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2YXP
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BU of 2yxp by Molmil
The Effect of Deuteration on Protein Structure A High Resolution Comparison of Hydrogenous and Perdeuterated Haloalkane Dehalogenase
分子名称: Haloalkane dehalogenase
著者Liu, X, Hanson, L, Langan, P, Viola, R.E.
登録日2007-04-27
公開日2007-09-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献The effect of deuteration on protein structure: a high-resolution comparison of hydrogenous and perdeuterated haloalkane dehalogenase.
Acta Crystallogr.,Sect.D, 63, 2007
4BAL
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BU of 4bal by Molmil
Thaumatin from Thaumatococcus daniellii structure in complex with the europium tris-hydroxymethyltriazoledipicolinate complex at 1.30 A resolution.
分子名称: 4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid, EUROPIUM (III) ION, THAUMATIN-1
著者Talon, R, Kahn, R, Gautier, A, Nauton, L, Girard, E.
登録日2012-09-14
公開日2012-11-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.298 Å)
主引用文献Clicked Europium Dipicolinate Complexes for Protein X-Ray Structure Determination.
Chem.Commun.(Camb.), 48, 2012
6XFP
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BU of 6xfp by Molmil
Crystal Structure of BRAF kinase domain bound to Belvarafenib
分子名称: 4-amino-N-{1-[(3-chloro-2-fluorophenyl)amino]-6-methylisoquinolin-5-yl}thieno[3,2-d]pyrimidine-7-carboxamide, CHLORIDE ION, Serine/threonine-protein kinase B-raf
著者Yin, J, Sudhamsu, J.
登録日2020-06-16
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献ARAF mutations confer resistance to the RAF inhibitor belvarafenib in melanoma.
Nature, 594, 2021
4WG5
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BU of 4wg5 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647
分子名称: 5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2014-09-17
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647
to be published
7CLF
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BU of 7clf by Molmil
PigF with SAH
分子名称: ACETATE ION, Methyltransferase domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE
著者Qiu, S, Xu, D, Han, N, Sun, B, Ran, T, Wang, W.
登録日2020-07-20
公開日2021-07-28
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.982 Å)
主引用文献Crystal structures of PigF, an O-methyltransferase involved in the prodigiosin synthetic pathway, reveal an induced-fit substrate-recognition mechanism.
Iucrj, 9, 2022
7CLU
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BU of 7clu by Molmil
PigF with SAH
分子名称: ACETATE ION, GLYCEROL, Methyltransferase domain-containing protein
著者Qiu, S, Xu, D, Han, N, Sun, B, Ran, T, Wang, W.
登録日2020-07-22
公開日2021-07-28
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of PigF, an O-methyltransferase involved in the prodigiosin synthetic pathway, reveal an induced-fit substrate-recognition mechanism.
Iucrj, 9, 2022
7Q3N
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BU of 7q3n by Molmil
Cryo-EM of the complex between human uromodulin (UMOD)/Tamm-Horsfall protein (THP) and the FimH lectin domain from uropathogenic E. coli
分子名称: 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, Type 1 fimbiral adhesin FimH, ...
著者Jovine, L, Xu, C, Stsiapanava, A, Carroni, M, Tunyasuvunakool, K, Jumper, J, Wu, B.
登録日2021-10-28
公開日2022-03-16
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (7.4 Å)
主引用文献Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
4WG3
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BU of 4wg3 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1610
分子名称: 3-(7-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2014-09-17
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1610
to be published
8XZE
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BU of 8xze by Molmil
Crystal structure of THF-II riboswitch with THF and soaked with Ir
分子名称: (6S)-5,6,7,8-TETRAHYDROFOLATE, IRIDIUM ION, MAGNESIUM ION, ...
著者Li, C.Y, Ren, A.M.
登録日2024-01-21
公開日2024-07-24
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structure-based characterization and compound identification of the wild-type THF class-II riboswitch.
Nucleic Acids Res., 2024
8XZP
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BU of 8xzp by Molmil
Crystal structure of folE riboswitch with 8-CH3 Guanine
分子名称: 2-azanyl-8-methyl-1,9-dihydropurin-6-one, MAGNESIUM ION, RNA (53-MER), ...
著者Li, C.Y, Ren, A.M.
登録日2024-01-21
公開日2024-07-24
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structure-based characterization and compound identification of the wild-type THF class-II riboswitch.
Nucleic Acids Res., 2024
8XZR
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BU of 8xzr by Molmil
Crystal structure of folE riboswitch with 8-NH2 Guanine
分子名称: 8-AMINOGUANINE, MAGNESIUM ION, RNA (53-MER), ...
著者Li, C.Y, Ren, A.M.
登録日2024-01-21
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structure-based characterization and compound identification of the wild-type THF class-II riboswitch.
Nucleic Acids Res., 2024
8XZK
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BU of 8xzk by Molmil
Crystal structure of folE riboswitch
分子名称: RNA (53-MER)
著者Li, C.Y, Ren, A.M.
登録日2024-01-21
公開日2024-07-24
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Structure-based characterization and compound identification of the wild-type THF class-II riboswitch.
Nucleic Acids Res., 2024
8XZQ
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BU of 8xzq by Molmil
Crystal structure of folE riboswitch with 8-N Guanine
分子名称: 5-AMINO-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL, MAGNESIUM ION, RNA (53-MER), ...
著者Li, C.Y, Ren, A.M.
登録日2024-01-21
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structure-based characterization and compound identification of the wild-type THF class-II riboswitch.
Nucleic Acids Res., 2024
8XZL
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BU of 8xzl by Molmil
Crystal structure of folE riboswitch with DHF
分子名称: DIHYDROFOLIC ACID, MAGNESIUM ION, RNA (53-MER), ...
著者Li, C.Y, Ren, A.M.
登録日2024-01-21
公開日2024-07-24
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structure-based characterization and compound identification of the wild-type THF class-II riboswitch.
Nucleic Acids Res., 2024
8XZW
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BU of 8xzw by Molmil
Crystal structure of THF-II riboswitch with THF and soaked with Ir
分子名称: (6S)-5,6,7,8-TETRAHYDROFOLATE, MAGNESIUM ION, RNA (53-MER), ...
著者Li, C.Y, Ren, A.M.
登録日2024-01-21
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structure-based characterization and compound identification of the wild-type THF class-II riboswitch.
Nucleic Acids Res., 2024
8XZN
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BU of 8xzn by Molmil
Crystal structure of folE riboswitch with BH4
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, MAGNESIUM ION, RNA (53-MER), ...
著者Li, C.Y, Ren, A.M.
登録日2024-01-21
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure-based characterization and compound identification of the wild-type THF class-II riboswitch.
Nucleic Acids Res., 2024
8XZM
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BU of 8xzm by Molmil
Crystal structure of folE riboswitch with DHN
分子名称: 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE, MAGNESIUM ION, RNA (53-MER), ...
著者Li, C.Y, Ren, A.M.
登録日2024-01-21
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure-based characterization and compound identification of the wild-type THF class-II riboswitch.
Nucleic Acids Res., 2024
8XZO
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BU of 8xzo by Molmil
Crystal structure of folE riboswitch with Guanine
分子名称: GUANINE, MAGNESIUM ION, RNA (53-MER), ...
著者Li, C.Y, Ren, A.M.
登録日2024-01-21
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure-based characterization and compound identification of the wild-type THF class-II riboswitch.
Nucleic Acids Res., 2024
8B75
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BU of 8b75 by Molmil
CRYSTAL STRUCTURE OF HUMAN SOLUBLE ADENYLYL CYCLASE IN COMPLEX WITH THE INHIBITOR TDI-011861
分子名称: Adenylate cyclase type 10, [(3~{R})-4-[2-[2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-[bis(fluoranyl)methyl]pyrazol-4-yl]methyl]phenoxy]ethyl]morpholin-3-yl]methanol
著者Steegborn, C, Kehr, M.
登録日2022-09-28
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Design, Synthesis, and Pharmacological Evaluation of Second-Generation Soluble Adenylyl Cyclase (sAC, ADCY10) Inhibitors with Slow Dissociation Rates.
J.Med.Chem., 65, 2022
4BIT
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BU of 4bit by Molmil
solution structure of cerebral dopamine neurotrophic factor (CDNF)
分子名称: CEREBRAL DOPAMINE NEUROTROPHIC FACTOR
著者Latge, C, Cabral, K.M.S, Raymundo, D.P, Foguel, D, Herrmann, T, Almeida, M.S.
登録日2013-04-13
公開日2014-04-23
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献The Solution Structure and Dynamics of Full-Length Human Cerebral Dopamine Neurotrophic Factor and its Neuroprotective Role Against Alpha-Synuclein Oligomers.
J.Biol.Chem., 290, 2015
6TQL
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BU of 6tql by Molmil
Cryo-EM of elastase-treated human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-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)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Stsiapanava, A, Xu, C, Carroni, M, Wu, B, Jovine, L.
登録日2019-12-16
公開日2020-11-04
最終更新日2021-03-03
実験手法ELECTRON MICROSCOPY (3.96 Å)
主引用文献Cryo-EM structure of native human uromodulin, a zona pellucida module polymer.
Embo J., 39, 2020
6TQK
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BU of 6tqk by Molmil
Cryo-EM of native human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament.
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, Uromodulin, ...
著者Stsiapanava, A, Xu, C, Carroni, M, Wu, B, Jovine, L.
登録日2019-12-16
公開日2020-11-04
最終更新日2021-03-03
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Cryo-EM structure of native human uromodulin, a zona pellucida module polymer.
Embo J., 39, 2020
4ZS6
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BU of 4zs6 by Molmil
Receptor binding domain and Fab complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S protein, fab Heavy Chain, ...
著者Yu, X, Wang, X.
登録日2015-05-13
公開日2015-09-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.166 Å)
主引用文献Structural basis for the neutralization of MERS-CoV by a human monoclonal antibody MERS-27
Sci Rep, 5, 2015
8H7Z
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BU of 8h7z by Molmil
Cryo-EM structure of SARS-CoV-2 BA.2 RBD in complex with BA7535 fab (local refinement)
分子名称: BA7535 fab, Spike glycoprotein
著者Liu, Z, Yan, A, Gao, Y.
登録日2022-10-21
公開日2023-08-30
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Identification of a highly conserved neutralizing epitope within the RBD region of diverse SARS-CoV-2 variants.
Nat Commun, 15, 2024
8H7L
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BU of 8h7l by Molmil
Cryo-EM Structure of SARS-CoV-2 BA.2 Spike protein in complex with BA7535
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, BA7535 fab heavt chain, ...
著者Liu, Z, Yan, A, Gao, Y.
登録日2022-10-20
公開日2023-08-30
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (2.44 Å)
主引用文献Identification of a highly conserved neutralizing epitope within the RBD region of diverse SARS-CoV-2 variants.
Nat Commun, 15, 2024

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