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PDB: 52161 件

8YHR
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DHODH in complex with furocoumavirin
分子名称: 4-methyl-8-[(S)-oxidanyl(phenyl)methyl]-9-phenyl-furo[2,3-h]chromen-2-one, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Hara, K, Okumura, H, Nakahara, M, Sato, M, Hashimoto, H, Osada, H, Watanabe, K.
登録日2024-02-28
公開日2024-05-22
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and Functional Analyses of Inhibition of Human Dihydroorotate Dehydrogenase by Antiviral Furocoumavirin.
Biochemistry, 63, 2024
8IP8
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Wheat 80S ribosome stalled on AUG-Stop boron dependently
分子名称: 18S ribosomal RNA, 40S ribosomal protein eL8, 40S ribosomal protein eS1, ...
著者Yokoyama, T, Tanaka, M, Saito, H, Nishimoto, M, Tsuda, K, Sotta, N, Shigematsu, H, Shirouzu, M, Iwasaki, S, Ito, T, Fujiwara, T.
登録日2023-03-14
公開日2024-02-21
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Boric acid intercepts 80S ribosome migration from AUG-stop by stabilizing eRF1.
Nat.Chem.Biol., 20, 2024
4V5I
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Structure of the Phage P2 Baseplate in its Activated Conformation with Ca
分子名称: CALCIUM ION, ORF15, ORF16, ...
著者Sciara, G, Bebeacua, C, Bron, P, Tremblay, D, Ortiz-Lombardia, M, Lichiere, J, van Heel, M, Campanacci, V, Moineau, S, Cambillau, C.
登録日2010-02-05
公開日2014-07-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (5.464 Å)
主引用文献Structure of Lactococcal Phage P2 Baseplate and its Mechanism of Activation.
Proc.Natl.Acad.Sci.USA, 107, 2010
6EI5
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Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
分子名称: Heat shock protein HSP 90-alpha, [2-azanyl-6-[2-(methylaminomethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
著者Musil, D, Lehmann, M, Eggenweiler, H.-M.
登録日2017-09-17
公開日2018-05-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
5IXS
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Lactate Dehydrogenase in complex with hydroxylactam inhibitor compound 9: (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one
分子名称: (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one, 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Ultsch, M, Eigenbrot, C.
登録日2016-03-23
公開日2016-09-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice.
Acs Med.Chem.Lett., 7, 2016
2Q0Q
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Structure of the Native M. Smegmatis Aryl Esterase
分子名称: GLYCEROL, SULFATE ION, aryl esterase
著者Mathews, I.I, Soltis, M, Saldajeno, M, Ganshaw, G, Sala, R, Weyler, W, Cervin, M.A, Whited, G, Bott, R.
登録日2007-05-22
公開日2007-12-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of a novel enzyme that catalyzes acyl transfer to alcohols in aqueous conditions.
Biochemistry, 46, 2007
5IYV
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Crystal structure of the Arabidopsis receptor kinase HAESA LRR ectdomain in complex with the peptide hormone IDL1.
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Santiago, J, Hothorn, M.
登録日2016-03-24
公開日2016-04-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Mechanistic insight into a peptide hormone signaling complex mediating floral organ abscission.
Elife, 5, 2016
4UV0
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Structure of a semisynthetic phosphorylated DAPK
分子名称: DEATH-ASSOCIATED PROTEIN KINASE 1, TRIETHYLENE GLYCOL
著者de Diego, I, Rios, P, Meyer, C, Koehn, M, Wilmanns, M.
登録日2014-08-01
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Molecular Mechanisms Behind Dapk Regulation: How the Phosphorylation Activity Switch Works
To be Published
2Q9P
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Human diphosphoinositol polyphosphate phosphohydrolase 1, Mg-F complex
分子名称: CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, FLUORIDE ION, ...
著者Thorsell, A.G, Busam, R, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nordlund, P, Nyman, T, Ogg, D, Sagemark, J, Sundstrom, M, Van den Berg, S, Weigelt, J, Welin, M, Persson, C, Hallberg, B.M, Structural Genomics Consortium (SGC)
登録日2007-06-13
公開日2007-09-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of human diphosphoinositol phosphatase 1.
Proteins, 77, 2009
3KAT
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BU of 3kat by Molmil
Crystal Structure of the CARD domain of the human NLRP1 protein, Northeast Structural Genomics Consortium Target HR3486E
分子名称: NACHT, LRR and PYD domains-containing protein 1
著者Forouhar, F, Abashidze, M, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Shastry, R, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2009-10-19
公開日2009-10-27
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Northeast Structural Genomics Consortium Target HR3486E
To be Published
3BUH
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BACE-1 complexed with compound 4
分子名称: 4-(2-aminoethyl)-2-cyclohexylphenol, beta-secretase 1
著者Kuglstatter, A, Hennig, M.
登録日2008-01-02
公開日2008-03-11
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tyramine fragment binding to BACE-1
Bioorg.Med.Chem.Lett., 18, 2008
1HAJ
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BU of 1haj by Molmil
A beta-Hairpin Structure in a 13-mer Peptide that Binds a-Bungarotoxin with High Affinity and Neutralizes its Toxicity
分子名称: ALPHA-BUNGAROTOXIN, PEPTIDE
著者Scherf, T, Kasher, R, Balass, M, Fridkin, M, Fuchs, S, Katchalski-Katzir, E.
登録日2001-04-05
公開日2001-05-25
最終更新日2024-10-23
実験手法SOLUTION NMR
主引用文献A Beta-Hairpin Structure in a 13-mer Peptide that Binds Alpha-Bungarotoxin with High Affinity and Neutralizes its Toxicity
Proc.Natl.Acad.Sci.USA, 98, 2001
5J2X
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BU of 5j2x by Molmil
Crystal Structure of Hsp90-alpha N-domain in complex with 5-(5-Bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one
分子名称: 5-(5-Bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one, Heat shock protein HSP 90-alpha
著者Amaral, M, Matias, P.
登録日2016-03-30
公開日2017-12-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5IXQ
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BU of 5ixq by Molmil
Crystal structure of the Arabidopsis receptor kinase HAESA LRR ectdomain in complex with the peptide hormone IDA.
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Santiago, J, Hothorn, M.
登録日2016-03-23
公開日2016-04-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Mechanistic insight into a peptide hormone signaling complex mediating floral organ abscission.
Elife, 5, 2016
5JGH
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BU of 5jgh by Molmil
Crystal structure of the mitochondrial DNA packaging protein Abf2p in complex with DNA at 2.6 Angstrom resolution
分子名称: ACETATE ION, ARS-binding factor 2, mitochondrial, ...
著者Chakraborty, A, Lyonnais, S, Sola, M.
登録日2016-04-20
公開日2017-02-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献DNA structure directs positioning of the mitochondrial genome packaging protein Abf2p.
Nucleic Acids Res., 45, 2017
4W8V
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Crystal structure of Cmr6 from Pyrococcus furiosus
分子名称: CRISPR system Cmr subunit Cmr6
著者Benda, C, Ebert, J, Baumgaertner, M, Conti, E.
登録日2014-08-26
公開日2014-10-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural Model of a CRISPR RNA-Silencing Complex Reveals the RNA-Target Cleavage Activity in Cmr4.
Mol.Cell, 56, 2014
4W94
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Crystal structure of cross-linked tetragonal hen egg white lysozyme soaked with 5mM [Ru(CO)3Cl2]2
分子名称: CHLORIDE ION, DIMETHYLFORMAMIDE, Lysozyme C, ...
著者Tabe, H, Fujita, K, Abe, S, Tsujimoto, M, Kuchimaru, T, Kizaka-Kondo, S, Takano, M, Kitagawa, S, Ueno, T.
登録日2014-08-27
公開日2014-12-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Preparation of a Cross-Linked Porous Protein Crystal Containing Ru Carbonyl Complexes as a CO-Releasing Extracellular Scaffold
Inorg.Chem., 54, 2015
5IYX
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Crystal structure of the Arabidopsis receptor kinase HAESA in complex with the peptide hormone IDA and the co-receptor SERK1
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Santiago, J, Hothorn, M.
登録日2016-03-24
公開日2016-04-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Mechanistic insight into a peptide hormone signaling complex mediating floral organ abscission.
Elife, 5, 2016
5WPB
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BU of 5wpb by Molmil
Crystal structure of fragment 3-(3-(pyridin-2-ylmethoxy)quinoxalin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
分子名称: 3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
著者Harding, R.J, Tempel, W, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2017-08-04
公開日2017-08-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
J. Med. Chem., 60, 2017
5JDT
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Structure of Spin-labelled T4 lysozyme mutant L118C-R1 at 100K
分子名称: AZIDE ION, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Loll, B, Consentius, P, Gohlke, U, Mueller, R, Kaupp, M, Heinemann, U, Wahl, M.C, Risse, T.
登録日2016-04-17
公開日2016-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Tracking Transient Conformational States of T4 Lysozyme at Room Temperature Combining X-ray Crystallography and Site-Directed Spin Labeling.
J.Am.Chem.Soc., 138, 2016
2ACK
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ACETYLCHOLINESTERASE COMPLEXED WITH EDROPHONIUM, MONOCHROMATIC DATA
分子名称: ACETYLCHOLINESTERASE, EDROPHONIUM ION
著者Raves, M.L, Sussman, J.L, Harel, M, Silman, I.
登録日1997-10-29
公開日1998-02-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Static Laue diffraction studies on acetylcholinesterase.
Acta Crystallogr.,Sect.D, 54, 1998
7X93
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The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab765
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, Ab765 heavy chain, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2023-03-22
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Potent neutralizing broad-spectrum antibody against SARS-CoV-2 generated from dual-antigen-specific B cells from convalescents.
Iscience, 26, 2023
7X95
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The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab709
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab709 heavy chain, Ab709 light chain, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2023-03-22
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Potent neutralizing broad-spectrum antibody against SARS-CoV-2 generated from dual-antigen-specific B cells from convalescents.
Iscience, 26, 2023
4UUR
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BU of 4uur by Molmil
Cold-adapted truncated hemoglobin from the Antarctic marine bacterium Pseudoalteromonas haloplanktis TAC125
分子名称: PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE HEMOGLOBIN-LIKE OXYGEN-BINDING PROTEIN
著者Pesce, A, Giordano, D, Riccio, A, Nardini, M, Caldelli, E, Howes, B, Bustamante, J.P, Boechi, L, Estrin, D, di Prisco, G, Smulevich, G, Verde, C, Bolognesi, M.
登録日2014-07-31
公開日2015-06-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structural Flexibility of the Heme Cavity in the Cold-Adapted Truncated Hemoglobin from the Antarctic Marine Bacterium Pseudoalteromonas Haloplanktis Tac125.
FEBS J., 282, 2015
7X94
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The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab712
分子名称: Ab712 heavy chain, Ab712 light chain, Spike glycoprotein, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2023-03-22
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Potent neutralizing broad-spectrum antibody against SARS-CoV-2 generated from dual-antigen-specific B cells from convalescents.
Iscience, 26, 2023

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