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7QGO
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Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the closed state (crystal form III)
分子名称: 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
著者Strater, N.
登録日2021-12-09
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
6DM0
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BU of 6dm0 by Molmil
Open state GluA2 in complex with STZ and blocked by IEM-1460, after micelle signal subtraction
分子名称: CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2,Voltage-dependent calcium channel gamma-2 subunit, ...
著者Twomey, E.C, Yelshanskaya, M.V, Vassilevski, A.A, Sobolevsky, A.I.
登録日2018-06-04
公開日2018-08-22
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Mechanisms of Channel Block in Calcium-Permeable AMPA Receptors.
Neuron, 99, 2018
6PV9
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Human PD-L1 bound to a macrocyclic peptide which blocks the PD-1/PD-L1 interaction
分子名称: Programmed cell death 1 ligand 1, macrocyclic peptide
著者Appleby, T.C, Lad, L, Gross, M.L.
登録日2019-07-19
公開日2020-01-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Protein Footprinting and X-ray Crystallography Reveal the Interaction of PD-L1 and a Macrocyclic Peptide.
Biochemistry, 59, 2020
6DLZ
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BU of 6dlz by Molmil
Open state GluA2 in complex with STZ after micelle signal subtraction
分子名称: CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2,Voltage-dependent calcium channel gamma-2 subunit
著者Twomey, E.C, Yelshanskaya, M.V, Vassilevski, A.A, Sobolevsky, A.I.
登録日2018-06-04
公開日2018-08-22
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Mechanisms of Channel Block in Calcium-Permeable AMPA Receptors.
Neuron, 99, 2018
7YJM
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Cryo-EM structure of the monomeric atSPT-ORM1 complex
分子名称: Long chain base biosynthesis protein 2a, N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide, ORMDL family protein, ...
著者Xie, T, Liu, P, Gong, X.
登録日2022-07-20
公開日2023-04-05
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Mechanism of sphingolipid homeostasis revealed by structural analysis of Arabidopsis SPT-ORM1 complex.
Sci Adv, 9, 2023
7YJO
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Cryo-EM structure of the monomeric atSPT-ORM1 (LCB2a-deltaN5) complex
分子名称: Long chain base biosynthesis protein 2a, N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide, ORMDL family protein, ...
著者Xie, T, Liu, P, Gong, X.
登録日2022-07-20
公開日2023-04-05
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Mechanism of sphingolipid homeostasis revealed by structural analysis of Arabidopsis SPT-ORM1 complex.
Sci Adv, 9, 2023
7YJN
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Cryo-EM structure of the monomeric atSPT-ORM1 (ORM1-N17A) complex
分子名称: Long chain base biosynthesis protein 1, Long chain base biosynthesis protein 2a, ORMDL family protein, ...
著者Xie, T, Liu, P, Gong, X.
登録日2022-07-20
公開日2023-04-05
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Mechanism of sphingolipid homeostasis revealed by structural analysis of Arabidopsis SPT-ORM1 complex.
Sci Adv, 9, 2023
7YJK
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Cryo-EM structure of the dimeric atSPT-ORM1 complex
分子名称: Long chain base biosynthesis protein 1, Long chain base biosynthesis protein 2a, N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide, ...
著者Xie, T, Liu, P, Gong, X.
登録日2022-07-20
公開日2023-04-05
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Mechanism of sphingolipid homeostasis revealed by structural analysis of Arabidopsis SPT-ORM1 complex.
Sci Adv, 9, 2023
8BWB
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BU of 8bwb by Molmil
Spider toxin Pha1b (PnTx3-6) from Phoneutria nigriventer targeting CaV2.x calcium channels and TRPA1 channel
分子名称: Omega-ctenitoxin-Pn4a
著者Mironov, P.A, Chernaya, E.M, Paramonov, A.S, Shenkarev, Z.O.
登録日2022-12-06
公開日2023-06-21
最終更新日2023-07-05
実験手法SOLUTION NMR
主引用文献Recombinant Production, NMR Solution Structure, and Membrane Interaction of the Ph alpha 1 beta Toxin, a TRPA1 Modulator from the Brazilian Armed Spider Phoneutria nigriventer .
Toxins, 15, 2023
5KK2
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BU of 5kk2 by Molmil
Architecture of fully occupied GluA2 AMPA receptor - TARP complex elucidated by single particle cryo-electron microscopy
分子名称: Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit
著者Zhao, Y, Chen, S, Yoshioka, C, Baconguis, I, Gouaux, E.
登録日2016-06-20
公開日2016-07-06
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (7.3 Å)
主引用文献Architecture of fully occupied GluA2 AMPA receptor-TARP complex elucidated by cryo-EM.
Nature, 536, 2016
6RG0
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BU of 6rg0 by Molmil
Structure of pdxj
分子名称: Pyridoxine 5'-phosphate synthase
著者Rohweder, B, Rajendran, C, Sterner, R.
登録日2019-04-16
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.074 Å)
主引用文献Library Selection with a Randomized Repertoire of ( beta alpha )8-Barrel Enzymes Results in Unexpected Induction of Gene Expression.
Biochemistry, 58, 2019
7YZZ
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BU of 7yzz by Molmil
Crystal structure of Vibrio alkaline phosphatase in 0.5 M NaCl
分子名称: 1,2-ETHANEDIOL, Alkaline phosphatase, CHLORIDE ION, ...
著者Markusson, S, Hjorleifsson, J.G, Kursula, P, Asgeirsson, B.
登録日2022-02-21
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Structural Characterization of Functionally Important Chloride Binding Sites in the Marine Vibrio Alkaline Phosphatase.
Biochemistry, 61, 2022
7Y1G
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BU of 7y1g by Molmil
Crystal structure of human PRKACA complexed with DS01080522
分子名称: 1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide, ZINC ION, cAMP-dependent protein kinase catalytic subunit alpha
著者Suzuki, M, Ubukata, O, Toyoda, A.
登録日2022-06-08
公開日2022-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel protein kinase cAMP-Activated Catalytic Subunit Alpha (PRKACA) inhibitor shows anti-tumor activity in a fibrolamellar hepatocellular carcinoma model.
Biochem.Biophys.Res.Commun., 621, 2022
6DM1
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BU of 6dm1 by Molmil
Open state GluA2 in complex with STZ and blocked by NASPM, after micelle signal subtraction
分子名称: CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2,Voltage-dependent calcium channel gamma-2 subunit, ...
著者Twomey, E.C, Yelshanskaya, M.V, Vassilevski, A.A, Sobolevsky, A.I.
登録日2018-06-04
公開日2018-08-22
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Mechanisms of Channel Block in Calcium-Permeable AMPA Receptors.
Neuron, 99, 2018
7X7X
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BU of 7x7x by Molmil
Human serum albumin complex with deschloro-aripiprazole
分子名称: 7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one, PHOSPHATE ION, Serum albumin
著者Kawai, A, Otagiri, M.
登録日2022-03-10
公開日2022-09-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Chlorine Atoms of an Aripiprazole Molecule Control the Geometry and Motion of Aripiprazole and Deschloro-aripiprazole in Subdomain IIIA of Human Serum Albumin.
Acs Omega, 7, 2022
5NS9
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BU of 5ns9 by Molmil
Crystal structure of the GluA2 LBD (L483Y-N754S-L758V) in complex with glutamate
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, GLUTAMIC ACID, Glutamate receptor 2,Glutamate receptor 2, ...
著者Eibl, C, Plested, A.J.R.
登録日2017-04-25
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Unitary Properties of AMPA Receptors with Reduced Desensitization.
Biophys. J., 113, 2017
7Z4V
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BU of 7z4v by Molmil
Structure of Serine-Threonine kinase STK25 in complex with compound
分子名称: 1,2-ETHANEDIOL, Serine/threonine-protein kinase 25, ~{N}-(5-~{tert}-butyl-1~{H}-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide
著者Nawrotek, A, Vuillard, L, Miallau, L.
登録日2022-03-04
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.644 Å)
主引用文献Targeting non-alcoholic fatty liver disease: Design, X-ray co-crystal structure and synthesis of 'first-in-kind' inhibitors of serine/threonine kinase25.
Bioorg.Med.Chem.Lett., 75, 2022
7Z0N
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BU of 7z0n by Molmil
Structure-Based Design of a Novel Class of Autotaxin Inhibitors Based on Endogenous Allosteric Modulators
分子名称: CALCIUM ION, GLYCEROL, IODIDE ION, ...
著者Salgado-Polo, F, Clark, J.M, Macdonald, S.J.F, Barrett, T.N, Perrakis, A, Jamieson, A.
登録日2022-02-23
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-Based Design of a Novel Class of Autotaxin Inhibitors Based on Endogenous Allosteric Modulators.
J.Med.Chem., 65, 2022
7ZRA
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BU of 7zra by Molmil
Crystal structure of E.coli LexA in complex with nanobody NbSOS1(Nb14497)
分子名称: 1,2-ETHANEDIOL, LexA repressor, Nanobody NbSOS1 (Nb14497)
著者Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L.
登録日2022-05-04
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway.
Structure, 30, 2022
9J0V
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BU of 9j0v by Molmil
Crystal structure of monomeric PLP-dependent transaminase from Desulfobacula toluolica in P 21 21 21 space group
分子名称: DI(HYDROXYETHYL)ETHER, Dat: predicted D-alanine aminotransferase, GLYCEROL, ...
著者Matyuta, I.O, Bakunova, A.K, Nikolaeva, A.Y, Rakitina, T.V, Bezsudnova, E.Y, Popov, V.O, Boyko, K.M.
登録日2024-08-03
公開日2024-09-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献High/low resolution monomeric PLP-dependent transaminase from Desulfobacula toluolica
To Be Published
9BJO
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BU of 9bjo by Molmil
Cryo-EM of Azo-ffsy fiber
分子名称: D-peptide ffsy
著者Zia, A, Guo, J, Xu, B, Wang, F.
登録日2024-04-25
公開日2024-09-18
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cell-Free Nonequilibrium Assembly for Hierarchical Protein/Peptide Nanopillars.
J.Am.Chem.Soc., 2024
9BJN
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BU of 9bjn by Molmil
Cryo-EM of Azo-ffspy fiber
分子名称: D-peptide ffspy
著者Zia, A, Guo, J, Xu, B, Wang, F.
登録日2024-04-25
公開日2024-09-18
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cell-Free Nonequilibrium Assembly for Hierarchical Protein/Peptide Nanopillars.
J.Am.Chem.Soc., 2024
9J0U
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BU of 9j0u by Molmil
Crystal structure of monomeric PLP-dependent transaminase from Desulfobacula toluolica in F 41 3 2 space group
分子名称: Dat: predicted D-alanine aminotransferase, PYRIDOXAL-5'-PHOSPHATE
著者Matyuta, I.O, Bakunova, A.K, Nikolaeva, A.Y, Rakitina, T.V, Bezsudnova, E.Y, Popov, V.O, Boyko, K.M.
登録日2024-08-03
公開日2024-09-18
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献High/low resolution monomeric PLP-dependent transaminase from Desulfobacula toluolica
To Be Published
8FZA
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BU of 8fza by Molmil
Class I type III preQ1 riboswitch from E. coli
分子名称: 7-DEAZA-7-AMINOMETHYL-GUANINE, MANGANESE (II) ION, PreQ1 Riboswitch (30-MER)
著者Wedekind, J.E, Schroeder, G.M, Jenkins, J.L.
登録日2023-01-27
公開日2023-08-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and function analysis of a type III preQ 1 -I riboswitch from Escherichia coli reveals direct metabolite sensing by the Shine-Dalgarno sequence.
J.Biol.Chem., 299, 2023
7F39
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The structure of flavin transferase FmnB
分子名称: FAD:protein FMN transferase
著者Cheng, W, Zheng, Y.H.
登録日2021-06-15
公開日2021-11-03
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.888 Å)
主引用文献Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022

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件を2024-09-25に公開中

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