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8GQ9
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Crystal structure of lasso peptide epimerase MslH
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ...
著者Nakashima, Y, Morita, H.
登録日2022-08-29
公開日2023-06-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of lasso peptide epimerase MslH reveals metal-dependent acid/base catalytic mechanism.
Nat Commun, 14, 2023
8GQB
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Crystal structure of lasso peptide epimerase MslH D11A mutant
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Nakashima, Y, Morita, H.
登録日2022-08-29
公開日2023-06-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structure of lasso peptide epimerase MslH reveals metal-dependent acid/base catalytic mechanism.
Nat Commun, 14, 2023
3FB7
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Open KcsA potassium channel in the presence of Rb+ ion
分子名称: RUBIDIUM ION, Voltage-gated potassium channel, antibody fab fragment heavy chain, ...
著者Cuello, L.G, Jogini, V, Cortes, D.M, Pan, A.C, Gagnon, D.H, Cordero-Morales, J.F, Chakrapani, S, Roux, B, Perozo, E.
登録日2008-11-18
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Open KcsA potassium channel in the presence of Rb+ ion
TO BE PUBLISHED
3JBV
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Mechanisms of Ribosome Stalling by SecM at Multiple Elongation Steps
分子名称: 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
著者Zhang, J, Pan, X.J, Yan, K.G, Sun, S, Gao, N, Sui, S.F.
登録日2015-10-16
公開日2016-01-27
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Mechanisms of ribosome stalling by SecM at multiple elongation steps
Elife, 4, 2015
3JBU
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Mechanisms of Ribosome Stalling by SecM at Multiple Elongation Steps
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Zhang, J, Pan, X.J, Yan, K.G, Sun, S, Gao, N, Sui, S.F.
登録日2015-10-16
公開日2016-01-27
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Mechanisms of ribosome stalling by SecM at multiple elongation steps
Elife, 4, 2015
7BV6
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BU of 7bv6 by Molmil
Crystal structure of the autophagic STX17/SNAP29/VAMP8 SNARE complex
分子名称: Synaptosomal-associated protein 29, Syntaxin-17, Vesicle-associated membrane protein 8
著者Li, Y, Pan, L.F.
登録日2020-04-09
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Decoding three distinct states of the Syntaxin17 SNARE motif in mediating autophagosome-lysosome fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
7JRA
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BU of 7jra by Molmil
HUMAN TNF-ALPHA IN COMPLEX WITH 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol
分子名称: 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol, GLYCEROL, Tumor necrosis factor
著者Sheriff, S.
登録日2020-08-11
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biologic-like In Vivo Efficacy with Small Molecule Inhibitors of TNF alpha Identified Using Scaffold Hopping and Structure-Based Drug Design Approaches.
J.Med.Chem., 63, 2020
3UAJ
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Crystal structure of the envelope glycoprotein ectodomain from dengue virus serotype 4 in complex with the fab fragment of the chimpanzee monoclonal antibody 5H2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain, monoclonal antibody 5H2, ...
著者Cockburn, J.J.B, Stura, E.A, Navarro-Sanchez, M.E, Rey, F.A.
登録日2011-10-21
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.232 Å)
主引用文献Structural insights into the neutralization mechanism of a higher primate antibody against dengue virus.
Embo J., 31, 2012
3FOE
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Structural insight into the quinolone-DNA cleavage complex of type IIA topoisomerases
分子名称: 7-[(3R)-3-aminopyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA (5'-D(P*AP*CP*CP*AP*AP*GP*GP*TP*CP*AP*TP*GP*AP*AP*T)-3'), DNA (5'-D(P*AP*GP*TP*CP*AP*TP*TP*CP*AP*TP*GP*AP*CP*CP*TP*TP*GP*GP*T)-3'), ...
著者Laponogov, I, Sohi, M.K, Veselkov, D.A, Pan, X.-S, Sawhney, R, Thompson, A.W, McAuley, K.E, Fisher, L.M, Sanderson, M.R.
登録日2008-12-30
公開日2009-02-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (4.001 Å)
主引用文献Structural insight into the quinolone-DNA cleavage complex of type IIA topoisomerases
Nat.Struct.Mol.Biol., 16, 2009
5CJF
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The crystal structure of the human carbonic anhydrase XIV in complex with a 1,1'-biphenyl-4-sulfonamide inhibitor.
分子名称: 4'-(4-aminobenzoyl)biphenyl-4-sulfonamide, Carbonic anhydrase 14, GLYCEROL, ...
著者Alterio, V, De Simone, G.
登録日2015-07-14
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of 1,1'-Biphenyl-4-sulfonamides as a New Class of Potent and Selective Carbonic Anhydrase XIV Inhibitors.
J.Med.Chem., 58, 2015
3FOF
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Structural insight into the quinolone-DNA cleavage complex of type IIA topoisomerases
分子名称: 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA (5'-D(P*AP*CP*CP*AP*AP*GP*GP*TP*CP*AP*TP*GP*AP*AP*T)-3'), DNA (5'-D(P*AP*GP*TP*CP*AP*TP*TP*CP*AP*TP*GP*AP*CP*CP*TP*TP*GP*GP*T)-3'), ...
著者Laponogov, I, Sohi, M.K, Veselkov, D.A, Pan, X.-S, Sawhney, R, Thompson, A.W, McAuley, K.E, Fisher, L.M, Sanderson, M.R.
登録日2008-12-30
公開日2009-02-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structural insight into the quinolone-DNA cleavage complex of type IIA topoisomerases
Nat.Struct.Mol.Biol., 16, 2009
5D7H
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BU of 5d7h by Molmil
X-RAY CRYSTAL STRUCTURE OF L,D TRANSPEPTIDASE 2 FROM MYCOBACTERIUM TUBERCULOSIS
分子名称: GLYCEROL, L,D-transpeptidase 2, SULFATE ION
著者Saavedra, H, Basta, L.A, Lamichhane, G, Bianchet, M.A.
登録日2015-08-13
公開日2016-09-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structural insight into the inactivation of Mycobacterium tuberculosis non-classical transpeptidase LdtMt2 by biapenem and tebipenem.
BMC Biochem., 18, 2017
7B1T
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BU of 7b1t by Molmil
Crystal structure of BRD4(1) in complex with the inhibitor MPM6
分子名称: 3-(5-azanyl-2-chloranyl-phenyl)-1-methyl-4,7-dihydro-2~{H}-cyclohepta[c]pyrrol-8-one, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE
著者Huegle, M.
登録日2020-11-25
公開日2022-06-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献A novel pan-selective bromodomain inhibitor for epigenetic drug design.
Eur.J.Med.Chem., 249, 2023
7CWO
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BU of 7cwo by Molmil
SARS-CoV-2 spike protein RBD and P17 fab complex
分子名称: Spike glycoprotein, heavy chain of P17 Fab, light chain of P17 Fab
著者Wang, X, Wang, N.
登録日2020-08-29
公開日2020-12-16
最終更新日2021-01-13
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
4JPS
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BU of 4jps by Molmil
Co-crystal Structures of the Lipid Kinase PI3K alpha with Pan and Isoform Selective Inhibitors
分子名称: (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ...
著者Knapp, M.S, Elling, R.A.
登録日2013-03-19
公開日2014-04-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of NVP-BYL719 a potent and selective phosphatidylinositol-3 kinase alpha inhibitor selected for clinical evaluation.
Bioorg.Med.Chem.Lett., 23, 2013
7CWL
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SARS-CoV-2 spike protein and P17 fab complex with one RBD in close state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab P17 heavy chain, Fab P17 light chain, ...
著者Wang, X, Wang, N.
登録日2020-08-29
公開日2021-01-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
7CWM
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Complex of SARS-CoV-2 spike protein and Fab P17 with one RBD in open state and two RBD in closed state
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, P17 heavy chain, ...
著者Wang, N, Wang, X.
登録日2020-08-29
公開日2020-12-16
最終更新日2021-01-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
1K5R
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BU of 1k5r by Molmil
YAP65 WW domain S24-Amino-Ethylsulfanyl-Acetic Acid mutant
分子名称: 65 KDA YES-ASSOCIATED PROTEIN, Fragment of WBP-1
著者Ferguson, N, Pires, J.R, Toepert, F, Johnson, C.M, Pan, Y.P, Volkmer-Engert, R, Schneider-Mergener, J, Daggett, V, Oschkinat, H, Fersht, A.R.
登録日2001-10-12
公開日2001-11-02
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Using flexible loop mimetics to extend phi-value analysis to secondary structure interactions.
Proc.Natl.Acad.Sci.USA, 98, 2001
7CWN
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P17-H014 Fab cocktail in complex with SARS-CoV-2 spike protein
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, Spike glycoprotein, ...
著者Wang, N, Wang, X.
登録日2020-08-29
公開日2020-12-16
最終更新日2021-01-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
7X32
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Crystal structure of E. coli NfsB in complex with berberine
分子名称: BERBERINE, DIMETHYL SULFOXIDE, Dihydropteridine reductase, ...
著者Zhang, H, Wen, H.Y.
登録日2022-02-27
公開日2022-10-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.829 Å)
主引用文献Structural basis for the transformation of the traditional medicine berberine by bacterial nitroreductase.
Acta Crystallogr D Struct Biol, 78, 2022
3EU0
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BU of 3eu0 by Molmil
Crystal structure of the S-nitrosylated Cys215 of PTP1B
分子名称: Tyrosine-protein phosphatase non-receptor type 1
著者Chu, H.M, Wang, A.H.J, Chen, Y.Y, Pan, K.T, Wang, D.L, Khoo, K.H, Meng, T.C.
登録日2008-10-09
公開日2008-11-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cysteine S-Nitrosylation Protects Protein-tyrosine Phosphatase 1B against Oxidation-induced Permanent Inactivation
J.Biol.Chem., 283, 2008
4V3U
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BU of 4v3u by Molmil
Structure of human nNOS R354A G357D mutant heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(pyridin-3-yl) propan-1-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine, ...
著者Li, H, Poulos, T.L.
登録日2014-10-20
公開日2014-12-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
3F70
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Crystal structure of L3MBTL2-H4K20me1 complex
分子名称: Lethal(3)malignant brain tumor-like 2 protein, N-METHYL-LYSINE
著者Guo, Y, Qi, C, Allali-Hassani, A, Pan, P, Zhu, H, Dong, A, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Edwards, A.M, Weigelt, J, Bountra, C, Arrowsmith, C.H, Botchkarev, A, Read, R, Min, J, Structural Genomics Consortium (SGC)
登録日2008-11-07
公開日2009-01-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Methylation-state-specific recognition of histones by the MBT repeat protein L3MBTL2.
Nucleic Acids Res., 37, 2009
1JO2
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Crystal Structure of the B-DNA Hexamer (CgATCG).Daunomycin Complex Containing a Ribose at the Intercalation Site
分子名称: 5'-D(*C)-R(P*G)-D(P*AP*TP*CP*G)-3', DAUNOMYCIN
著者Shi, K, Pan, B, Sundaralingam, M.
登録日2001-07-26
公開日2003-07-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of a B-form DNA/RNA chimera (dC)(rG)d(ATCG) complexed with daunomycin at 1.5 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
1JPY
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Crystal structure of IL-17F
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 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Hymowitz, S.G, Filvaroff, E.H, Yin, J, Lee, J, Cai, L, Risser, P, Maruoka, M, Mao, W, Foster, J, Kelley, R, Pan, G, Gurney, A.L, de Vos, A.M, Starovasnik, M.A.
登録日2001-08-03
公開日2001-09-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献IL-17s adopt a cystine knot fold: structure and activity of a novel cytokine, IL-17F, and implications for receptor binding.
EMBO J., 20, 2001

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