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8CSO
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BU of 8cso by Molmil
Crystal Structure of Orotidine 5'-phosphate decarboxylase from Klebsiella pneumoniae in complex with Uridine-5'-monophosphate
分子名称: 1,2-ETHANEDIOL, Orotidine 5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-05-13
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of Orotidine 5'-phosphate decarboxylase from Klebsiella pneumoniae in complex with Guanosine-5'-monophosphate
to be published
7PTJ
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BU of 7ptj by Molmil
C54S mutant of choline-sulfatase from E. meliloti CECT4857 bound to HEPES
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Choline sulfatase, ...
著者Gavira, J.A, Martinez-Rodriguez, S.
登録日2021-09-27
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into choline-O-sulfatase reveal the molecular determinants for ligand binding.
Acta Crystallogr D Struct Biol, 78, 2022
6ED6
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BU of 6ed6 by Molmil
Crystal structure of Rock2 with a pyridinylbenzamide based inhibitor
分子名称: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, Rho-associated protein kinase 2
著者Judge, R.A, Hobson, A.D.
登録日2018-08-08
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
6YNX
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BU of 6ynx by Molmil
Cryo-EM structure of Tetrahymena thermophila mitochondrial ATP synthase - Fo-subcomplex
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Kock Flygaard, R, Muhleip, A, Amunts, A.
登録日2020-04-14
公開日2020-09-30
最終更新日2025-10-01
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Type III ATP synthase is a symmetry-deviated dimer that induces membrane curvature through tetramerization.
Nat Commun, 11, 2020
7PX2
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BU of 7px2 by Molmil
Conotoxin Mu8.1 from Conus mucronatus
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Conotoxin Mu8.1
著者Mueller, E, Hackney, C, Ellgaard, L, Morth, J.P.
登録日2021-10-07
公開日2022-11-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献A previously unrecognized superfamily of macro-conotoxins includes an inhibitor of the sensory neuron calcium channel Cav2.3.
Plos Biol., 21, 2023
8CU0
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BU of 8cu0 by Molmil
12-mer DNA structure of ExBIM bound to RNaseH -modified DDD
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*GP*GP*CP*AP*TP*GP*(OWR)P*CP*CP*G)-3'), GLYCEROL, ...
著者Pallan, P.S, Egli, M.
登録日2022-05-16
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Conformation and Pairing Properties of an O 6 -Methyl-2'-deoxyguanosine-Directed Benzimidazole Nucleoside Analog in Duplex DNA.
Chem.Res.Toxicol., 35, 2022
8CTY
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BU of 8cty by Molmil
12-mer DNA structure of ExBIM bound to RNase-H
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Pallan, P.S, Egli, M.
登録日2022-05-16
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conformation and Pairing Properties of an O 6 -Methyl-2'-deoxyguanosine-Directed Benzimidazole Nucleoside Analog in Duplex DNA.
Chem.Res.Toxicol., 35, 2022
5GQI
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BU of 5gqi by Molmil
Crystal structure of Cypovirus Polyhedra mutant with deletion of Ala194
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
著者Abe, S, Tabe, H, Ijiri, H, Yamashita, K, Hirata, K, Mori, H, Ueno, T.
登録日2016-08-07
公開日2017-02-15
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Engineering of Self-Assembled Porous Protein Materials in Living Cells
ACS Nano, 11, 2017
6HXF
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BU of 6hxf by Molmil
Human STK10 bound to a maleimide inhibitor
分子名称: 1,2-ETHANEDIOL, 3-(2-methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione, CHLORIDE ION, ...
著者Sorrell, F.J, Salah, E, Serafim, R.A.M, Savitsky, P.A, Krojer, T, Bailey, H.J, Pinkas, D, Burgess-Brown, N.A, von Delft, F, Knapp, S, Arrowsmith, C, Bountra, C, Edwards, A.M, Elkins, J.M.
登録日2018-10-17
公開日2018-10-31
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Human STK10 bound to a maleimide inhibitor
To Be Published
9I7F
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BU of 9i7f by Molmil
Crystal structure of HRP-2 PWWP domain with C64S mutation - Crystal form P21 type 1
分子名称: 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2
著者Vantieghem, T, Osipov, E.M, Strelkov, S.V.
登録日2025-01-31
公開日2025-08-13
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Crystal engineering of the hepatoma-derived growth factor-related protein 2 PWWP domain towards crystallographic fragment screening.
Acta Crystallogr.,Sect.F, 81, 2025
8CVY
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BU of 8cvy by Molmil
Human glycogenin-1 and glycogen synthase-1 complex in the apo mobile state
分子名称: Glycogen [starch] synthase, muscle, Glycogenin-1
著者Liu, Y, Fastman, N.M, Tzitzilonis, C.
登録日2022-05-18
公開日2022-07-13
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献The structural mechanism of human glycogen synthesis by the GYS1-GYG1 complex.
Cell Rep, 40, 2022
5GYA
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BU of 5gya by Molmil
Crystal structure of ENZbleach xylanase V5N+V6N+K7R+K223R+K227R mutant
分子名称: Endo-1,4-beta-xylanase
著者Chitnumsub, P, Jaruwat, A, Boonyapakorn, K.
登録日2016-09-22
公開日2017-08-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure-based protein engineering for thermostable and alkaliphilic enhancement of endo-beta-1,4-xylanase for applications in pulp bleaching
J. Biotechnol., 259, 2017
9EPW
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BU of 9epw by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3336
分子名称: Casein kinase II subunit alpha, SULFATE ION, ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]ethanamine
著者Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2024-03-20
公開日2024-05-01
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
6Q8C
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BU of 6q8c by Molmil
Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with 5'-O-(N-(L-Leucyl)-Sulfamoyl)Uridine
分子名称: 1,2-ETHANEDIOL, 5'-O-(N-(L-Leucyl)-Sulfamoyl)Uridine, Leucine--tRNA ligase, ...
著者Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
登録日2018-12-14
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Comparative analysis of pyrimidine substituted aminoacyl-sulfamoyl nucleosides as potential inhibitors targeting class I aminoacyl-tRNA synthetases.
Eur.J.Med.Chem., 173, 2019
7MFC
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BU of 7mfc by Molmil
Crystal structure of CSF1R in complex with vimseltinib
分子名称: Macrophage colony-stimulating factor 1 receptor, Vimseltinib
著者Abendroth, J, Davies, D.R, Atkins, K.
登録日2021-04-08
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Vimseltinib: A Precision CSF1R Therapy for Tenosynovial Giant Cell Tumors and Diseases Promoted by Macrophages.
Mol.Cancer Ther., 20, 2021
5N6B
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BU of 5n6b by Molmil
Human Leukocyte Antigen Class I A02 Carrying LLWNPGMAV
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, ...
著者Rizkallah, P.J, Cole, D.K, Fuller, A, Bulek, A.M, Bovay, A.
登録日2017-02-14
公開日2017-10-18
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献T cell receptor alpha variable 12-2 bias in the immunodominant response to Yellow fever virus.
Eur. J. Immunol., 48, 2018
8JJF
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BU of 8jjf by Molmil
Crystal structure of QE-hNTAQ1 C28S
分子名称: Protein N-terminal glutamine amidohydrolase
著者Kang, J.M, Han, B.W.
登録日2023-05-30
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Structural study for substrate recognition of human N-terminal glutamine amidohydrolase 1 in the arginine N-degron pathway.
Protein Sci., 33, 2024
9H4U
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BU of 9h4u by Molmil
Deacetylase FI8 utilizes unconventional variant of a catalytic triad: the diluted triad
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Carbohydrate esterase FI8, ...
著者Palm, G.J, Lammers, M.
登録日2024-10-21
公開日2025-08-27
最終更新日2025-09-03
実験手法X-RAY DIFFRACTION (1.541 Å)
主引用文献Insights into a water-mediated catalytic triad architecture in CE20 carbohydrate esterases.
Nat Commun, 16, 2025
9H5B
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BU of 9h5b by Molmil
Tail fibre of Haloferax tailed virus 1
分子名称: Baseplate hub, MAGNESIUM ION, Tail fiber protein of Haloferax tailed virus 1 gp42, ...
著者Zhang, D, Daum, B, Isupov, M.N, McLaren, M.
登録日2024-10-22
公開日2025-08-27
最終更新日2025-10-22
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM resolves the structure of the archaeal dsDNA virus HFTV1 from head to tail.
Sci Adv, 11, 2025
8JQ1
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BU of 8jq1 by Molmil
Solution NMR Structure of zinc fingers 1-2 (fragment 257-320) from human insulinoma-associated protein 1(INSM1)
分子名称: Insulinoma-associated protein 1, ZINC ION
著者He, X.L, Yang, Y.H.
登録日2023-06-13
公開日2024-06-19
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of zinc fingers 1-2 (fragment 257-320) from human insulinoma-associated protein 1(INSM1)
To Be Published
6O98
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BU of 6o98 by Molmil
Crystal structure of RAR-related orphan receptor C in complex with a phenyl (3-phenylpyrrolidin-3-yl)sulfone inhibitor
分子名称: 1-(4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrrolidine-1-carbonyl}piperazin-1-yl)ethan-1-one, Nuclear receptor ROR-gamma
著者Sack, J.S.
登録日2019-03-13
公開日2019-03-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active ROR gamma t Inverse Agonists.
ACS Med Chem Lett, 10, 2019
9H1G
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BU of 9h1g by Molmil
Structure of the borna disease virus 1 replication complex
分子名称: Phosphoprotein, RNA-directed RNA polymerase L, ZINC ION
著者Keown, J.R, Carrique, L, Grimes, J.M.
登録日2024-10-09
公開日2025-08-20
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Structure of the borna disease virus 1 replication complex
To Be Published
9H1Y
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BU of 9h1y by Molmil
Structure of the borna disease virus 1 replication full-length complex - reaction complex
分子名称: Phosphoprotein, RNA-directed RNA polymerase L, ZINC ION
著者Keown, J.R, Carrique, L, Grimes, J.M.
登録日2024-10-10
公開日2025-08-20
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Structure of the borna disease virus 1 replication full-length complex - reaction complex
To Be Published
7Q9N
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BU of 7q9n by Molmil
Transthyretin complexed with (E)-4-(2-(naphthalen-2-yl)vinyl)benzene-1,2-diol
分子名称: 4-[(~{E})-2-naphthalen-2-ylethenyl]benzene-1,2-diol, Transthyretin
著者Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A.
登録日2021-11-12
公開日2022-11-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
8XLZ
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BU of 8xlz by Molmil
beta-1,4-galacosyltransferase
分子名称: Glycosyltransferase family 25 protein, MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE
著者Luo, G, Huang, Z, Chen, J, Hou, X, Zhu, Y, Ni, D, Xu, W, Zhang, W, Rao, Y, Mu, W.
登録日2023-12-26
公開日2024-12-11
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystal structure and structure-guided tunnel engineering in a bacterial beta-1,4-galactosyltransferase.
Int.J.Biol.Macromol., 279, 2024

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