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8HC8
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BU of 8hc8 by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with YB13-292 Fab, focused refinement of Fab region
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB13-292 Fab, Light chain of YB13-292 Fab, ...
著者Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
登録日2022-11-01
公開日2023-01-25
最終更新日2023-05-03
実験手法ELECTRON MICROSCOPY (3.95 Å)
主引用文献Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
8HC7
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BU of 8hc7 by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) complex with YB9-258 Fab, focused refinement of RBD-dimer region
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain variable region of YB9-258, Light chain variable region of YB9-258, ...
著者Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
登録日2022-11-01
公開日2023-01-25
最終更新日2023-05-03
実験手法ELECTRON MICROSCOPY (4.54 Å)
主引用文献Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
8HC6
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BU of 8hc6 by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with YB9-258 Fab, focused refinement of Fab region
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB9-258 Fab, Light chain of YB9-258, ...
著者Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
登録日2022-11-01
公開日2023-01-25
最終更新日2023-05-03
実験手法ELECTRON MICROSCOPY (4.69 Å)
主引用文献Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
3MEE
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BU of 3mee by Molmil
HIV-1 Reverse Transcriptase in Complex with TMC278
分子名称: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, SULFATE ION, p51 Reverse transcriptase, ...
著者Lansdon, E.B.
登録日2010-03-31
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design.
J.Med.Chem., 53, 2010
5L3F
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BU of 5l3f by Molmil
LSD1-CoREST1 in complex with polymyxin B
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, Polmyxin B, ...
著者Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A.
登録日2016-04-10
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features.
Sci Adv, 2, 2016
2AQU
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BU of 2aqu by Molmil
Structure of HIV-1 protease bound to atazanavir
分子名称: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, HIV-1 Protease
著者Clemente, J.C, Coman, R.M, Thiaville, M.M, Janka, L.K, Jeung, J.A, Nukoolkarn, S, Govindasamy, L, Agbandje-McKenna, M, McKenna, R, Leelamanit, W, Goodenow, M.M, Dunn, B.M.
登録日2005-08-18
公開日2006-08-29
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Analysis of HIV-1 CRF_01 A/E protease inhibitor resistance: structural determinants for maintaining sensitivity and developing resistance to atazanavir.
Biochemistry, 45, 2006
3MEG
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BU of 3meg by Molmil
HIV-1 K103N Reverse Transcriptase in Complex with TMC278
分子名称: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, SULFATE ION, p51 Reverse transcriptase, ...
著者Lansdon, E.B.
登録日2010-03-31
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design.
J.Med.Chem., 53, 2010
1RDP
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BU of 1rdp by Molmil
Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV3
分子名称: 1,3-BIS-([[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBU TENYL]-AMINO-ETHYL]-AMINO-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TRIETHYLENE GLYCOL, ...
著者Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E.
登録日2003-11-05
公開日2004-10-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
3MEC
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BU of 3mec by Molmil
HIV-1 Reverse Transcriptase in Complex with TMC125
分子名称: 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, SULFATE ION, p51 Reverse transcriptase, ...
著者Lansdon, E.B.
登録日2010-03-31
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design.
J.Med.Chem., 53, 2010
2M0H
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BU of 2m0h by Molmil
SP-B C-terminal (residues 59-80) peptide in methanol
分子名称: Pulmonary surfactant-associated protein B
著者Kuznetsova, A, Long, J.R.
登録日2012-10-25
公開日2014-04-23
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR structures of the C-terminal segment of surfactant protein B (residues 59-80) in DPC detergent micelles and methanol.
To be Published
8SWH
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BU of 8swh by Molmil
Local refinement of SARS-CoV-2 (HP-GSAS-Mut7) spike NTD in complex with TXG-0078 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TXG-0078 Fab Heavy chain, ...
著者Bangaru, B, Ward, A.
登録日2023-05-18
公開日2024-05-22
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Deep repertoire mining uncovers ultra-broad coronavirus neutralizing antibodies targeting multiple spike epitopes.
Cell Rep, 43, 2024
4V3L
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BU of 4v3l by Molmil
RNF38-UB-UbcH5B-Ub complex
分子名称: 1,2-ETHANEDIOL, E3 UBIQUITIN-PROTEIN LIGASE RNF38, POLYUBIQUITIN-C, ...
著者Buetow, L, Gabrielsen, M, Anthony, N.G, Dou, H, Patel, A, Aitkenhead, H, Sibbet, G.J, Smith, B.O, Huang, D.T.
登録日2014-10-20
公開日2015-04-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Activation of a Primed Ring E3-E2-Ubiquitin Complex by Non-Covalent Ubiquitin.
Mol.Cell, 58, 2015
3LYR
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BU of 3lyr by Molmil
Human Early B-cell Factor 1 (EBF1) DNA-binding domain
分子名称: AMMONIUM ION, SULFATE ION, Transcription factor COE1, ...
著者Siponen, M.I, Wisniewska, M, Arrowsmith, C.H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kraulis, P, Kotenyova, T, Markova, N, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schuler, H, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Berglund, H, Structural Genomics Consortium (SGC)
登録日2010-02-28
公開日2010-03-16
最終更新日2014-10-08
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural Determination of Functional Domains in Early B-cell Factor (EBF) Family of Transcription Factors Reveals Similarities to Rel DNA-binding Proteins and a Novel Dimerization Motif.
J.Biol.Chem., 285, 2010
5KZI
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BU of 5kzi by Molmil
Crystal structure of human Pim-1 kinase in complex with an imidazopyridazine inhibitor.
分子名称: Serine/threonine-protein kinase pim-1, ~{N}-[4-[(3~{S})-3-azanylpiperidin-1-yl]pyridin-3-yl]-2-[2,6-bis(fluoranyl)phenyl]imidazo[1,5-b]pyridazin-7-amine
著者Mohr, C.
登録日2016-07-25
公開日2016-11-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of imidazopyridazines as potent Pim-1/2 kinase inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
5KR0
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BU of 5kr0 by Molmil
Protease E35D-APV
分子名称: GLYCEROL, Protease E35D-APV, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
著者Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E.
登録日2016-07-06
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
5KR2
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BU of 5kr2 by Molmil
Protease PR5-SQV
分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease PR5-SQV
著者Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E.
登録日2016-07-06
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
2YYY
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BU of 2yyy by Molmil
Crystal structure of Glyceraldehyde-3-phosphate dehydrogenase
分子名称: Glyceraldehyde-3-phosphate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Malay, A.D, Bessho, Y, Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-05-02
公開日2007-11-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of glyceraldehyde-3-phosphate dehydrogenase from the archaeal hyperthermophile Methanocaldococcus jannaschii.
Acta Crystallogr.,Sect.F, 65, 2009
6QZQ
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BU of 6qzq by Molmil
Crystal structure of Csx1 from Sulfolobus islandicus monoclinic form
分子名称: CRISPR-associated (Cas) DxTHG family
著者Molina, R, Montoya, G, Sofos, N, Stella, S.
登録日2019-03-12
公開日2020-01-22
最終更新日2020-08-05
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structure of Csx1-cOA4complex reveals the basis of RNA decay in Type III-B CRISPR-Cas.
Nat Commun, 10, 2019
4KGB
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BU of 4kgb by Molmil
Structure of succinyl-CoA: 3-ketoacid CoA transferase from Drosophila melanogaster
分子名称: SULFATE ION, Succinyl-CoA:3-ketoacid-coenzyme A transferase
著者Wang, Y.C, Shi, Z.B, Zhang, M.
登録日2013-04-29
公開日2013-10-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structure of succinyl-CoA:3-ketoacid CoA transferase from Drosophila melanogaster.
Acta Crystallogr.,Sect.F, 69, 2013
1R4H
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BU of 1r4h by Molmil
NMR Solution structure of the IIIc domain of GB Virus B IRES Element
分子名称: 5'-R(*GP*GP*GP*CP*AP*AP*GP*CP*CP*C)-3'
著者Kaluarachchi, K, Thiviyanathan, V, Rijinbrand, R, Lemon, S.M, Gorenstein, D.G.
登録日2003-10-06
公開日2004-10-19
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Mutational and structural analysis of stem-loop IIIC of the hepatitis C virus and GB virus B internal ribosome entry sites.
J.Mol.Biol., 343, 2004
4V3K
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BU of 4v3k by Molmil
RNF38-UbcH5B-UB complex
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE RNF38, ...
著者Buetow, L, Gabrielsen, M, Anthony, N.G, Dou, H, Patel, A, Aitkenhead, H, Sibbet, G.J, Smith, B.O, Huang, D.T.
登録日2014-10-20
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Activation of a Primed Ring E3-E2-Ubiquitin Complex by Non-Covalent Ubiquitin.
Mol.Cell, 58, 2015
6QZT
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BU of 6qzt by Molmil
Crystal structure of Csx1 from Sulfolobus islandicus orthorhombic form
分子名称: CRISPR-associated (Cas) DxTHG family
著者Molina, R, Montoya, G, Sofos, N, Stella, S.
登録日2019-03-12
公開日2019-10-02
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Structure of Csx1-cOA4complex reveals the basis of RNA decay in Type III-B CRISPR-Cas.
Nat Commun, 10, 2019
5KQX
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BU of 5kqx by Molmil
Protease E35D-SQV
分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease E35D-SQV
著者Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E.
登録日2016-07-06
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
5A8N
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BU of 5a8n by Molmil
Crystal structure of the native form of beta-glucanase SdGluc5_26A from Saccharophagus degradans
分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
著者Sulzenbacher, G, Lafond, M, Freyd, T, Henrissat, B, Coutinho, R.M, Berrin, J.G, Garron, M.L.
登録日2015-07-16
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The Quaternary Structure of a Glycoside Hydrolase Dictates Specificity Towards Beta-Glucans
J.Biol.Chem., 291, 2016
2M1T
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BU of 2m1t by Molmil
SP-B C-terminal (residues 59-80) peptide in DPC micelles
分子名称: Pulmonary surfactant-associated protein B
著者Kuznetsova, A, Vanni, J, Long, J.
登録日2012-12-06
公開日2013-12-18
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution NMR structures of the C-terminal segment of surfactant protein B (residues 59-80) in DPC detergent micelles and methanol.
To be Published

223790

件を2024-08-14に公開中

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