](/molmil-images/mine/7mc5) | Crystal structure of the SARS-CoV-2 ExoN-nsp10 complex | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, L(+)-TARTARIC ACID, ... | Authors: | Moeller, N.M, Shi, K, Banerjee, S, Yin, L, Aihara, H. | Deposit date: | 2021-04-01 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structure and dynamics of SARS-CoV-2 proofreading exoribonuclease ExoN. Proc.Natl.Acad.Sci.USA, 119, 2022
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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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