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8Q69
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BU of 8q69 by Molmil
Crystal structure of HsRNMT complexed with inhibitor DDD1060606
分子名称: 1-[(3~{S})-3-(2~{H}-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-yl-ethanone, GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Petit, A.P, Fyfe, P.K.
登録日2023-08-11
公開日2024-08-21
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Characterisation of RNA guanine-7 methyltransferase (RNMT) using a small molecule approach.
Biochem.J., 482, 2025
6FV2
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BU of 6fv2 by Molmil
Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (cinnamoyl-phenylalanine-GlnLactam-CO-CO-NH-benzyl)
分子名称: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, 3C-like proteinase, GLYCEROL
著者Zhang, L, Hilgenfeld, R.
登録日2018-02-28
公開日2019-03-20
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication Structure-based design, synthesis, and activity assessment.
J.Med.Chem., 2020
8Q8G
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BU of 8q8g by Molmil
Crystal structure of HsRNMT complexed with inhibitor DDD1870799
分子名称: 2-(4-fluorophenyl)-1-[(3~{S})-3-(6-oxidanyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone, GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Petit, A.P, Fyfe, P.K.
登録日2023-08-18
公開日2024-08-28
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Characterisation of RNA guanine-7 methyltransferase (RNMT) using a small molecule approach.
Biochem.J., 482, 2025
8Q9W
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BU of 8q9w by Molmil
Crystal structure of HsRNMT complexed with sinefungin and GMP-PnP
分子名称: PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, SINEFUNGIN, SULFATE ION, ...
著者Petit, A.P, Fyfe, P.K.
登録日2023-08-21
公開日2024-09-11
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Characterisation of RNA guanine-7 methyltransferase (RNMT) using a small molecule approach.
Biochem.J., 482, 2025
6VBK
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BU of 6vbk by Molmil
Crystal structure of N-terminal domain of Mycobacterium tuberculosis complex Lon protease
分子名称: GLYCEROL, Lon211
著者Bi, F.K, Chen, C, Chen, X.Y, Guo, C.Y, Lin, D.H.
登録日2019-12-19
公開日2020-12-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the N domain of Lon protease from Mycobacterium avium complex.
Protein Sci., 28, 2019
6IHG
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BU of 6ihg by Molmil
N terminal domain of Mycobacterium avium complex Lon protease
分子名称: Lon protease
著者Chen, X.Y, Zhang, S.J, Bi, F.K, Guo, C.Y, Yao, H.W, Lin, D.H.
登録日2018-09-29
公開日2019-08-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.397 Å)
主引用文献Crystal structure of the N domain of Lon protease from Mycobacterium avium complex.
Protein Sci., 28, 2019
2VL9
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BU of 2vl9 by Molmil
Oxidized form of human peroxiredoxin 5
分子名称: PEROXIREDOXIN-5
著者Smeets, A, Declercq, J.P.
登録日2008-01-11
公開日2008-08-26
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Crystal Structures of Oxidized Forms of Human Peroxiredoxin 5 with an Intramolecular Disulfide Bond Confirm the Proposed Enzymatic Mechanism for Atypical 2-Cys Peroxiredoxins.
Arch.Biochem.Biophys., 477, 2008
3T48
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Crystal Structure of truncated form of Staphylococcal Complement Inhibitor D (SCIN-D) at 1.5 Angstrom
分子名称: SCIN-D
著者Garcia, B.L, Geisbrecht, B.V, Summers, B.J.
登録日2011-07-25
公開日2011-11-23
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Diversity in the C3b Convertase Contact Residues and Tertiary Structures of the Staphylococcal Complement Inhibitor (SCIN) Protein Family.
J.Biol.Chem., 287, 2012
3T46
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Crystal structure of Staphylococcal Complement Inhibitor D (SCIN-D) at 1.5 Angstrom
分子名称: SCIN-D, SODIUM ION
著者Garcia, B.L, Geisbrecht, B.V, Summers, B.J.
登録日2011-07-25
公開日2011-11-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Diversity in the C3b Convertase Contact Residues and Tertiary Structures of the Staphylococcal Complement Inhibitor (SCIN) Protein Family.
J.Biol.Chem., 287, 2012
3T49
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Crystal structure of truncated form of Staphylococcal Complement Inhibitor B (SCIN-B) at 1.5 Angstrom
分子名称: Fibrinogen-binding protein, GLYCEROL, SULFATE ION
著者Garcia, B.L, Geisbrecht, B.V, Summers, B.J.
登録日2011-07-25
公開日2011-11-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Diversity in the C3b Convertase Contact Residues and Tertiary Structures of the Staphylococcal Complement Inhibitor (SCIN) Protein Family.
J.Biol.Chem., 287, 2012
3T47
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BU of 3t47 by Molmil
Crystal Structure of truncated form of Staphylococcal Complement Inhibitor D (SCIN-D) at 1.3 Angstrom
分子名称: SCIN-D
著者Garcia, B.L, Geisbrecht, B.V, Summers, B.J.
登録日2011-07-25
公開日2011-11-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.301 Å)
主引用文献Diversity in the C3b Convertase Contact Residues and Tertiary Structures of the Staphylococcal Complement Inhibitor (SCIN) Protein Family.
J.Biol.Chem., 287, 2012
6Y2E
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BU of 6y2e by Molmil
Crystal structure of the free enzyme of the SARS-CoV-2 (2019-nCoV) main protease
分子名称: 3C-like proteinase
著者Zhang, L, Sun, X, Hilgenfeld, R.
登録日2020-02-15
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Science, 368, 2020
3T4A
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BU of 3t4a by Molmil
Structure of a truncated form of Staphylococcal Complement Inhibitor B bound to human C3c at 3.4 Angstrom resolution
分子名称: Complement C3 beta chain, Complement C3c alpha' chain fragment 1, Complement C3c alpha' chain fragment 2, ...
著者Garcia, B.L, Geisbrecht, B.V, Summers, B.J.
登録日2011-07-25
公開日2011-11-23
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Diversity in the C3b Convertase Contact Residues and Tertiary Structures of the Staphylococcal Complement Inhibitor (SCIN) Protein Family.
J.Biol.Chem., 287, 2012
5FOA
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BU of 5foa by Molmil
Crystal Structure of Human Complement C3b in complex with DAF (CCP2-4)
分子名称: COMPLEMENT C3 BETA CHAIN, COMPLEMENT C3B ALPHA CHAIN, DECAY ACCELERATING FACTOR, ...
著者Forneris, F, Wu, J, Xue, X, Gros, P.
登録日2015-11-18
公開日2016-04-06
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (4.188 Å)
主引用文献Regulators of Complement Activity Mediate Inhibitory Mechanisms Through a Common C3B-Binding Mode.
Embo J., 35, 2016
5FO9
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BU of 5fo9 by Molmil
Crystal Structure of Human Complement C3b in Complex with CR1 (CCP15- 17)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3 BETA CHAIN, COMPLEMENT C3B ALPHA' CHAIN, ...
著者Forneris, F, Wu, J, Xue, X, Gros, P.
登録日2015-11-18
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Regulators of Complement Activity Mediate Inhibitory Mechanisms Through a Common C3B-Binding Mode.
Embo J., 35, 2016
5FO7
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BU of 5fo7 by Molmil
Crystal Structure of Human Complement C3b at 2.8 Angstrom resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3 BETA CHAIN, COMPLEMENT C3B ALPHA' CHAIN
著者Forneris, F, Wu, J, Xue, X, Gros, P.
登録日2015-11-18
公開日2016-04-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Regulators of Complement Activity Mediate Inhibitory Mechanisms Through a Common C3B-Binding Mode.
Embo J., 35, 2016
5IE8
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BU of 5ie8 by Molmil
The pyrazinoic acid binding domain of Ribosomal Protein S1 from Mycobacterium tuberculosis
分子名称: 30S ribosomal protein S1
著者Huang, B, Liao, X.
登録日2016-02-25
公開日2016-03-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献(1)H, (15)N, (13)C resonance assignments for pyrazinoic acid binding domain of ribosomal protein S1 from Mycobacterium tuberculosis
Biomol NMR Assign, 10, 2016
5FOB
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BU of 5fob by Molmil
Crystal Structure of Human Complement C3b in complex with Smallpox Inhibitor of Complement (SPICE)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COMPLEMENT C3 BETA CHAIN, ...
著者Forneris, F, Wu, J, Xue, X, Gros, P.
登録日2015-11-18
公開日2016-04-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Regulators of Complement Activity Mediate Inhibitory Mechanisms Through a Common C3B-Binding Mode.
Embo J., 35, 2016
5FO8
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Crystal Structure of Human Complement C3b in Complex with MCP (CCP1-4)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3, ...
著者Forneris, F, Wu, J, Xue, X, Gros, P.
登録日2015-11-18
公開日2016-04-06
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Regulators of Complement Activity Mediate Inhibitory Mechanisms Through a Common C3B-Binding Mode.
Embo J., 35, 2016
1XHO
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BU of 1xho by Molmil
Chorismate mutase from Clostridium thermocellum Cth-682
分子名称: Chorismate mutase, UNKNOWN ATOM OR ION
著者Xu, H, Chen, L, Lee, D, Habel, J.E, Nguyen, J, Chang, S.-H, Kataeva, I, Chang, J, Zhao, M, Yang, H, Horanyi, P, Florence, Q, Tempel, W, Zhou, W, Lin, D, Zhang, H, Praissman, J, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Ljungdahl, L, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-09-20
公開日2004-11-23
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Away from the edge II: in-house Se-SAS phasing with chromium radiation.
Acta Crystallogr.,Sect.D, 61, 2005
1RYQ
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BU of 1ryq by Molmil
Putative DNA-directed RNA polymerase, subunit e'' from Pyrococcus Furiosus Pfu-263306-001
分子名称: DNA-directed RNA polymerase, subunit e'', ZINC ION
著者Liu, Z.-J, Chen, L, Tempel, W, Shah, A, Arendall III, W.B, Rose, J.P, Brereton, P.S, Izumi, M, Jenney Jr, F.E, Lee, H.S, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2003-12-22
公開日2004-08-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Parameter-space screening: a powerful tool for high-throughput crystal structure determination.
Acta Crystallogr.,Sect.D, 61, 2005
4H6H
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BU of 4h6h by Molmil
Crystal Structure of Staphylococcal Complement Inhibitor SCIN-B(4-85)
分子名称: Fibrinogen-binding protein
著者Garcia, B.L, Geisbrecht, B.V.
登録日2012-09-19
公開日2012-12-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5024 Å)
主引用文献A Structurally Dynamic N-terminal Helix Is a Key Functional Determinant in Staphylococcal Complement Inhibitor (SCIN) Proteins.
J.Biol.Chem., 288, 2013
8RUS
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BU of 8rus by Molmil
Hen egg-white lysozyme (HEWL) structure from EuXFEL FXE, multi-hit Droplet-on-Demand (DoD) injection, 9.3 keV photon energy, space group P432121
分子名称: ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Perrett, S, van Thor, J.J.
登録日2024-01-31
公開日2024-07-24
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Kilohertz droplet-on-demand serial femtosecond crystallography at the European XFEL station FXE.
Struct Dyn., 11, 2024
6EMW
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BU of 6emw by Molmil
Structure of S.aureus ClpC in complex with MecA
分子名称: ATP-dependent Clp protease ATP-binding subunit, ATP-dependent Clp protease ATP-binding subunit ClpC, Adapter protein MecA, ...
著者Carroni, M, Mogk, A, Bukau, B, Franke, K.
登録日2017-10-03
公開日2017-12-27
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (11 Å)
主引用文献Regulatory coiled-coil domains promote head-to-head assemblies of AAA+ chaperones essential for tunable activity control.
Elife, 6, 2017
6EM8
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S.aureus ClpC resting state, C2 symmetrised
分子名称: ATP-dependent Clp protease ATP-binding subunit ClpC
著者Carroni, M, Mogk, A.
登録日2017-10-01
公開日2017-12-27
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (8.4 Å)
主引用文献Regulatory coiled-coil domains promote head-to-head assemblies of AAA+ chaperones essential for tunable activity control.
Elife, 6, 2017

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