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8C9V
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O-methyltransferase from Desulfuromonas acetoxidans
分子名称: MAGNESIUM ION, O-methyltransferase, family 3
著者Zhang, L, Groves, M.R.
登録日2023-01-23
公開日2023-04-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Characterization and Extended Substrate Scope Analysis of Two Mg 2+ -Dependent O-Methyltransferases from Bacteria.
Chembiochem, 24, 2023
7QRT
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BU of 7qrt by Molmil
Structural insight into the Scribble PDZ domains interaction with the oncogenic Human T-cell lymphotrophic virus-1 (HTLV-1) Tax1
分子名称: CHLORIDE ION, Protein Tax-1, Protein scribble homolog, ...
著者Javorsky, A, Soares da Costa, T.P, Mackie, E.R, Humbert, P.O, Kvansakul, M, Maddumage, J.C.
登録日2022-01-12
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insight into the Scribble PDZ domains interaction with the oncogenic Human T-cell lymphotrophic virus-1 (HTLV-1) Tax1 PBM.
Febs J., 290, 2023
7VLI
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BU of 7vli by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound MI2220
分子名称: 1-[(3~{S},6~{S},19~{R})-3,6-bis(4-azanylbutyl)-2,5,8,12,15,18-hexakis(oxidanylidene)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine, NS3 protease, SULFATE ION, ...
著者Quek, J.P.
登録日2021-10-02
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.385 Å)
主引用文献Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
6NC7
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BU of 6nc7 by Molmil
Lipid II flippase MurJ, inward open conformation
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Lipid II flippase MurJ, SULFATE ION
著者Kuk, A.C.Y, Lee, S.-Y.
登録日2018-12-11
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Visualizing conformation transitions of the Lipid II flippase MurJ.
Nat Commun, 10, 2019
7VUD
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Carotenoid Cleavage Dioxygenase 1 from Osmanthus fragrans
分子名称: Carotenoid cleavage dioxygenase 1, NICKEL (II) ION, OXTOXYNOL-10, ...
著者Sharma, D, Xue, B.
登録日2021-11-02
公開日2022-11-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Carotenoid Cleavage Dioxygenase 1 from Osmanthus fragrans
To Be Published
7O5N
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BU of 7o5n by Molmil
Crystal Structure of a Class D carbapenemase complexed with Avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1-BUTANOL, Beta-lactamase, ...
著者Zhou, Q, Zhang, Z, He, Y, Jin, Y.
登録日2021-04-09
公開日2022-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
5JGJ
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BU of 5jgj by Molmil
Crystal structure of GtmA
分子名称: UbiE/COQ5 family methyltransferase, putative
著者Dolan, S.K, Bock, T, Hering, V, Jones, G.W, Blankenfeldt, W, Doyle, S.
登録日2016-04-20
公開日2017-03-01
最終更新日2018-03-28
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structural, mechanistic and functional insight into gliotoxinbis-thiomethylation inAspergillus fumigatus.
Open Biol, 7, 2017
5EYL
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BU of 5eyl by Molmil
TUBULIN-BINDING DARPIN
分子名称: DESIGNED ANKYRIN REPEAT PROTEIN (DARPIN), GLYCEROL, PHOSPHATE ION
著者Ahmad, S, Kossow, M, Gigant, B.
登録日2015-11-25
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Destabilizing an interacting motif strengthens the association of a designed ankyrin repeat protein with tubulin.
Sci Rep, 6, 2016
7VWW
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X-ray structure of a domain-swapped poly-glutamine Monellin mutant
分子名称: DI(HYDROXYETHYL)ETHER, Monellin chain B,Monellin chain A
著者Manjula, R, Ramaswamy, S, Gosavi, S.
登録日2021-11-12
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Effect of polyQ on protein assembly
To Be Published
8PBS
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BU of 8pbs by Molmil
Mutant K1482M of the dihydroorotase domain of human CAD protein in apo form
分子名称: CAD protein, FORMIC ACID, GLYCEROL, ...
著者del Cano-Ochoa, F, Ramon-Maiques, S.
登録日2023-06-09
公開日2023-11-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Beyond genetics: Deciphering the impact of missense variants in CAD deficiency.
J Inherit Metab Dis, 46, 2023
5JGU
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BU of 5jgu by Molmil
Spin-Labeled T4 Lysozyme Construct R119V1
分子名称: CHLORIDE ION, Endolysin, PHOSPHATE ION, ...
著者Balo, A.R, Feyrer, H, Ernst, O.P.
登録日2016-04-20
公開日2017-02-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.468 Å)
主引用文献Toward Precise Interpretation of DEER-Based Distance Distributions: Insights from Structural Characterization of V1 Spin-Labeled Side Chains.
Biochemistry, 55, 2016
7O70
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BU of 7o70 by Molmil
KRasG12C ligand complex
分子名称: 1-[(4R,7S)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2, CALCIUM ION, GTPase KRas, ...
著者Phillips, C.
登録日2021-04-12
公開日2022-04-20
最終更新日2022-05-25
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C .
J.Med.Chem., 65, 2022
6NCZ
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BU of 6ncz by Molmil
Crystal structure of hybrid beta-glucuronidase/beta-galacturonidase from Fusicatenibacter saccharivorans bound to phenyl-thio-beta-D-glucuronide
分子名称: Beta-glucuronidase, GLYCEROL, phenyl 1-thio-beta-D-glucopyranosiduronic acid
著者Walton, W.G, Pellock, S.J, Redinbo, M.R.
登録日2018-12-12
公開日2019-02-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Selecting a Single Stereocenter: The Molecular Nuances That Differentiate beta-Hexuronidases in the Human Gut Microbiome.
Biochemistry, 58, 2019
7QSA
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BU of 7qsa by Molmil
Structural basis on the interaction of Scribble PDZ domains with the Tick Born encephalitis virus (TBEV) NS5 protein
分子名称: Protein scribble homolog, RNA-directed RNA polymerase NS5
著者Javorsky, A, Humbert, P.O, Kvansakul, M.
登録日2022-01-13
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Molecular basis of Tick Born encephalitis virus NS5 mediated subversion of apico-basal cell polarity signalling.
Biochem.J., 479, 2022
5EZ8
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BU of 5ez8 by Molmil
A de novo designed heptameric coiled coil CC-Hept-I-C-I
分子名称: CC-Hept-I-C-I
著者Burton, A.J, Brady, R.L, Woolfson, D.N.
登録日2015-11-26
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Installing hydrolytic activity into a completely de novo protein framework.
Nat.Chem., 8, 2016
7QS9
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BU of 7qs9 by Molmil
Structural basis on the interaction of Scribble PDZ domains with the Tick Born encephalitis virus (TBEV) NS5 protein
分子名称: Protein scribble homolog, RNA-directed RNA polymerase NS5
著者Javorsky, A, Humbert, P.O, Kvansakul, M.
登録日2022-01-13
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular basis of Tick Born encephalitis virus NS5 mediated subversion of apico-basal cell polarity signalling.
Biochem.J., 479, 2022
7OCQ
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BU of 7ocq by Molmil
NADH bound to the dehydrogenase domain of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD from Acinetobacter baumannii
分子名称: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Tam, H.K, Mueller, V, Pos, K.M.
登録日2021-04-28
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7QQH
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Crystal structure of MYORG (D520N) in complex with Gal-a1,4-Glc
分子名称: 1,2-ETHANEDIOL, 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Meek, R.W, Davies, G.J.
登録日2022-01-07
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The primary familial brain calcification-associated protein MYORG is an alpha-galactosidase with restricted substrate specificity.
Plos Biol., 20, 2022
7OCN
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Crystal structure of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD from Acinetobacter baumannii
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BROMIDE ION, ...
著者Tam, H.K, Mueller, V, Pos, K.M.
登録日2021-04-28
公開日2022-04-20
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation.
Proc.Natl.Acad.Sci.USA, 119, 2022
8PND
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BU of 8pnd by Molmil
The ES3 intermediate of hydroxymethylbilane synthase R167Q variant
分子名称: 1,2-ETHANEDIOL, 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid, GLYCEROL, ...
著者Saeter, M.C, Bustad, H.J, Laitaoja, M, Janis, J, Martinez, A, Aarsand, A.K, Kallio, J.P.
登録日2023-06-30
公開日2023-11-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献One ring closer to a closure: the crystal structure of the ES 3 hydroxymethylbilane synthase intermediate.
Febs J., 291, 2024
6NDU
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BU of 6ndu by Molmil
Structure of human PACRG-MEIG1 complex
分子名称: CHLORIDE ION, Meiosis expressed gene 1 protein homolog, PHOSPHATE ION, ...
著者Khan, N, Croteau, N, Pelletier, D, Veyron, S, Trempe, J.F.
登録日2018-12-14
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of human PACRG in complex with MEIG1
Biorxiv, 2019
7VWO
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BU of 7vwo by Molmil
TA complex from Mycobacterium tuberculosis
分子名称: Antitoxin VapB43, Ribonuclease VapC43
著者Eun, H.-J, Lee, B.-J, Lee, J.-Y.
登録日2021-11-11
公開日2022-11-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献TA complex from Mycobacterium tuberculosis
To Be Published
5EZV
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BU of 5ezv by Molmil
X-ray crystal structure of AMP-activated protein kinase alpha-2/alpha-1 RIM chimaera (alpha-2(1-347)/alpha-1(349-401)/alpha-2(397-end) beta-1 gamma-1) co-crystallized with C2 (5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid)
分子名称: 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-activated protein kinase catalytic subunit alpha-2/alpha-1 RIM SWAP chimera, 5'-AMP-activated protein kinase subunit beta-1, ...
著者Langendorf, C.G, Kemp, B.E.
登録日2015-11-26
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Structural basis of allosteric and synergistic activation of AMPK by furan-2-phosphonic derivative C2 binding.
Nat Commun, 7, 2016
7QQG
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Crystal structure of MYORG bound to 1-deoxygalactonojirimycin
分子名称: (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, 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Meek, R.W, Davies, G.J.
登録日2022-01-07
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献The primary familial brain calcification-associated protein MYORG is an alpha-galactosidase with restricted substrate specificity.
Plos Biol., 20, 2022
5JHA
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Structure of Phosphoinositide 3-kinase gamma (PI3K) bound to the potent inhibitor PIKin2
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol
著者Burke, J.E, Inglis, A.J, Williams, R.L.
登録日2016-04-20
公開日2017-03-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017

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件を2024-10-02に公開中

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