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7QT6
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Room temperature In-situ SARS-CoV-2 MPRO with bound Z1367324110
分子名称: 1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
登録日2022-01-14
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 2022
7QT5
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Room temperature In-situ SARS-CoV-2 MPRO with bound Z31792168
分子名称: 2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
登録日2022-01-14
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 2022
8QDY
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Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 8
分子名称: 3-cyclopropyl-4-(4-methoxyphenyl)-1~{H}-pyrazolo[4,3-c]pyridine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M.
登録日2023-08-30
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
7QT7
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BU of 7qt7 by Molmil
Room temperature In-situ SARS-CoV-2 MPRO with bound Z4439011520
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
著者Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
登録日2022-01-14
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 2022
7QGF
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Cubic Insulin SAD phasing at 14.2 keV
分子名称: Insulin A chain, Insulin B chain
著者Nanao, M.H, Basu, S.
登録日2021-12-08
公開日2022-06-01
実験手法X-RAY DIFFRACTION (1.203 Å)
主引用文献ID23-2: an automated and high-performance microfocus beamline for macromolecular crystallography at the ESRF.
J.Synchrotron Radiat., 29, 2022
4P45
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BU of 4p45 by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor JRB-4-73
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Novakova, Z, Barinka, C.
登録日2014-03-11
公開日2015-05-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Design of composite inhibitors targeting glutamate carboxypeptidase II: the importance of effector functionalities.
Febs J., 283, 2016
8QK1
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Crystal structure of Trichuris suis beta-N-acetyl-D-hexosaminidase - HEX-2 in apo form
分子名称: ZINC ION, beta-N-acetylhexosaminidase
著者Dutkiewicz, Z, Varrot, A.
登録日2023-09-14
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Nematode hexosaminidases, a new biochemical tool for glycan analysis
To be published
6BXH
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Menin in complex with MI-853
分子名称: 1-{2-[4-(fluoroacetyl)piperazin-1-yl]ethyl}-4-methyl-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, Menin, ...
著者Borkin, D, Klossowski, S, Pollock, J, Linhares, B, Cierpicki, T, Grembecka, J.
登録日2017-12-18
公開日2018-11-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.445 Å)
主引用文献Menin in complex with MI-853
To Be Published
7QGR
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Structure of the SmrB-bound E. coli disome - collided 70S ribosome
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
著者Kratzat, H, Buschauer, R, Berninghausen, O, Beckmann, R.
登録日2021-12-09
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (5.7 Å)
主引用文献Ribosome collisions induce mRNA cleavage and ribosome rescue in bacteria.
Nature, 603, 2022
5N0J
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BU of 5n0j by Molmil
Structure of a novel oxidoreductase from Gloeobacter violaceus
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Gll2934 protein, SULFATE ION
著者Buey, R.M, Galindo-Trigo, S, de Pereda, J.M, Balsera, M.
登録日2017-02-03
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献Unprecedented pathway of reducing equivalents in a diflavin-linked disulfide oxidoreductase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5C7J
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BU of 5c7j by Molmil
CRYSTAL STRUCTURE OF NEDD4 WITH A UB VARIANT
分子名称: E3 ubiquitin-protein ligase NEDD4, Polyubiquitin-C
著者Walker, J.R, Hu, J, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC)
登録日2015-06-24
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
6EFH
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BU of 6efh by Molmil
Pyruvate decarboxylase from Kluyveromyces lactis soaked with pyruvamide
分子名称: (1S,2S)-1-amino-1,2-dihydroxypropan-1-olate, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
著者Kutter, S, Konig, S.
登録日2018-08-16
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献The crystal structures of pyruvate decarboxylase from Kluyveromyces lactis in the absence of ligands and in the presence of the substrate surrogate pyruvamide
To be Published
4P5Z
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BU of 4p5z by Molmil
Human EphA3 Kinase domain in complex with quinoxaline derivatives
分子名称: 2-amino-1-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Ephrin type-A receptor 3
著者Dong, J, Caflisch, A.
登録日2014-03-20
公開日2014-08-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation.
J.Med.Chem., 57, 2014
6N41
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BU of 6n41 by Molmil
Crystal structure of InvbM.18715.a.KN11: Influenza hemagglutinin from strain A/Netherlands/002P1/1951
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Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-11-16
公開日2018-12-05
最終更新日2023-05-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural characterisation of hemagglutinin from seven Influenza A H1N1 strains reveal diversity in the C05 antibody recognition site.
Sci Rep, 13, 2023
1A7S
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BU of 1a7s by Molmil
ATOMIC RESOLUTION STRUCTURE OF HBP
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Karlsen, S, Iversen, L.F, Larsen, I.K, Flodgaard, H.J, Kastrup, J.S.
登録日1998-03-17
公開日1999-03-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Atomic resolution structure of human HBP/CAP37/azurocidin.
Acta Crystallogr.,Sect.D, 54, 1998
8OOG
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BU of 8oog by Molmil
Crystal structure of human MAT2a with S-Adenosylmethionine and a fragment bound in a novel pocket
分子名称: 6-oxidanyl-1,3-benzoxathiol-2-one, DIMETHYL SULFOXIDE, S-ADENOSYLMETHIONINE, ...
著者Schimpl, M.
登録日2023-04-05
公開日2023-07-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.384 Å)
主引用文献Combining structural and coevolution information to unveil allosteric sites.
Chem Sci, 14, 2023
4A9J
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BU of 4a9j by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-(4-hydroxyphenyl) acetamide
分子名称: 1,2-ETHANEDIOL, BROMODOMAIN CONTAINING 2, N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL), ...
著者Chung, C.W, Bamborough, P.
登録日2011-11-26
公開日2012-01-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-Based Discovery of Bromodomain Inhibitors Part 1: Inhibitor Binding Modes and Implications for Lead Discovery.
J.Med.Chem., 55, 2012
7QVP
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BU of 7qvp by Molmil
Human collided disome (di-ribosome) stalled on XBP1 mRNA
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
著者Denk, T.G, Tesina, P, Beckmann, R.
登録日2022-01-22
公開日2022-10-12
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A distinct mammalian disome collision interface harbors K63-linked polyubiquitination of uS10 to trigger hRQT-mediated subunit dissociation.
Nat Commun, 13, 2022
8PVK
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BU of 8pvk by Molmil
Chaetomium thermophilum pre-60S State 5 - pre-5S rotation - L1 inward - composite structure
分子名称: 26S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Thoms, M, Cheng, J, Denk, T, Berninghausen, O, Beckmann, R.
登録日2023-07-17
公開日2023-12-06
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (2.55 Å)
主引用文献Structural insights into coordinating 5S RNP rotation with ITS2 pre-RNA processing during ribosome formation.
Embo Rep., 24, 2023
8PVL
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Chaetomium thermophilum pre-60S State 7 - pre-5S rotation lacking Utp30/ITS2 - composite structure
分子名称: 26S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Thoms, M, Cheng, J, Denk, T, Berninghausen, O, Beckmann, R.
登録日2023-07-17
公開日2023-12-06
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (2.19 Å)
主引用文献Structural insights into coordinating 5S RNP rotation with ITS2 pre-RNA processing during ribosome formation.
Embo Rep., 24, 2023
7QOW
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BU of 7qow by Molmil
Crystal structure of Vibrio alkaline phosphatase in 1.0 M NaCl
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alkaline phosphatase, ...
著者Markusson, S, Hjorleifsson, J.G, Kursula, P, Asgeirsson, B.
登録日2021-12-29
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural Characterization of Functionally Important Chloride Binding Sites in the Marine Vibrio Alkaline Phosphatase.
Biochemistry, 61, 2022
7QP8
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Crystal structure of Vibrio alkaline phosphatase with bound HEPES
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Alkaline phosphatase, CHLORIDE ION, ...
著者Markusson, S, Hjorleifsson, J.G, Kursula, P, Asgeirsson, B.
登録日2022-01-03
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Characterization of Functionally Important Chloride Binding Sites in the Marine Vibrio Alkaline Phosphatase.
Biochemistry, 61, 2022
6GCT
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BU of 6gct by Molmil
cryo-EM structure of the human neutral amino acid transporter ASCT2
分子名称: GLUTAMINE, Neutral amino acid transporter B(0)
著者Garaeva, A.A, Oostergetel, G.T, Gati, C, Guskov, A, Paulino, C, Slotboom, D.J.
登録日2018-04-19
公開日2018-06-13
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献Cryo-EM structure of the human neutral amino acid transporter ASCT2.
Nat. Struct. Mol. Biol., 25, 2018
4AGO
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BU of 4ago by Molmil
Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5174
分子名称: CELLULAR TUMOR ANTIGEN P53, TERT-BUTYL [3-(3-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-HYDROXY-5-IODOPHENYL)PROP-2-YN-1-YL]CARBAMATE, ZINC ION
著者Joerger, A.C, Wilcken, R, Fersht, A.R, Boeckler, F.M.
登録日2012-01-30
公開日2012-03-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53.
J.Am.Chem.Soc., 134, 2012
7BBO
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Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P212121
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, PH-interacting protein
著者Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Structural Genomics Consortium (SGC)
登録日2020-12-18
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P21212
To Be Published

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件を2024-07-10に公開中

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