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5G4O
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Crystal structure of the p53 cancer mutant Y220C in complex with a trifluorinated derivative of the small molecule stabilizer Phikan083
分子名称: CELLULAR TUMOR ANTIGEN P53, N,N-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9H-carbazol-3-yl]methanamine, ZINC ION
著者Joerger, A.C, Bauer, M, Baud, M.G.J, Spencer, J.
登録日2016-05-13
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Harnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of P53 Mutant Y220C Rescue Drugs.
Acs Chem.Biol., 11, 2016
7PBE
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BU of 7pbe by Molmil
Emergence of immune escape at dominant SARS-CoV-2 killer T-cell epitope
分子名称: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, Human T-cell Receptor YLQ36, ...
著者Rizkallah, P.J, Sewell, A.K, Wall, A, Fuller, A.
登録日2021-08-02
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Emergence of immune escape at dominant SARS-CoV-2 killer T cell epitope.
Cell, 185, 2022
7QBZ
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Crystal structure Cadmium translocating P-type ATPase
分子名称: Cadmium translocating P-type ATPase, MAGNESIUM ION, TETRAFLUOROALUMINATE ION
著者Groenberg, C, Hu, Q, Wang, K, Gourdon, P.
登録日2021-11-21
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structure and ion-release mechanism of P IB-4 -type ATPases.
Elife, 10, 2021
7QC0
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Crystal structure of Cadmium translocating P-type ATPase
分子名称: BERYLLIUM TRIFLUORIDE ION, Cadmium translocating P-type ATPase, MAGNESIUM ION
著者Groenberg, C, Hu, Q, Wang, K, Gourdon, P.
登録日2021-11-21
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Structure and ion-release mechanism of P IB-4 -type ATPases.
Elife, 10, 2021
4KCC
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Crystal Structure of the NMDA Receptor GluN1 Ligand Binding Domain Apo State
分子名称: Glutamate receptor ionotropic, NMDA 1, PHOSPHATE ION
著者Berger, A.J, Lau, A.Y, Mayer, M.L.
登録日2013-04-24
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.894 Å)
主引用文献Conformational Analysis of NMDA Receptor GluN1, GluN2, and GluN3 Ligand-Binding Domains Reveals Subtype-Specific Characteristics.
Structure, 21, 2013
6I5X
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Crystal structure of Aspergillus fumigatus phosphomannomutase
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Zhang, Y, Raimi, O.G, Ferenbach, A.T, van Aalten, D.M.F.
登録日2018-11-15
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of Aspergillus fumigatus phosphomannomutase
To Be Published
5FM1
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BU of 5fm1 by Molmil
Structure of gamma-tubulin small complex based on a cryo-EM map, chemical cross-links, and a remotely related structure
分子名称: SPINDLE POLE BODY COMPONENT 110, SPINDLE POLE BODY COMPONENT SPC97, SPINDLE POLE BODY COMPONENT SPC98, ...
著者Greenberg, C.H, Kollman, J, Zelter, A, Johnson, R, MacCoss, M.J, Davis, T.N, Agard, D.A, Sali, A.
登録日2015-10-30
公開日2016-02-03
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (8 Å)
主引用文献Structure of Gamma-Tubulin Small Complex Based on a Cryo-Em Map, Chemical Cross-Links, and a Remotely Related Structure.
J.Struct.Biol., 194, 2016
5FRI
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ALK5 in complex witha an N-(4-anilino-2-pyridyl)acetamide inhibitor.
分子名称: 1,2-ETHANEDIOL, N-[4-[(6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-yl)amino]-2-pyridyl]cyclopropanecarboxamide, TGF-BETA RECEPTOR TYPE-1
著者Goldberg, F.W, Daunt, P, Pearson, S.E, Greenwood, R, Debreczeni, J, Grist, M.
登録日2015-12-17
公開日2016-07-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification and optimisation of a series of N-(4-anilino-2-pyridyl)acetamide activin receptor-like kinase 1 (ALK1) inhibitors
Med. Chem. Commun., 7, 2016
5FJQ
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Structural and functional analysis of a lytic polysaccharide monooxygenase important for efficient utilization of chitin in Cellvibrio japonicus
分子名称: CARBOHYDRATE BINDING PROTEIN, PUTATIVE, CPB33A, ...
著者Forsberg, Z, Nelson, C.E, Dalhus, B, Mekasha, S, Loose, J.S.M, Rohr, A.K, Eijsink, V.G.H, Gardner, J.G, Vaaje-Kolstad, G.
登録日2015-10-12
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and Functional Analysis of a Lytic Polysaccharide Monooxygenase Important for Efficient Utilization of Chitin in Cellvibrio Japonicus
J.Biol.Chem., 291, 2016
5FWY
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Crystal structure of the AMPA receptor GluA2/A3 N-terminal domain heterodimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMATE RECEPTOR 2, GLUTAMATE RECEPTOR 3, ...
著者Herguedas, B, Garcia-Nafria, J, Greger, I.H.
登録日2016-02-21
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structure and Organization of Heteromeric Ampa-Type Glutamate Receptors.
Science, 352, 2016
5EDV
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BU of 5edv by Molmil
Structure of the HOIP-RBR/UbcH5B~ubiquitin transfer complex
分子名称: E3 ubiquitin-protein ligase RNF31, Polyubiquitin-B, Ubiquitin-conjugating enzyme E2 D2, ...
著者Lechtenberg, B.C, Mace, P.D, Sanishvili, R, Riedl, S.J.
登録日2015-10-22
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.48 Å)
主引用文献Structure of a HOIP/E2~ubiquitin complex reveals RBR E3 ligase mechanism and regulation.
Nature, 529, 2016
1Z60
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BU of 1z60 by Molmil
Solution structure of the carboxy-terminal domain of human TFIIH P44 subunit
分子名称: TFIIH basal transcription factor complex p44 subunit, ZINC ION
著者Kellenberger, E, Dominguez, C, Fribourg, S, Wasielewski, E, Moras, D, Poterszman, A, Boelens, R, Kieffer, B.
登録日2005-03-21
公開日2005-04-12
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the C-terminal domain of TFIIH P44 subunit reveals a novel type of C4C4 ring domain involved in protein-protein interactions.
J.Biol.Chem., 280, 2005
6JOH
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BU of 6joh by Molmil
The crystal of nucleoside diphosphate kinase from Aspergillus flavus
分子名称: Nucleoside diphosphate kinase
著者Wang, Y, Wang, S, Wang, S.H.
登録日2019-03-21
公開日2020-01-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular and structural basis of Nucleoside Diphosphate Kinase regulating the spores and sclerotia development in Aspergillus flavus
To Be Published
6H7P
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Reductive Aminase from Aspergillus terreus in complex with NADPH4, cyclohexanone and allyl amine
分子名称: CYCLOHEXANONE, Reductive Aminase, [[(2~{R},3~{S},4~{R},5~{R})-5-[(3~{R})-3-aminocarbonylpiperidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate, ...
著者Sharma, M, Grogan, G, Mangas-Sanchez, J, Turner, N.J.
登録日2018-07-31
公開日2019-04-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structure of Reductive Aminase from Aspergillus terreus
Acs Catalysis, 2018
5G3J
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Discovery of New Selective Glucocorticoid Receptor Agonist Leads
分子名称: 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5-[[(1S,2R,4R)-4-ethyl-6,7-bis(fluoranyl)-2,5-bis(oxidanyl)-2-(trifluoromethyl)-3,4-dihydro-1H-naphthalen-1-yl]amino]-1H-quinolin-2-one, ...
著者Berger, M, Edman, K, Wissler, L, Neuhaus, R, Rehwinkel, H, Schacke, H, Jaroch, S.
登録日2016-04-27
公開日2017-02-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of New Selective Glucocorticoid Receptor Agonist Leads.
Bioorg.Med.Chem.Lett., 27, 2017
7OS2
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Cryo-EM structure of Brr2 in complex with Jab1/MPN and C9ORF78
分子名称: Pre-mRNA-processing-splicing factor 8, Telomere length and silencing protein 1 homolog, U5 small nuclear ribonucleoprotein 200 kDa helicase
著者Bergfort, A, Hilal, T, Weber, G, Wahl, M.C.
登録日2021-06-07
公開日2022-02-23
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献The intrinsically disordered TSSC4 protein acts as a helicase inhibitor, placeholder and multi-interaction coordinator during snRNP assembly and recycling.
Nucleic Acids Res., 50, 2022
7OS1
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Cryo-EM structure of Brr2 in complex with Fbp21
分子名称: U5 small nuclear ribonucleoprotein 200 kDa helicase, WW domain-binding protein 4
著者Bergfort, A, Hilal, T, Weber, G, Wahl, M.C.
登録日2021-06-07
公開日2022-02-23
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The intrinsically disordered TSSC4 protein acts as a helicase inhibitor, placeholder and multi-interaction coordinator during snRNP assembly and recycling.
Nucleic Acids Res., 50, 2022
4ZSI
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BU of 4zsi by Molmil
Crystal structure of the effector-binding domain of DasR (DasR-EBD) in complex with glucosamine-6-phosphate
分子名称: 1,2-ETHANEDIOL, 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, 2-amino-2-deoxy-6-O-phosphono-beta-D-glucopyranose, ...
著者Fillenberg, S.B, Koerner, S, Muller, Y.A.
登録日2015-05-13
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.652 Å)
主引用文献Crystal Structures of the Global Regulator DasR from Streptomyces coelicolor: Implications for the Allosteric Regulation of GntR/HutC Repressors.
Plos One, 11, 2016
4ZRW
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Structure of cow mincle complexed with trehalose
分子名称: CALCIUM ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, mincle protein
著者Feinberg, H, Rambaruth, N.D.S, Taylor, M.E, Drickamer, K, Weis, W.I.
登録日2015-05-12
公開日2016-05-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Binding Sites for Acylated Trehalose Analogs of Glycolipid Ligands on an Extended Carbohydrate Recognition Domain of the Macrophage Receptor Mincle.
J.Biol.Chem., 291, 2016
7OOR
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NaK C-DI mutant with Na+ and K+
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-05-28
公開日2022-06-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7OPH
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NaK S-DI mutant with Na+ and K+
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-05-31
公開日2022-06-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7OOU
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NaK C-DI mutant with Li+ and K+
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-05-28
公開日2022-06-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7OQ1
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NaK S-ELM mutant with Na+ and K+
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-06-02
公開日2022-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7OQ2
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NaK S-DI mutant soaked in Na+
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, POTASSIUM ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-06-02
公開日2022-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
6IBU
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Apo Crh5 transglycosylase
分子名称: GLYCEROL, Probable glycosidase crf1
著者Bartual, S.G, Fang, W, van Aalten, D.M.F.
登録日2018-11-30
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Mechanisms of redundancy and specificity of the Aspergillus fumigatus Crh transglycosylases.
Nat Commun, 10, 2019

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