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5H8N
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BU of 5h8n by Molmil
Structure of the human GluN1/GluN2A LBD in complex with NAM
分子名称: 4-[[(4-fluorophenyl)sulfonylamino]methyl]-~{N}-(pyridin-3-ylmethyl)benzamide, CALCIUM ION, GLUTAMIC ACID, ...
著者Wallweber, H.J.A, Lupardus, P.J.
登録日2015-12-23
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Positive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function.
Neuron, 89, 2016
7CQW
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BU of 7cqw by Molmil
GmaS/ADP complex-Conformation 1
分子名称: ADENOSINE-5'-DIPHOSPHATE, Type III glutamate--ammonia ligase
著者Li, C.Y, Zhang, Y.Z.
登録日2020-08-11
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.297 Å)
主引用文献Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
J.Biol.Chem., 296, 2020
3HKS
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BU of 3hks by Molmil
Crystal structure of eukaryotic translation initiation factor eIF-5A2 from Arabidopsis thaliana
分子名称: 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 5A-2
著者Teng, Y.B, He, Y.X, Jiang, Y.L, Chen, Y.X, Zhou, C.Z.
登録日2009-05-25
公開日2009-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of Arabidopsis translation initiation factor eIF-5A2
Proteins, 77, 2009
5HU4
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BU of 5hu4 by Molmil
Cystal structure of listeria monocytogenes sortase A
分子名称: Cysteine protease
著者Li, H.
登録日2016-01-27
公開日2017-02-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Inhibition of sortase A by chalcone prevents Listeria monocytogenes infection.
Biochem. Pharmacol., 106, 2016
7CM9
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BU of 7cm9 by Molmil
DMSP lyase DddX
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DMSP lyase, SULFATE ION
著者Li, C.Y, Zhang, Y.Z.
登録日2020-07-25
公開日2021-05-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.249 Å)
主引用文献A novel ATP dependent dimethylsulfoniopropionate lyase in bacteria that releases dimethyl sulfide and acryloyl-CoA.
Elife, 10, 2021
5HCZ
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BU of 5hcz by Molmil
EGFR kinase domain mutant "TMLR" with 3-azetidinyl azaindazole compound 21
分子名称: 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
著者Eigenbrot, C, Yu, C.
登録日2016-01-04
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Discovery of a Noncovalent, Mutant-Selective Epidermal Growth Factor Receptor Inhibitor.
J.Med.Chem., 59, 2016
6UFI
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BU of 6ufi by Molmil
W96Y Oxalate Decarboxylase (Bacillus subtilis)
分子名称: CHLORIDE ION, Cupin domain-containing protein, GLYCEROL, ...
著者Pastore, A.J, Burg, M.J, Twahir, U.T, Bruner, S.D, Angerhofer, A.
登録日2019-09-24
公開日2020-09-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Oxalate decarboxylase uses electron hole hopping for catalysis.
J.Biol.Chem., 297, 2021
5VXQ
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BU of 5vxq by Molmil
X-Ray crystallography structure of the parallel stranded duplex formed by 5-rA5-dA-rA5
分子名称: AMMONIUM ION, DNA/RNA (5'-R(*AP*AP*AP*AP*A)-D(P*A)-R(P*AP*AP*AP*AP*A)-3')
著者Xie, J, Chen, Y, Wei, X, Kozlov, G, Gehring, K.
登録日2017-05-23
公開日2017-08-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.002 Å)
主引用文献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
6LI1
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BU of 6li1 by Molmil
Crystal structure of GPR52 ligand free form with flavodoxin fusion
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera of G-protein coupled receptor 52 and Flavodoxin, DI(HYDROXYETHYL)ETHER, ...
著者Luo, Z.P, Lin, X, Xu, F, Han, G.W.
登録日2019-12-10
公開日2020-02-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of ligand recognition and self-activation of orphan GPR52.
Nature, 579, 2020
7D4N
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BU of 7d4n by Molmil
Crystal structure of Tmm from strain HTCC7211 soaked with DMS for 20 min
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase FMO, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, C.Y, Zhang, Y.Z.
登録日2020-09-24
公開日2021-09-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Structural and Mechanistic Insights Into Dimethylsulfoxide Formation Through Dimethylsulfide Oxidation.
Front Microbiol, 12, 2021
7D4M
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BU of 7d4m by Molmil
Crystal structure of Tmm from strain HTCC7211 soaked with DMS for 5 min
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase FMO, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, C.Y, Zhang, Y.Z.
登録日2020-09-24
公開日2021-09-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.786 Å)
主引用文献Structural and Mechanistic Insights Into Dimethylsulfoxide Formation Through Dimethylsulfide Oxidation.
Front Microbiol, 12, 2021
7D4K
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BU of 7d4k by Molmil
Crystal structure of Tmm from Pelagibacter sp. strain HTCC7211
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase FMO, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, C.Y, Zhang, Y.Z.
登録日2020-09-24
公開日2021-09-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Mechanistic Insights Into Dimethylsulfoxide Formation Through Dimethylsulfide Oxidation.
Front Microbiol, 12, 2021
6KUJ
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BU of 6kuj by Molmil
Structure of influenza D virus polymerase bound to cRNA promoter in class 1
分子名称: 3'-cRNA promoter, 5'-cRNA promoter, Polymerase 3, ...
著者Peng, Q, Peng, R, Qi, J, Gao, G.F, Shi, Y.
登録日2019-09-02
公開日2019-10-02
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure of influenza D virus polymerase bound to cRNA promoter in Mode A conformation
NAT NANOTECHNOL, 2019
6LI3
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BU of 6li3 by Molmil
cryo-EM structure of GPR52-miniGs-NB35
分子名称: 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, ...
著者Li, M, Wang, N, Xu, F, Wu, J, Lei, M.
登録日2019-12-10
公開日2020-02-26
最終更新日2020-03-18
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Structural basis of ligand recognition and self-activation of orphan GPR52.
Nature, 579, 2020
6LI0
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BU of 6li0 by Molmil
Crystal structure of GPR52 in complex with agonist c17
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CITRATE ANION, Chimera of G-protein coupled receptor 52 and Flavodoxin, ...
著者Luo, Z.P, Lin, X, Xu, F, Han, G.W.
登録日2019-12-10
公開日2020-02-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis of ligand recognition and self-activation of orphan GPR52.
Nature, 579, 2020
5HCX
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BU of 5hcx by Molmil
EGFR kinase domain mutant "TMLR" with azabenzimidazole compound 7
分子名称: 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
著者Eigenbrot, C, Yu, C.
登録日2016-01-04
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of a Noncovalent, Mutant-Selective Epidermal Growth Factor Receptor Inhibitor.
J.Med.Chem., 59, 2016
6LI2
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BU of 6li2 by Molmil
Crystal structure of GPR52 ligand free form with rubredoxin fusion
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera of G-protein coupled receptor 52 and Rubredoxin, DI(HYDROXYETHYL)ETHER, ...
著者Luo, Z.P, Lin, X, Xu, F, Han, G.W.
登録日2019-12-10
公開日2020-02-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of ligand recognition and self-activation of orphan GPR52.
Nature, 579, 2020
5H8Q
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BU of 5h8q by Molmil
Structure of the human GluN1/GluN2A LBD in complex with GNE8324
分子名称: 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, ...
著者Wallweber, H.J.A, Lupardus, P.J.
登録日2015-12-23
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Positive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function.
Neuron, 89, 2016
7BZV
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BU of 7bzv by Molmil
Crystal structure of 2-aminomuconic 6-semialdehyde dehydrogenase from Pseudomonas species AP-3
分子名称: 2-aminomuconic 6-semialdehyde dehydrogenase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Shi, Q.L, Chen, Y.J, Su, D.
登録日2020-04-28
公開日2021-04-28
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.988 Å)
主引用文献The tetrameric assembly of 2-aminomuconic 6-semialdehyde dehydrogenase is a functional requirement of cofactor NAD + binding.
Environ.Microbiol., 2021
6NP0
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BU of 6np0 by Molmil
Cryo-EM structure of 5HT3A receptor in presence of granisetron
分子名称: 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, ...
著者Basak, S, Chakrapani, S.
登録日2019-01-17
公開日2019-07-24
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Molecular mechanism of setron-mediated inhibition of full-length 5-HT3Areceptor.
Nat Commun, 10, 2019
5HCY
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BU of 5hcy by Molmil
EGFR kinase domain mutant "TMLR" with 3-carboxamide azaindole compound 13
分子名称: 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
著者Eigenbrot, C, Yu, C.
登録日2016-01-04
公開日2016-09-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Discovery of a Noncovalent, Mutant-Selective Epidermal Growth Factor Receptor Inhibitor.
J.Med.Chem., 59, 2016
6TZP
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BU of 6tzp by Molmil
W96F Oxalate Decarboxylase (B. subtilis)
分子名称: MANGANESE (II) ION, Oxalate decarboxylase
著者Pastore, A.J, Burg, M.J, Twahir, U.T, Bruner, S.D, Angerhofer, A.
登録日2019-08-12
公開日2021-02-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Oxalate decarboxylase uses electron hole hopping for catalysis.
J.Biol.Chem., 297, 2021
5H8H
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BU of 5h8h by Molmil
Structure of the human GluN1/GluN2A LBD in complex with GNE3419
分子名称: 7-[[ethyl(phenyl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one, ACETATE ION, CALCIUM ION, ...
著者Wallweber, H.J.A, Lupardus, P.J.
登録日2015-12-23
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Positive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function.
Neuron, 89, 2016
5H8F
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BU of 5h8f by Molmil
Structure of the apo human GluN1/GluN2A LBD
分子名称: GLUTAMIC ACID, GLYCEROL, GLYCINE, ...
著者Wallweber, H.J.A, Lupardus, P.J.
登録日2015-12-23
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Positive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function.
Neuron, 89, 2016
5H8S
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BU of 5h8s by Molmil
Structure of the human GluA2 LBD in complex with GNE3419
分子名称: 7-[[ethyl(phenyl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one, CACODYLATE ION, GLUTAMIC ACID, ...
著者Wallweber, H.J.A, Lupardus, P.J.
登録日2015-12-23
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.703 Å)
主引用文献Positive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function.
Neuron, 89, 2016

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件を2024-08-07に公開中

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