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8PGP
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BU of 8pgp by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 3193
分子名称: 7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-cyano-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
著者Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
登録日2023-06-18
公開日2024-07-10
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 3193
To Be Published
8PG2
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Crystal structure of the metallo-beta-lactamase VIM1 with 2728
分子名称: 7-[(1~{S})-1-[5-(3-azanylpropyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ...
著者Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
登録日2023-06-18
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 2728
To Be Published
5TK5
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BU of 5tk5 by Molmil
Crystal structure of human 3HAO with iron bound in the active site
分子名称: 3-hydroxyanthranilate 3,4-dioxygenase, FE (III) ION, SULFATE ION
著者Pidugu, L.S, Toth, E.A.
登録日2016-10-06
公開日2017-04-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structures of human 3-hydroxyanthranilate 3,4-dioxygenase with native and non-native metals bound in the active site.
Acta Crystallogr D Struct Biol, 73, 2017
6ITQ
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BU of 6itq by Molmil
Crystal structure of cortisol complexed with its nanobody at pH 10.5
分子名称: (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, SULFATE ION, anti-cortisol camelid antibody
著者Ding, Y, Ding, L.L, Wang, Z.Y, Zhong, P.Y.
登録日2018-11-24
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.526 Å)
主引用文献Structural insights into the mechanism of single domain VHH antibody binding to cortisol.
Febs Lett., 593, 2019
6E7S
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BU of 6e7s by Molmil
Heterodimer of the GluN1b-GluN2B NMDA receptor amino-terminal domains bound to allosteric inhibitor 93-5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Regan, M.C, Furukawa, H.
登録日2018-07-27
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Structural elements of a pH-sensitive inhibitor binding site in NMDA receptors
Nat Commun, 10, 2019
6XYT
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BU of 6xyt by Molmil
Crystal structure of the O-state of the light-driven sodium pump KR2 in the pentameric form, pH 8.0
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, GLYCEROL, ...
著者Kovalev, K, Gushchin, I, Gordeliy, V.
登録日2020-01-31
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular mechanism of light-driven sodium pumping.
Nat Commun, 11, 2020
8PGS
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BU of 8pgs by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 3380
分子名称: 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
著者Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
登録日2023-06-18
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 3380
To Be Published
6EOA
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Crystal Structure of HAL3 from Cryptococcus neoformans
分子名称: FLAVIN MONONUCLEOTIDE, Phosphopantothenoylcysteine decarboxylase
著者Reverter, D, Zhang, C, Molero, C, Arino, J.
登録日2017-10-09
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Characterization of the atypical Ppz/Hal3 phosphatase system from the pathogenic fungus Cryptococcus neoformans.
Mol.Microbiol., 111, 2019
8PH2
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Crystal structure of the metallo-beta-lactamase VIM1 with 3746
分子名称: 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[1-(2-azanylethyl)pyrazol-4-yl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
著者Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
登録日2023-06-18
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 3746
To Be Published
7K7B
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BU of 7k7b by Molmil
Crystal structure of diphtheria toxin from crystals obtained at pH 5.0
分子名称: Diphtheria toxin
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Rodnin, M.V, Ladokhin, A.S.
登録日2020-09-22
公開日2020-11-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure of the Diphtheria Toxin at Acidic pH: Implications for the Conformational Switching of the Translocation Domain.
Toxins, 12, 2020
5EJ6
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EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 2min then soaked with isochorismate for 2 min
分子名称: (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, MANGANESE (II) ION
著者Song, H.G, Dong, C, Chen, Y.Z, Sun, Y.R, Guo, Z.H.
登録日2015-11-01
公開日2016-06-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.243 Å)
主引用文献A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis
J.Am.Chem.Soc., 138, 2016
7ZAO
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Structure of BPP43_05035 of Brachyspira pilosicoli
分子名称: MAGNESIUM ION, Sialidase (Neuraminidase) family protein-like protein
著者Rajan, A, Gallego, P, Pelaseyed, T.
登録日2022-03-22
公開日2023-10-11
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献BPP43_05035 is a Brachyspira pilosicoli cell surface adhesin that weakens the integrity of the epithelial barrier during infection
Biorxiv, 2024
8PGA
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BU of 8pga by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2818
分子名称: 7-[(1~{S})-1-[5-(3-azanylpropyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
著者Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
登録日2023-06-18
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 2818
To Be Published
6XYL
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BU of 6xyl by Molmil
Crystal structure of delta466-491 cystathionine beta-synthase from Toxoplasma gondii with L-serine
分子名称: 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, Cystathionine beta-synthase
著者Fernandez-Rodriguez, C, Oyenarte, I, Conter, C, Gonzalez-Recio, I, Quintana, I, Martinez-Chantar, M, Astegno, A, Martinez-Cruz, L.A.
登録日2020-01-30
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.151 Å)
主引用文献Structural insight into the unique conformation of cystathionine beta-synthase from Toxoplasma gondii .
Comput Struct Biotechnol J, 19, 2021
8Q2B
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BU of 8q2b by Molmil
E. coli Adenylate Kinase variant D158A (AK D158A) showing significant changes to the stacking of catalytic arginine side chains
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ...
著者Sauer, U.H, Wolf-Watz, M, Nam, K.
登録日2023-08-01
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Elucidating Dynamics of Adenylate Kinase from Enzyme Opening to Ligand Release.
J.Chem.Inf.Model., 64, 2024
6AUW
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BU of 6auw by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-Methyl-6-(2-(5-(4-((methylamino)methyl)phenyl)pyridin-3-yl)ethyl)pyridin-2-amine
分子名称: 4-methyl-6-[2-(5-{4-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2017-09-01
公開日2018-07-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
5TKY
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BU of 5tky by Molmil
Crystal structure of the co-translational Hsp70 chaperone Ssb in the ATP-bound, open conformation
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Putative uncharacterized protein
著者Gumiero, A, Gese, G.V, Weyer, F.A, Lapouge, K, Sinning, I.
登録日2016-10-10
公開日2016-11-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Interaction of the cotranslational Hsp70 Ssb with ribosomal proteins and rRNA depends on its lid domain.
Nat Commun, 7, 2016
6XQH
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BU of 6xqh by Molmil
Crystal structure of SCLam E144S mutant, a non-specific endo-beta-1,3(4)-glucanase from family GH16, co-crystallized with cellotriose, presenting a 1,3-beta-D-cellobiosyl-glucose and a cellobiose at active site
分子名称: CALCIUM ION, GH16 family protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
著者Liberato, M.V, Squina, F.
登録日2020-07-09
公開日2021-02-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds.
J.Biol.Chem., 296, 2021
6P91
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Structure of Lassa virus glycoprotein bound to Fab 18.5C
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 18.5C Antibody heavy chain, ...
著者Saphire, E.O, Hastie, K.M.
登録日2019-06-09
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Convergent Structures Illuminate Features for Germline Antibody Binding and Pan-Lassa Virus Neutralization.
Cell, 178, 2019
8PGN
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Crystal structure of the metallo-beta-lactamase VIM1 with 3169
分子名称: 7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
著者Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
登録日2023-06-18
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 3169
To Be Published
7ZET
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Crystal structure of human Clusterin, crystal form I
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Clusterin, ...
著者Yuste-Checa, P, Bracher, A, Hartl, F.U.
登録日2022-03-31
公開日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of human Clusterin, crystal form I
To be published
6XOF
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Crystal structure of SCLam, a non-specific endo-beta-1,3(4)-glucanase from family GH16
分子名称: CALCIUM ION, GH16 family protein, GLYCEROL
著者Liberato, M.V, Bernardes, A, Polikarpov, I, Squina, F.
登録日2020-07-07
公開日2021-02-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds.
J.Biol.Chem., 296, 2021
8PJX
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Crystal structure of the computationally designed SAKe6FR protein
分子名称: CALCIUM ION, SAKe6FR
著者Wouters, S.M.L.
登録日2023-06-23
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Computational design of the SAKe scaffold proteins
To Be Published
6PII
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The evolving story of AtzT, a periplasmic binding protein
分子名称: Atrazine periplasmic binding protein, CALCIUM ION, ETHYL MERCURY ION, ...
著者Peat, T.S, Newman, J, Scott, C, Esquirol, L, Dennis, M, Nebl, T.
登録日2019-06-26
公開日2019-11-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献The evolving story of AtzT, a periplasmic binding protein.
Acta Crystallogr D Struct Biol, 75, 2019
6IV9
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the Cas13d binary complex
分子名称: Cas13d, MAGNESIUM ION, crRNA (50-MER)
著者Zhang, B, Ye, Y.M, Ye, W.W, OuYang, S.Y.
登録日2018-12-02
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Two HEPN domains dictate CRISPR RNA maturation and target cleavage in Cas13d.
Nat Commun, 10, 2019

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件を2024-08-28に公開中

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