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7JVX
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Crystal structure of PTEN (aa 7-353 followed by spacer TGGGSGGTGGGSGGTGGGCY ligated to peptide pSDpTpTDpSDPENEPFDED)
分子名称: PHOSPHATE ION, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN
著者Dempsey, D, Phan, K, Cole, P, Gabelli, S.B.
登録日2020-08-24
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The structural basis of PTEN regulation by multi-site phosphorylation.
Nat.Struct.Mol.Biol., 28, 2021
6BX6
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BU of 6bx6 by Molmil
AMP-Activated protein kinase (AMPK) inhibition by SBI-0206965: alpha 2 kinase domain bound to SBI-0206965
分子名称: 2-({5-bromo-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}oxy)-N-methylbenzene-1-carboximidic acid, 5'-AMP-activated protein kinase catalytic subunit alpha-2
著者Dite, T.A, Langendorf, C.G, Scott, J.W, Oakhill, J.S.
登録日2017-12-17
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献AMP-activated protein kinase selectively inhibited by the type II inhibitor SBI-0206965.
J. Biol. Chem., 293, 2018
8BTV
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BU of 8btv by Molmil
Structure of D179N BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct of sulbactam
分子名称: Beta-lactamase, GLYCEROL, PHOSPHATE ION, ...
著者Chikunova, A, Bruenle, S, Ubbink, M.
登録日2022-12-02
公開日2023-07-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Asp179 in the class A beta-lactamase from Mycobacterium tuberculosis is a conserved yet not essential residue due to epistasis.
Febs J., 290, 2023
8BTU
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BU of 8btu by Molmil
Structure of D179N BlaC from Mycobacterium tuberculosis
分子名称: Beta-lactamase
著者Chikunova, A, Bruenle, S, Ubbink, M.
登録日2022-11-30
公開日2023-07-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Asp179 in the class A beta-lactamase from Mycobacterium tuberculosis is a conserved yet not essential residue due to epistasis.
Febs J., 290, 2023
6BO2
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BU of 6bo2 by Molmil
Adducts formed after 1 month in the reaction of dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)ruthenium(II) with HEWL
分子名称: CHLORIDE ION, Lysozyme C, RUTHENIUM ION, ...
著者Sullivan, M.P, Hartinger, C.G, Goldstone, D.C.
登録日2017-11-17
公開日2018-05-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Unexpected arene ligand exchange results in the oxidation of an organoruthenium anticancer agent: the first X-ray structure of a protein-Ru(carbene) adduct.
Chem. Commun. (Camb.), 54, 2018
5G6Q
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BU of 5g6q by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-(((5-((Methylamino)methyl)pyridin-3-yl)oxy)methyl) quinolin-2-amine
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[5-[(methylideneamino)methyl]pyridin-3-yl]oxymethyl]quinolin-2-amine, ...
著者Holden, J.K, Poulos, T.L.
登録日2016-06-18
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.
Biochemistry, 55, 2016
8BF6
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BU of 8bf6 by Molmil
X-ray structure of the CeuE Homologue from Parageobacillus thermoglucosidasius - azotochelin complex
分子名称: ABC transporter, Azotochelin, FE (III) ION, ...
著者Wilson, K.S, Duhme-Klair, A.-K, Blagova, E.V, Miller, A, Booth, R, Dodson, E.J.
登録日2022-10-24
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.969 Å)
主引用文献Thermostable homologues of the periplasmic siderophore-binding protein CeuE from Geobacillus stearothermophilus and Parageobacillus thermoglucosidasius.
Acta Crystallogr D Struct Biol, 79, 2023
6OTI
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BU of 6oti by Molmil
Carbonic Anhydrase IX mimic complexed with ureic benzene sulfonamide MB9-561B
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ...
著者Kota, A, McKenna, R.
登録日2019-05-03
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB9-561B
To Be Published
6GJA
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BU of 6gja by Molmil
PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - H229A MUTANT
分子名称: 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M.
登録日2018-05-16
公開日2019-11-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of a cereal purple acid phytase provides new insights to phytate degradation in plants.
Plant Commun., 3, 2022
7JLH
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BU of 7jlh by Molmil
Structure of Centromeric Satellite III Non-canonical Duplex
分子名称: ACETATE ION, DNA AATGG, MAGNESIUM ION
著者Yatsunyk, L.A, Chen, E.V.
登録日2020-07-29
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystal Structure of 4-repeat Satellite III Sequence with Non-Canonical Base Interactions
To Be Published
7RK2
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BU of 7rk2 by Molmil
Crystal structure of the human astrovirus serotype 8 capsid spike in complex with scFv 2D9, an astrovirus-neutralizing antibody, at 2.65-A resolution
分子名称: Capsid protein VP25, scFv 2D9
著者Meyer, L, Cuellar, C, DuBois, R.M.
登録日2021-07-21
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structures of Two Human Astrovirus Capsid/Neutralizing Antibody Complexes Reveal Distinct Epitopes and Inhibition of Virus Attachment to Cells.
J.Virol., 96, 2022
5G3X
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BU of 5g3x by Molmil
Structure of recombinant granulovirus polyhedrin
分子名称: GRANULOVIRUS POLYHEDRIN
著者Bunker, R.D, Chiu, E, Metcalf, P.
登録日2016-05-02
公開日2017-02-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Atomic structure of granulin determined from native nanocrystalline granulovirus using an X-ray free-electron laser.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6OTM
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BU of 6otm by Molmil
Carbonic Anhydrase IX mimic complexed with ureic benzene sulfonamide MB10-586B
分子名称: 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Kota, A, McKenna, R.
登録日2019-05-03
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.307 Å)
主引用文献Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB9-561B
To Be Published
8BS3
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BU of 8bs3 by Molmil
Structure of USP36 in complex with Fubi-PA
分子名称: 40S ribosomal protein S30, Ubiquitin carboxyl-terminal hydrolase 36, ZINC ION, ...
著者O'Dea, R, Gersch, M.
登録日2022-11-24
公開日2023-07-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular basis for ubiquitin/Fubi cross-reactivity in USP16 and USP36.
Nat.Chem.Biol., 19, 2023
7JLM
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BU of 7jlm by Molmil
Crystal structure of Bacillus subtilis UppS in complex with MAC-0547630
分子名称: 7-(azepan-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine, CITRIC ACID, Isoprenyl transferase
著者Workman, S.D, Strynadka, N.C.J.
登録日2020-07-29
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Insights into the Inhibition of Undecaprenyl Pyrophosphate Synthase from Gram-Positive Bacteria.
J.Med.Chem., 64, 2021
6OTP
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BU of 6otp by Molmil
Carbonic Anhydrase II complexed with ureic benzene sulfonamide MB10-586B
分子名称: 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Kota, A, McKenna, R.
登録日2019-05-03
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.466 Å)
主引用文献Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB9-561B
To Be Published
6KCX
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BU of 6kcx by Molmil
Crystal structure of citrate complex of alpha-glucuronidase (TM0752)from Thermotoga maritima
分子名称: Alpha-glucosidase, putative, CITRIC ACID, ...
著者Manoj, N, Mohapatra, B.S.
登録日2019-06-29
公開日2020-04-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.933 Å)
主引用文献Structure of an alpha-glucuronidase in complex with Co2+and citrate provides insights into the mechanism and substrate recognition in the family 4 glycosyl hydrolases.
Biochem.Biophys.Res.Commun., 518, 2019
6GJP
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BU of 6gjp by Molmil
Cyclophilin A complexed with tri-vector ligand 7.
分子名称: Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-(cyclopropylmethyl)carbamoyl]amino]ethanoate
著者Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J.
登録日2018-05-16
公開日2018-11-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.
Chem Sci, 10, 2019
7JLI
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BU of 7jli by Molmil
Crystal structure of Bacillus subtilis UppS
分子名称: DI(HYDROXYETHYL)ETHER, Isoprenyl transferase
著者Workman, S.D, Strynadka, N.C.J.
登録日2020-07-29
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Insights into the Inhibition of Undecaprenyl Pyrophosphate Synthase from Gram-Positive Bacteria.
J.Med.Chem., 64, 2021
7R65
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BU of 7r65 by Molmil
Crystal structure of a bacterial cyclic UMP synthase from Burkholderia cepacia LK29
分子名称: Adenylate/guanylate cyclase
著者Morehouse, B.R, Kranzusch, P.J.
登録日2021-06-22
公開日2021-10-13
最終更新日2021-11-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Cyclic CMP and cyclic UMP mediate bacterial immunity against phages.
Cell, 184, 2021
6KJH
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BU of 6kjh by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
分子名称: Putative beta-lactamase, SULFATE ION
著者Xiao, F, Sheng, D, Feng, Y, Li, W.
登録日2019-07-22
公開日2020-07-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
6GNR
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BU of 6gnr by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid (Clonixin)
分子名称: 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid, Transthyretin
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-05-31
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
6BOY
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BU of 6boy by Molmil
Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET6 PROTAC.
分子名称: 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(8-{[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)acetyl]amino}octyl)acetamide, Bromodomain-containing protein 4, DNA damage-binding protein 1, ...
著者Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S.
登録日2017-11-21
公開日2018-05-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Plasticity in binding confers selectivity in ligand-induced protein degradation.
Nat. Chem. Biol., 14, 2018
7RK1
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BU of 7rk1 by Molmil
Crystal structure of the human astrovirus serotype 8 capsid spike in complex with scFv 3E8, an astrovirus-neutralizing antibody, at 2.05-A resolution
分子名称: Capsid polyprotein VP70, scFv 3E8
著者Meyer, L, DuBois, R.M.
登録日2021-07-21
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structures of Two Human Astrovirus Capsid/Neutralizing Antibody Complexes Reveal Distinct Epitopes and Inhibition of Virus Attachment to Cells.
J.Virol., 96, 2022
5T7S
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BU of 5t7s by Molmil
Crystal structure of galectin-8N in complex with Lactose
分子名称: GLYCEROL, Galectin-8, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Bohari, M.H, Yu, X, Blanchard, H.
登録日2016-09-05
公開日2017-01-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based rationale for differential recognition of lacto- and neolacto- series glycosphingolipids by the N-terminal domain of human galectin-8.
Sci Rep, 6, 2016

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