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7RG9
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BU of 7rg9 by Molmil
cryo-EM of human Glucagon-like peptide 1 receptor GLP-1R in apo form
分子名称: Glucagon-like peptide 1 receptor, 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Sun, B, Kobilka, B.K, Sloop, K.W, Feng, D, Kobilka, T.S.
登録日2021-07-14
公開日2022-04-13
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural determinants of dual incretin receptor agonism by tirzepatide.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DD5
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BU of 8dd5 by Molmil
Crystal structure of KAT6A in complex with inhibitor CTx-648 (PF-9363)
分子名称: 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide, Histone acetyltransferase KAT6A, ZINC ION
著者Greasley, S.E, Johnson, E, Brodsky, O.
登録日2022-06-17
公開日2023-07-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Targeting KAT6A/KAT6B dependencies in breast cancer with a novel selective, orally bioavailable KAT6 inhibitor, CTx-648/PF-9363
To Be Published
6EUD
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BU of 6eud by Molmil
Crystal structure of E. coli DExH-box NTPase HrpB
分子名称: 1,2-ETHANEDIOL, ATP-dependent RNA helicase HrpB
著者Pietrzyk-Brzezinska, A.J, Wahl, M.C.
登録日2017-10-30
公開日2018-09-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the Escherichia coli DExH-Box NTPase HrpB.
Structure, 26, 2018
7Q3N
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BU of 7q3n by Molmil
Cryo-EM of the complex between human uromodulin (UMOD)/Tamm-Horsfall protein (THP) and the FimH lectin domain from uropathogenic E. coli
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Type 1 fimbiral adhesin FimH, ...
著者Jovine, L, Xu, C, Stsiapanava, A, Carroni, M, Tunyasuvunakool, K, Jumper, J, Wu, B.
登録日2021-10-28
公開日2022-03-16
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (7.4 Å)
主引用文献Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
8R3O
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BU of 8r3o by Molmil
Transketolase from Haemophilus influenzae in complex with thiamin pyrophosphate
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, MAGNESIUM ION, ...
著者Ballut, L, Georges, R.N, Aghajari, N, Hecquet, L, Charmantray, F, Doumeche, B.
登録日2023-11-10
公開日2024-05-22
最終更新日2024-12-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biochemical, Bioinformatic, and Structural Comparisons of Transketolases and Position of Human Transketolase in the Enzyme Evolution.
Biochemistry, 63, 2024
6P0W
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BU of 6p0w by Molmil
LsfA from P. aeruginosa, a 1-Cys Prx in reduced form
分子名称: CHLORIDE ION, Putative thiol-specific antioxidant protein
著者AIeixo-Silva, R.L, Domingos, R.M, Netto, L.E.S.
登録日2019-05-17
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of LsfA, a 1-Cys Prx in reduced form
To Be Published
6GX2
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BU of 6gx2 by Molmil
Blood group synthase AAGlyB in complex with UDP-GalNAc and cryoprotected with glycerol
分子名称: 1,2-ETHANEDIOL, ABO blood group (transferase A, alpha 1-3-N-acetylgalactosaminyltransferase transferase B, ...
著者Rocha, J, Royant, A.
登録日2018-06-26
公開日2019-07-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Blood group synthase AAGlyB in complex with UDP-GalNAc and cryoprotected with glycerol
To be published
7R0M
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BU of 7r0m by Molmil
KRasG12C in complex with GDP and JDQ443
分子名称: 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Ostermann, N.
登録日2022-02-02
公開日2022-04-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.611 Å)
主引用文献Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
6EY4
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BU of 6ey4 by Molmil
Periplasmic domain (residues 36-513) of GldM
分子名称: 1,2-ETHANEDIOL, GldM
著者Leone, P, Roche, J, Cambillau, C, Roussel, A.
登録日2017-11-10
公開日2018-02-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Type IX secretion system PorM and gliding machinery GldM form arches spanning the periplasmic space.
Nat Commun, 9, 2018
7NO7
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BU of 7no7 by Molmil
Structure of the mature RSV CA lattice: Group I, pentamer-hexamer interface, class 1"2
分子名称: Capsid protein p27, alternate cleaved 1
著者Obr, M, Ricana, C.L, Nikulin, N, Feathers, J.-P.R, Klanschnig, M, Thader, A, Johnson, M.C, Vogt, V.M, Schur, F.K.M, Dick, R.A.
登録日2021-02-25
公開日2021-04-21
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (7.5 Å)
主引用文献Structure of the mature Rous sarcoma virus lattice reveals a role for IP6 in the formation of the capsid hexamer.
Nat Commun, 12, 2021
6TTM
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BU of 6ttm by Molmil
Hyoscyamine 6-hydroxylase in complex with N-oxalylglycine and hyoscyamine
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Hyoscyamine 6 beta-hydroxylase, ...
著者Kluza, A, Kurpiewska, K, Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T.
登録日2019-12-29
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations.
Dalton Trans, 49, 2020
8X6L
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BU of 8x6l by Molmil
PRMT5:MEP50 WITH SCR-6920 AND SAM
分子名称: 1-ethyl-8-[(2-methoxy-7-azaspiro[3.5]nonan-7-yl)carbonyl]-4-[2-oxidanylidene-2-[(3~{S})-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2,3-dihydro-1,4-benzodiazepin-5-one, GLYCEROL, Methylosome protein WDR77, ...
著者Zhou, F, Zhou, F.
登録日2023-11-21
公開日2025-02-26
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献PRMT5:MEP50 WITH SCR-6920 AND SAM
To Be Published
3FH5
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BU of 3fh5 by Molmil
Leukotriene A4 Hydrolase complexed with inhibitor (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine.
分子名称: (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine, ACETATE ION, GLYCEROL, ...
著者Mamat, B, Davies, D.R.
登録日2008-12-08
公開日2010-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
6WH4
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BU of 6wh4 by Molmil
Crystal structure of HTR2A with inverse agonist
分子名称: 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562 fusion, CHOLESTEROL, ...
著者Kim, K.L, Che, T, Krumm, B.E, Roth, B.L.
登録日2020-04-07
公開日2020-09-23
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure of a Hallucinogen-Activated Gq-Coupled 5-HT 2A Serotonin Receptor
Cell(Cambridge,Mass.), 182, 2020
9BB9
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BU of 9bb9 by Molmil
Structure of S1_8A, a lambda-carrageenan specific sulfatase
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Hettle, J.A, Vickers, C, Boraston, A.B.
登録日2024-04-05
公開日2025-08-27
実験手法X-RAY DIFFRACTION (1.839 Å)
主引用文献Structure of S1_8A, a lambda-carrageenan specific sulfatase
To Be Published
5KKF
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BU of 5kkf by Molmil
Crystal structure of TEM1 beta-lactamase mutant I263L
分子名称: Beta-lactamase TEM
著者Roose, B.W, Dmochowski, I.J.
登録日2016-06-21
公開日2017-06-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献A Structural Basis for129Xe Hyper-CEST Signal in TEM-1 beta-Lactamase.
Chemphyschem, 2018
8CJZ
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BU of 8cjz by Molmil
Carin1 bacteriophage mature capsid
分子名称: Capsid Decoration Protein, Major Capsid Protein, Spike Base Protein
著者d'Acapito, A, Neumann, E, Schoehn, G.
登録日2023-02-14
公開日2023-03-15
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural Study of the Cobetia marina Bacteriophage 1 (Carin-1) by Cryo-EM.
J.Virol., 97, 2023
3FLJ
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BU of 3flj by Molmil
Crystal structure of uncharacterized protein conserved in bacteria with a cystatin-like fold (YP_168589.1) from SILICIBACTER POMEROYI DSS-3 at 2.00 A resolution
分子名称: UNKNOWN LIGAND, uncharacterized protein conserved in bacteria with a cystatin-like fold
著者Joint Center for Structural Genomics (JCSG)
登録日2008-12-18
公開日2009-01-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of uncharacterized protein conserved in bacteria with a cystatin-like fold (YP_168589.1) from SILICIBACTER POMEROYI DSS-3 at 2.00 A resolution
To be published
9BES
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BU of 9bes by Molmil
Structure of S1_8A, a lambda-carrageenan specific sulfatase, in complex with monosaccharide
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, S1_8A Sulfatase, ...
著者Hettle, J.A, Vickers, C, Boraston, A.B.
登録日2024-04-16
公開日2025-08-27
実験手法X-RAY DIFFRACTION (2.079 Å)
主引用文献Structure of S1_8A, a lambda-carrageenan specific sulfatase, in complex with monosaccharide
To Be Published
5ZCB
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BU of 5zcb by Molmil
Crystal structure of Alpha-glucosidase
分子名称: Alpha-glucosidase, CALCIUM ION
著者Kato, K, Saburi, W, Yao, M.
登録日2018-02-16
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Function and structure of GH13_31 alpha-glucosidase with high alpha-(1→4)-glucosidic linkage specificity and transglucosylation activity.
FEBS Lett., 592, 2018
7B30
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BU of 7b30 by Molmil
MST3 in complex with compound G-5555
分子名称: 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase 24
著者Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-11-28
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
5NA0
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BU of 5na0 by Molmil
TTK kinase domain in complex with a PEG-linked pyrimido-indolizine
分子名称: Dual specificity protein kinase TTK, ~{N}-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]-2-[[2-methoxy-4-[4-(2-methoxyethanoyl)piperazin-1-yl]phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
著者Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R.
登録日2017-02-27
公開日2017-05-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
9M1F
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BU of 9m1f by Molmil
Crystal structure of E. coli tryptophanyl-tRNA synthetase complexed with chuangxinmycin and ATP in closed-closed state
分子名称: (5~{S},6~{R})-5-methyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
著者Ren, Y, Wang, S, Liu, W, Fang, P.
登録日2025-02-25
公開日2025-07-23
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Mechanistic insights into the ATP-mediated and species-dependent inhibition of TrpRS by chuangxinmycin.
Rsc Chem Biol, 6, 2025
6HSQ
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BU of 6hsq by Molmil
The crystal structure of type II Dehydroquinase from Psychromonas ingrahamii 37 crystal form 1
分子名称: 3-dehydroquinate dehydratase, GLYCEROL, SULFATE ION
著者Lapthorn, A.J, Roszak, A.W.
登録日2018-10-01
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献The crystal structure of type II Dehydroquinase from Butyrivibrio crossotus DSM 2876
To Be Published
9BX5
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BU of 9bx5 by Molmil
Human Fab 8C1 in complex with OspCA peptide P4 (residues 141-144)
分子名称: 1,2-ETHANEDIOL, 8C1 Fab Heavy Chain, 8C1 Fab Light Chain, ...
著者Rudolph, M.J, Mantis, N.
登録日2024-05-22
公開日2025-08-27
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Human Fab 8C1 in complex with OspCA peptide P4 (residues 141-144)
To Be Published

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件を2025-12-03に公開中

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