5H8N
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![BU of 5h8n by Molmil](/molmil-images/mine/5h8n) | Structure of the human GluN1/GluN2A LBD in complex with NAM | Descriptor: | 4-[[(4-fluorophenyl)sulfonylamino]methyl]-~{N}-(pyridin-3-ylmethyl)benzamide, CALCIUM ION, GLUTAMIC ACID, ... | Authors: | Wallweber, H.J.A, Lupardus, P.J. | Deposit date: | 2015-12-23 | Release date: | 2016-02-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Positive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function. Neuron, 89, 2016
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7CQW
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![BU of 7cqw by Molmil](/molmil-images/mine/7cqw) | GmaS/ADP complex-Conformation 1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Type III glutamate--ammonia ligase | Authors: | Li, C.Y, Zhang, Y.Z. | Deposit date: | 2020-08-11 | Release date: | 2020-11-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.297 Å) | Cite: | Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine. J.Biol.Chem., 296, 2020
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3HKS
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![BU of 3hks by Molmil](/molmil-images/mine/3hks) | Crystal structure of eukaryotic translation initiation factor eIF-5A2 from Arabidopsis thaliana | Descriptor: | 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 5A-2 | Authors: | Teng, Y.B, He, Y.X, Jiang, Y.L, Chen, Y.X, Zhou, C.Z. | Deposit date: | 2009-05-25 | Release date: | 2009-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of Arabidopsis translation initiation factor eIF-5A2 Proteins, 77, 2009
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5HU4
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![BU of 5hu4 by Molmil](/molmil-images/mine/5hu4) | Cystal structure of listeria monocytogenes sortase A | Descriptor: | Cysteine protease | Authors: | Li, H. | Deposit date: | 2016-01-27 | Release date: | 2017-02-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Inhibition of sortase A by chalcone prevents Listeria monocytogenes infection. Biochem. Pharmacol., 106, 2016
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7CM9
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![BU of 7cm9 by Molmil](/molmil-images/mine/7cm9) | DMSP lyase DddX | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DMSP lyase, SULFATE ION | Authors: | Li, C.Y, Zhang, Y.Z. | Deposit date: | 2020-07-25 | Release date: | 2021-05-19 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.249 Å) | Cite: | A novel ATP dependent dimethylsulfoniopropionate lyase in bacteria that releases dimethyl sulfide and acryloyl-CoA. Elife, 10, 2021
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5HCZ
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![BU of 5hcz by Molmil](/molmil-images/mine/5hcz) | EGFR kinase domain mutant "TMLR" with 3-azetidinyl azaindazole compound 21 | Descriptor: | 2-[1-[1-[(2~{S})-butan-2-yl]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]azetidin-3-yl]propan-2-ol, Epidermal growth factor receptor, SULFATE ION | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2016-01-04 | Release date: | 2016-09-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Discovery of a Noncovalent, Mutant-Selective Epidermal Growth Factor Receptor Inhibitor. J.Med.Chem., 59, 2016
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6UFI
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![BU of 6ufi by Molmil](/molmil-images/mine/6ufi) | W96Y Oxalate Decarboxylase (Bacillus subtilis) | Descriptor: | CHLORIDE ION, Cupin domain-containing protein, GLYCEROL, ... | Authors: | Pastore, A.J, Burg, M.J, Twahir, U.T, Bruner, S.D, Angerhofer, A. | Deposit date: | 2019-09-24 | Release date: | 2020-09-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Oxalate decarboxylase uses electron hole hopping for catalysis. J.Biol.Chem., 297, 2021
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5VXQ
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![BU of 5vxq by Molmil](/molmil-images/mine/5vxq) | X-Ray crystallography structure of the parallel stranded duplex formed by 5-rA5-dA-rA5 | Descriptor: | AMMONIUM ION, DNA/RNA (5'-R(*AP*AP*AP*AP*A)-D(P*A)-R(P*AP*AP*AP*AP*A)-3') | Authors: | Xie, J, Chen, Y, Wei, X, Kozlov, G, Gehring, K. | Deposit date: | 2017-05-23 | Release date: | 2017-08-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.002 Å) | Cite: | Influence of nucleotide modifications at the C2' position on the Hoogsteen base-paired parallel-stranded duplex of poly(A) RNA. Nucleic Acids Res., 45, 2017
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6LI1
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![BU of 6li1 by Molmil](/molmil-images/mine/6li1) | Crystal structure of GPR52 ligand free form with flavodoxin fusion | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera of G-protein coupled receptor 52 and Flavodoxin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Luo, Z.P, Lin, X, Xu, F, Han, G.W. | Deposit date: | 2019-12-10 | Release date: | 2020-02-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of ligand recognition and self-activation of orphan GPR52. Nature, 579, 2020
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7D4N
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![BU of 7d4n by Molmil](/molmil-images/mine/7d4n) | Crystal structure of Tmm from strain HTCC7211 soaked with DMS for 20 min | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase FMO, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, C.Y, Zhang, Y.Z. | Deposit date: | 2020-09-24 | Release date: | 2021-09-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Structural and Mechanistic Insights Into Dimethylsulfoxide Formation Through Dimethylsulfide Oxidation. Front Microbiol, 12, 2021
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7D4M
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![BU of 7d4m by Molmil](/molmil-images/mine/7d4m) | Crystal structure of Tmm from strain HTCC7211 soaked with DMS for 5 min | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase FMO, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, C.Y, Zhang, Y.Z. | Deposit date: | 2020-09-24 | Release date: | 2021-09-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.786 Å) | Cite: | Structural and Mechanistic Insights Into Dimethylsulfoxide Formation Through Dimethylsulfide Oxidation. Front Microbiol, 12, 2021
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7D4K
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![BU of 7d4k by Molmil](/molmil-images/mine/7d4k) | Crystal structure of Tmm from Pelagibacter sp. strain HTCC7211 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase FMO, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, C.Y, Zhang, Y.Z. | Deposit date: | 2020-09-24 | Release date: | 2021-09-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Mechanistic Insights Into Dimethylsulfoxide Formation Through Dimethylsulfide Oxidation. Front Microbiol, 12, 2021
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6KUJ
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![BU of 6kuj by Molmil](/molmil-images/mine/6kuj) | Structure of influenza D virus polymerase bound to cRNA promoter in class 1 | Descriptor: | 3'-cRNA promoter, 5'-cRNA promoter, Polymerase 3, ... | Authors: | Peng, Q, Peng, R, Qi, J, Gao, G.F, Shi, Y. | Deposit date: | 2019-09-02 | Release date: | 2019-10-02 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of influenza D virus polymerase bound to cRNA promoter in Mode A conformation NAT NANOTECHNOL, 2019
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6LI3
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![BU of 6li3 by Molmil](/molmil-images/mine/6li3) | cryo-EM structure of GPR52-miniGs-NB35 | Descriptor: | G-protein coupled receptor 52, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Li, M, Wang, N, Xu, F, Wu, J, Lei, M. | Deposit date: | 2019-12-10 | Release date: | 2020-02-26 | Last modified: | 2020-03-18 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | Structural basis of ligand recognition and self-activation of orphan GPR52. Nature, 579, 2020
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6LI0
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![BU of 6li0 by Molmil](/molmil-images/mine/6li0) | Crystal structure of GPR52 in complex with agonist c17 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CITRATE ANION, Chimera of G-protein coupled receptor 52 and Flavodoxin, ... | Authors: | Luo, Z.P, Lin, X, Xu, F, Han, G.W. | Deposit date: | 2019-12-10 | Release date: | 2020-02-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of ligand recognition and self-activation of orphan GPR52. Nature, 579, 2020
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5HCX
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![BU of 5hcx by Molmil](/molmil-images/mine/5hcx) | EGFR kinase domain mutant "TMLR" with azabenzimidazole compound 7 | Descriptor: | Epidermal growth factor receptor, SULFATE ION, ~{N}-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2016-01-04 | Release date: | 2016-09-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of a Noncovalent, Mutant-Selective Epidermal Growth Factor Receptor Inhibitor. J.Med.Chem., 59, 2016
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6LI2
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![BU of 6li2 by Molmil](/molmil-images/mine/6li2) | Crystal structure of GPR52 ligand free form with rubredoxin fusion | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera of G-protein coupled receptor 52 and Rubredoxin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Luo, Z.P, Lin, X, Xu, F, Han, G.W. | Deposit date: | 2019-12-10 | Release date: | 2020-02-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of ligand recognition and self-activation of orphan GPR52. Nature, 579, 2020
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5H8Q
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![BU of 5h8q by Molmil](/molmil-images/mine/5h8q) | Structure of the human GluN1/GluN2A LBD in complex with GNE8324 | Descriptor: | 6-[[ethyl-(4-fluorophenyl)amino]methyl]-2,3-dihydro-1~{H}-cyclopenta[3,4][1,3]thiazolo[1,4-~{a}]pyrimidin-8-one, ACETATE ION, GLUTAMIC ACID, ... | Authors: | Wallweber, H.J.A, Lupardus, P.J. | Deposit date: | 2015-12-23 | Release date: | 2016-02-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Positive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function. Neuron, 89, 2016
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7BZV
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![BU of 7bzv by Molmil](/molmil-images/mine/7bzv) | |
6NP0
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![BU of 6np0 by Molmil](/molmil-images/mine/6np0) | Cryo-EM structure of 5HT3A receptor in presence of granisetron | Descriptor: | 1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Basak, S, Chakrapani, S. | Deposit date: | 2019-01-17 | Release date: | 2019-07-24 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Molecular mechanism of setron-mediated inhibition of full-length 5-HT3Areceptor. Nat Commun, 10, 2019
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5HCY
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![BU of 5hcy by Molmil](/molmil-images/mine/5hcy) | EGFR kinase domain mutant "TMLR" with 3-carboxamide azaindole compound 13 | Descriptor: | 6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-~{N}-(oxan-4-yl)-1-propan-2-yl-pyrrolo[3,2-c]pyridine-3-carboxamide, Epidermal growth factor receptor, SULFATE ION | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2016-01-04 | Release date: | 2016-09-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Discovery of a Noncovalent, Mutant-Selective Epidermal Growth Factor Receptor Inhibitor. J.Med.Chem., 59, 2016
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6TZP
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![BU of 6tzp by Molmil](/molmil-images/mine/6tzp) | W96F Oxalate Decarboxylase (B. subtilis) | Descriptor: | MANGANESE (II) ION, Oxalate decarboxylase | Authors: | Pastore, A.J, Burg, M.J, Twahir, U.T, Bruner, S.D, Angerhofer, A. | Deposit date: | 2019-08-12 | Release date: | 2021-02-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Oxalate decarboxylase uses electron hole hopping for catalysis. J.Biol.Chem., 297, 2021
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5H8H
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![BU of 5h8h by Molmil](/molmil-images/mine/5h8h) | Structure of the human GluN1/GluN2A LBD in complex with GNE3419 | Descriptor: | 7-[[ethyl(phenyl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one, ACETATE ION, CALCIUM ION, ... | Authors: | Wallweber, H.J.A, Lupardus, P.J. | Deposit date: | 2015-12-23 | Release date: | 2016-02-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Positive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function. Neuron, 89, 2016
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5H8F
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![BU of 5h8f by Molmil](/molmil-images/mine/5h8f) | Structure of the apo human GluN1/GluN2A LBD | Descriptor: | GLUTAMIC ACID, GLYCEROL, GLYCINE, ... | Authors: | Wallweber, H.J.A, Lupardus, P.J. | Deposit date: | 2015-12-23 | Release date: | 2016-02-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Positive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function. Neuron, 89, 2016
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5H8S
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![BU of 5h8s by Molmil](/molmil-images/mine/5h8s) | Structure of the human GluA2 LBD in complex with GNE3419 | Descriptor: | 7-[[ethyl(phenyl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one, CACODYLATE ION, GLUTAMIC ACID, ... | Authors: | Wallweber, H.J.A, Lupardus, P.J. | Deposit date: | 2015-12-23 | Release date: | 2016-02-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.703 Å) | Cite: | Positive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function. Neuron, 89, 2016
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