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7RIZ
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BU of 7riz by Molmil
Crystal structure of RPA3624, a beta-propeller lactonase from Rhodopseudomonas palustris, with active-site bound 2-hydroxyquinoline
分子名称: Beta-propeller lactonase, CALCIUM ION, QUINOLIN-2(1H)-ONE, ...
著者Bingman, C.A, Hall, B.W, Smith, R.W, Fox, B.G, Donohue, T.J.
登録日2021-07-20
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献A broad specificity beta-propeller enzyme from Rhodopseudomonas palustris that hydrolyzes many lactones including gamma-valerolactone.
J.Biol.Chem., 299, 2022
8UQ8
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BU of 8uq8 by Molmil
Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 2-residue linker
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, GLYCEROL, ...
著者Hu, Q, Botuyan, M.V, Mer, G.
登録日2023-10-23
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
7RIS
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BU of 7ris by Molmil
Crystal structure of RPA3624, a beta-propeller lactonase from Rhodopseudomonas palustris, with active-site bound phosphate
分子名称: Beta-propeller lactonase, CALCIUM ION, PHOSPHATE ION, ...
著者Bingman, C.A, Hall, B.W, Smith, R.W, Fox, B.G, Donohue, T.J.
登録日2021-07-20
公開日2023-01-11
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献A broad specificity beta-propeller enzyme from Rhodopseudomonas palustris that hydrolyzes many lactones including gamma-valerolactone.
J.Biol.Chem., 299, 2022
8BJ1
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BU of 8bj1 by Molmil
Crystal structure of Medicago truncatula histidinol-phosphate aminotransferase (HISN6) in the open state
分子名称: 1,2-ETHANEDIOL, SODIUM ION, SULFATE ION, ...
著者Rutkiewicz, M, Ruszkowski, M.
登録日2022-11-03
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Insights into the substrate specificity, structure, and dynamics of plant histidinol-phosphate aminotransferase (HISN6).
Plant Physiol Biochem., 196, 2023
8BJ2
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BU of 8bj2 by Molmil
Crystal structure of Medicago truncatula histidinol-phosphate aminotransferase (HISN6) in the closed state
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, SODIUM ION, ...
著者Rutkiewicz, M, Ruszkowski, M.
登録日2022-11-03
公開日2023-03-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Insights into the substrate specificity, structure, and dynamics of plant histidinol-phosphate aminotransferase (HISN6).
Plant Physiol Biochem., 196, 2023
8BJ3
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BU of 8bj3 by Molmil
Crystal structure of Medicago truncatula histidinol-phosphate aminotransferase (HISN6) in complex with histidinol-phosphate
分子名称: 1,2-ETHANEDIOL, SODIUM ION, [(2~{S})-3-(1~{H}-imidazol-4-yl)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propyl] dihydrogen phosphate, ...
著者Rutkiewicz, M, Ruszkowski, M.
登録日2022-11-03
公開日2023-03-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Insights into the substrate specificity, structure, and dynamics of plant histidinol-phosphate aminotransferase (HISN6).
Plant Physiol Biochem., 196, 2023
7R2Y
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BU of 7r2y by Molmil
Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803 in complex with ATP resulting from short ATP soak, conflicting T-loop and C-loop with partial occupancy
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Membrane-associated protein slr1513, SODIUM ION
著者Selim, K.A, Albrecht, R, Hartmann, M.D.
登録日2022-02-06
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Carbon signaling protein SbtB possesses atypical redox-regulated apyrase activity to facilitate regulation of bicarbonate transporter SbtA.
Proc.Natl.Acad.Sci.USA, 120, 2023
7QZ1
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BU of 7qz1 by Molmil
Formate dehydrogenase from Starkeya novella
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Formate dehydrogenase, ...
著者Pontillo, N, Slotboom, D.J, Guskov, A.
登録日2022-01-30
公開日2023-02-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biochemical and structural insight into the chemical resistance and cofactor specificity of the formate dehydrogenase from Starkeya novella.
Febs J., 290, 2023
5KD8
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BU of 5kd8 by Molmil
BT_4244 metallopeptidase in complex with Tn antigen.
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, Metallopeptidase, NICKEL (II) ION, ...
著者Noach, I, Boraston, A.B.
登録日2016-06-07
公開日2017-01-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Recognition of protein-linked glycans as a determinant of peptidase activity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8OY0
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BU of 8oy0 by Molmil
ATP phosphoribosyltransferase (HisZG ATPPRT) from Acinetobacter baumanii
分子名称: ATP phosphoribosyltransferase, ATP phosphoribosyltransferase regulatory subunit, GLYCEROL, ...
著者Alphey, M.S, Read, B, da Silva, R.G.
登録日2023-05-03
公開日2023-11-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure, Steady-State, and Pre-Steady-State Kinetics of Acinetobacter baumannii ATP Phosphoribosyltransferase.
Biochemistry, 63, 2024
8VFF
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BU of 8vff by Molmil
Binary DNA Polymerase Beta bound to DNA containing primer terminal FapydG base-paired with a dA
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(FAP))-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Oden, P.N, Ryan, B.J, Freudenthal, B.D.
登録日2023-12-21
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
6CXA
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BU of 6cxa by Molmil
Structure of alpha-GSA[20,6P] bound by CD1d and in complex with the Va14Vb8.2 TCR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, Beta-2-microglobulin, ...
著者Wang, J, Zajonc, D.
登録日2018-04-02
公開日2019-04-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides.
J.Biol.Chem., 294, 2019
8ORK
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BU of 8ork by Molmil
cyclic 2,3-diphosphoglycerate synthetase from the hyperthermophilic archaeon Methanothermus fervidus
分子名称: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ...
著者De Rose, S.A, Isupov, M.
登録日2023-04-14
公開日2023-12-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural characterization of a novel cyclic 2,3-diphosphoglycerate synthetase involved in extremolyte production in the archaeon Methanothermus fervidus .
Front Microbiol, 14, 2023
6CPN
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BU of 6cpn by Molmil
Crystal structure of DR11 presenting the RQ13 peptide
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, Gag polyprotein, ...
著者Farenc, C, Gras, S, Rossjohn, J.
登録日2018-03-13
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献CD4+T cell-mediated HLA class II cross-restriction in HIV controllers.
Sci Immunol, 3, 2018
8VFI
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BU of 8vfi by Molmil
Ternary DNA Polymerase Beta bound to DNA containing primer terminal FapydG base-paired with a dA
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Oden, P.N, Ryan, B.J, Freudenthal, B.D.
登録日2023-12-21
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
8BOL
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BU of 8bol by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor P18
分子名称: (2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-6-[[(~{E},2~{S})-5-phenyl-2-[[4-[[2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]pent-4-enoyl]amino]hexan-2-yl]carbamoylamino]pentanedioic acid, 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Motlova, L, Barinka, C, Benesova, M.
登録日2022-11-15
公開日2023-11-29
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor P18
To Be Published
8QTG
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BU of 8qtg by Molmil
Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 9)
分子名称: 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)-1~{H}-pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-10-12
公開日2024-01-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.419 Å)
主引用文献Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
7Q1N
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BU of 7q1n by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide
分子名称: 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, CHLORIDE ION, ...
著者Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F.
登録日2021-10-20
公開日2022-11-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies.
Eur.J.Med.Chem., 249, 2023
8QTJ
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BU of 8qtj by Molmil
Crystal structure of Cbl-b in complex with an allosteric inhibitor (compound 30)
分子名称: 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1~{R})-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-10-12
公開日2024-01-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.523 Å)
主引用文献Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
8QTH
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BU of 8qth by Molmil
Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 8)
分子名称: 1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7H-pyrrolo[2,3-b]pyridin-6-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-10-12
公開日2024-01-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
8BO8
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BU of 8bo8 by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor P17
分子名称: (2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-6-[[(~{E},2~{S})-5-phenyl-2-[[4-[[2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]pent-4-enoyl]amino]hexan-2-yl]carbamoylamino]pentanedioic acid, 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Motlova, L, Barinka, C, Benesova, M.
登録日2022-11-15
公開日2023-11-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor P17
To Be Published
6CXF
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BU of 6cxf by Molmil
Structure of alpha-GSA[26,P5p] bound by CD1d and in complex with the Va14Vb8.2 TCR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, Beta-2-microglobulin, ...
著者Wang, J, Zajonc, D.
登録日2018-04-02
公開日2019-04-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides.
J.Biol.Chem., 294, 2019
7PGI
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BU of 7pgi by Molmil
NaVAb1p (bicelles)
分子名称: ACETATE ION, Ion transport protein, MAGNESIUM ION, ...
著者Lolicato, M, Arrigoni, C.
登録日2021-08-14
公開日2022-06-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.638 Å)
主引用文献Quaternary structure independent folding of voltage-gated ion channel pore domain subunits.
Nat.Struct.Mol.Biol., 29, 2022
6CYM
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BU of 6cym by Molmil
Reversible Covalent Direct Thrombin Inhibitors
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methoxybenzoic acid, Prothrombin, ...
著者Sivaraja, M, Williams, D.C.
登録日2018-04-06
公開日2018-05-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Reversible covalent direct thrombin inhibitors.
PLoS ONE, 13, 2018
8R43
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BU of 8r43 by Molmil
Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant H110N in complex with tri-mannuronic acid
分子名称: Alginate lyase, SODIUM ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-alpha-D-mannopyranuronic acid
著者Wilkens, C.
登録日2023-11-12
公開日2024-01-17
実験手法X-RAY DIFFRACTION (0.87 Å)
主引用文献Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant H110N in complex with tri-mannuronic acid
To Be Published

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件を2024-10-16に公開中

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