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7MZI
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BU of 7mzi by Molmil
SARS-CoV-2 receptor binding domain bound to Fab WCSL 129
分子名称: GLYCEROL, Spike protein S1, TETRAETHYLENE GLYCOL, ...
著者Pymm, P, Tan, L.L, Dietrich, M.H, Chan, L.J, Tham, W.H.
登録日2021-05-24
公開日2021-10-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Landscape of human antibody recognition of the SARS-CoV-2 receptor binding domain.
Cell Rep, 37, 2021
7NHG
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BU of 7nhg by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound ASI_M3M_041
分子名称: ACETATE ION, N-[[(3R)-3-Hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-02-10
公開日2021-10-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
6WZM
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LY3041658 Fab bound to CXCL8
分子名称: 1,2-ETHANEDIOL, Interleukin-8, LY3041658 Fab heavy chain, ...
著者Durbin, J.D, Druzina, Z.
登録日2020-05-14
公開日2020-11-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery and characterization of a neutralizing pan-ELR+CXC chemokine monoclonal antibody.
Mabs, 12
7NHV
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Crystal structure of the human METTL3-METTL14 complex with compound UOZ016
分子名称: (R)-N-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-((4,4-dimethylpiperidin-1-yl)methyl)benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-02-11
公開日2021-10-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7NHH
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Crystal structure of the human METTL3-METTL14 complex with compound UOZ002
分子名称: (R)-N-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide, ACETATE ION, MAGNESIUM ION, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-02-10
公開日2021-10-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7NI7
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Crystal structure of the human METTL3-METTL14 complex with compound UOZ031
分子名称: (R)-4-((4,4-dimethylpiperidin-1-yl)methyl)-2-hydroxy-N-((3-hydroxy-1-(6-((3-(methylcarbamoyl)benzyl)amino)pyrimidin-4-yl)piperidin-3-yl)methyl)benzamide, ACETATE ION, MAGNESIUM ION, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-02-11
公開日2021-10-20
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
4WIQ
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BU of 4wiq by Molmil
The structure of Murine alpha-Dystroglycan T190M mutant N-terminal domain.
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Dystroglycan
著者Brancaccio, A, Lamba, D, Cassetta, A, Bozzi, M, Covaceuszach, S, Sciandra, F, Bigotti, M.G.
登録日2014-09-26
公開日2015-05-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献The Structure of the T190M Mutant of Murine alpha-Dystroglycan at High Resolution: Insight into the Molecular Basis of a Primary Dystroglycanopathy.
Plos One, 10, 2015
184D
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SELF-ASSOCIATION OF A DNA LOOP CREATES A QUADRUPLEX: CRYSTAL STRUCTURE OF D(GCATGCT) AT 1.8 ANGSTROMS RESOLUTION
分子名称: DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3'), MAGNESIUM ION
著者Leonard, G.A, Zhang, S, Peterson, M.R, Harrop, S.J, Helliwell, J.R, Cruse, W.B.T, Langlois D'Estaintot, B, Kennard, O, Brown, T, Hunter, W.N.
登録日1994-08-10
公開日1995-07-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Self-association of a DNA loop creates a quadruplex: crystal structure of d(GCATGCT) at 1.8 A resolution.
Structure, 3, 1995
7NL7
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Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand
分子名称: 3-Aminopropyl 2-deoxy-2-(4-phenyl-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside, CALCIUM ION, DC-SIGN, ...
著者Jakob, R.P, Cramer, J, Lakkaichi, A, Aliu, B, Cattaneo, I, Klein, S, Jiang, X, Rabbani, S, Schwardt, O, Ernst, B, Maier, T.
登録日2021-02-22
公開日2021-10-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2.
J.Am.Chem.Soc., 143, 2021
4X91
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Crystal structure of Lysosomal Phospholipase A2 in complex with Isopropyl dodec-11-enylfluorophosphonate (IDFP)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Glukhova, A, Tesmer, J.J.G.
登録日2014-12-11
公開日2015-03-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and function of lysosomal phospholipase A2 and lecithin:cholesterol acyltransferase.
Nat Commun, 6, 2015
7NL6
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BU of 7nl6 by Molmil
Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand
分子名称: CALCIUM ION, DC-SIGN, CRD domain, ...
著者Jakob, R.P, Cramer, J, Lakkaichi, A, Aliu, B, Cattaneo, I, Klein, S, Jiang, X, Rabbani, S, Schwardt, O, Ernst, B, Maier, T.
登録日2021-02-22
公開日2021-10-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2.
J.Am.Chem.Soc., 143, 2021
4WF1
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BU of 4wf1 by Molmil
Crystal structure of the E. coli ribosome bound to negamycin.
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Olivier, N.B, Altman, R.B, Noeske, J, Basarab, G.S, Code, E, Ferguson, A.D, Gao, N, Huang, J, Juette, M.F, Livchak, S, Miller, M.D, Prince, D.B, Cate, J.H.D, Buurman, E.T, Blanchard, S.C.
登録日2014-09-11
公開日2014-11-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Negamycin induces translational stalling and miscoding by binding to the small subunit head domain of the Escherichia coli ribosome.
Proc.Natl.Acad.Sci.USA, 111, 2014
7NL4
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BU of 7nl4 by Molmil
OsNIP2;1 silicon transporter from rice
分子名称: Aquaporin NIP2-1, CADMIUM ION
著者van den Berg, B.
登録日2021-02-22
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Basis for Silicic Acid Uptake by Higher Plants.
J.Mol.Biol., 433, 2021
7OY5
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BU of 7oy5 by Molmil
Crystal structure of GSK3Beta in complex with ARN25068
分子名称: CHLORIDE ION, Glycogen synthase kinase-3 beta, ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
著者Tripathi, S.K, Balboni, B, Demuro, S, DiMartino, R, Giabbai, B, Storici, P, Ortega, J, Girotto, S, Cavalli, A.
登録日2021-06-23
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献ARN25068, a versatile starting point towards triple GSK-3 beta /FYN/DYRK1A inhibitors to tackle tau-related neurological disorders.
Eur.J.Med.Chem., 229, 2022
4WT2
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BU of 4wt2 by Molmil
Co-crystal Structure of MDM2 in Complex with AM-7209
分子名称: 4-({[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetyl}amino)-2-methoxybenzoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M.
登録日2014-10-30
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Discovery of AM-7209, a Potent and Selective 4-Amidobenzoic Acid Inhibitor of the MDM2-p53 Interaction.
J.Med.Chem., 57, 2014
8YU4
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BU of 8yu4 by Molmil
Structure of cyclohexanone monooxygenase mutant from Acinetobacter calcoaceticus
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Putative flavin-binding monooxygenase
著者Qiang, G, Zheng, Y.C, Feng, L, Yu, H.L.
登録日2024-03-26
公開日2025-03-26
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Loop Engineering Facilitates the Nicotinamide Cofactors Utilization of BVMOs
To Be Published
8G20
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Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with inhibitor Mz327
分子名称: 1,2-ETHANEDIOL, 4-[(N-butylpentanamido)methyl]-N-hydroxybenzamide, ETHANOL, ...
著者Tararina, M.A, Christianson, D.W.
登録日2023-02-03
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.766 Å)
主引用文献Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation.
J.Med.Chem., 66, 2023
4X55
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BU of 4x55 by Molmil
Structure of the class D Beta-Lactamase OXA-225 K82D in Acyl-Enzyme Complex with Ceftazidime
分子名称: 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, Beta-lactamase OXA-225
著者Clasman, J.R, June, C.M, Powers, R.A, Leonard, D.A.
登録日2014-12-04
公開日2015-03-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.941 Å)
主引用文献Structural Basis of Activity against Aztreonam and Extended Spectrum Cephalosporins for Two Carbapenem-Hydrolyzing Class D beta-Lactamases from Acinetobacter baumannii.
Biochemistry, 54, 2015
4P3U
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BU of 4p3u by Molmil
Crystal structure of the bacterial A1408U-mutant ribosomal decoding site (C2 form 1)
分子名称: 5'-R(*UP*UP*GP*CP*GP*UP*CP*UP*CP*GP*(5BU)P*CP*GP*AP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3'
著者Kondo, J, Koganei, M.
登録日2014-03-10
公開日2016-05-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of the bacterial A1408U-mutant ribosomal decoding site (C2 form 1)
To Be Published
4WRE
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BU of 4wre by Molmil
Crystal Structure of Surfactant Protein-A DEDN Mutant (E171D/P175E/R197N/K203D) Complexed with Inositol
分子名称: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, CALCIUM ION, CHLORIDE ION, ...
著者Rynkiewicz, M.J, Wu, H, Cafarella, T.R, Nikolaidis, N.M, Head, J.F, Seaton, B.A, McCormack, F.X.
登録日2014-10-23
公開日2016-02-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Differential ligand binding specificities of the pulmonary collectins are determined by the conformational freedom of a surface loop
To be published
8PSX
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BU of 8psx by Molmil
Tilapia Lake Virus polymerase in vRNA elongation state (transcriptase conformation)
分子名称: 5' vRNA end - vRNA loop (40-mer), MAGNESIUM ION, Polymerase acidic protein (PA-like), ...
著者Arragain, B, Cusack, S.
登録日2023-07-13
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Structural and functional analysis of the minimal orthomyxovirus-like polymerase of Tilapia Lake Virus from the highly diverged Amnoonviridae family.
Nat Commun, 14, 2023
8FKJ
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BU of 8fkj by Molmil
Yeast ATP Synthase in conformation-3, at pH 6
分子名称: ATP synthase protein 8, ATP synthase subunit 4, mitochondrial, ...
著者Sharma, S, Patel, H, Luo, M, Mueller, D.M, Liao, M.
登録日2022-12-21
公開日2024-01-24
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Conformational ensemble of yeast ATP synthase at low pH reveals unique intermediates and plasticity in F 1 -F o coupling.
Nat.Struct.Mol.Biol., 31, 2024
4WY0
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BU of 4wy0 by Molmil
PdxS (G. stearothermophilus) co-crystallized with R5P in the presence of ammonia.
分子名称: 1,2-ETHANEDIOL, CACODYLATE ION, PHOSPHATE ION, ...
著者Smith, J.L, Smith, A.M.
登録日2014-11-14
公開日2015-01-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures capture three states in the catalytic cycle of a pyridoxal phosphate (PLP) synthase.
J.Biol.Chem., 290, 2015
4WZT
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BU of 4wzt by Molmil
Crystal structure of P domain from norovirus strain NSW0514 in complex with HBGA type A (triglycan)
分子名称: 1,2-ETHANEDIOL, VP1, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]alpha-D-galactopyranose
著者Singh, B.K, Hansman, G.S.
登録日2014-11-20
公開日2014-12-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Human noroviruses' fondness for histo-blood group antigens.
J.Virol., 89, 2015
8PSZ
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Tilapia Lake Virus polymerase in vRNA elongation state with additional mode B promoter (transcriptase conformation)
分子名称: 5' vRNA end - vRNA loop (40-mer), MAGNESIUM ION, Polymerase acidic protein (PA-like), ...
著者Arragain, B, Cusack, S.
登録日2023-07-13
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (2.42 Å)
主引用文献Structural and functional analysis of the minimal orthomyxovirus-like polymerase of Tilapia Lake Virus from the highly diverged Amnoonviridae family.
Nat Commun, 14, 2023

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