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2HUG
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BU of 2hug by Molmil
3D Solution Structure of the Chromo-2 Domain of cpSRP43 complexed with cpSRP54 peptide
分子名称: Signal recognition particle 43 kDa protein, chloroplast, Signal recognition particle 54 kDa protein
著者Kathir, K.M, Vaithiyalingam, S, Henry, R, Thallapuranam, S.K.K.
登録日2006-07-26
公開日2007-09-18
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Assembly of chloroplast signal recognition particle involves structural rearrangement in cpSRP43.
J.Mol.Biol., 381, 2008
9F41
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BU of 9f41 by Molmil
Crystal structure of the NTD domain from S. cerevisia Niemann-Pick type C protein NCR1 with cholesterol bound
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHOLESTEROL, DI(HYDROXYETHYL)ETHER, ...
著者Nel, L, Olesen, E, Frain, K.M, Pedersen, B.P.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structural and biochemical analysis of ligand binding in yeast Niemann-Pick type C 1-related protein
To Be Published
9F40
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BU of 9f40 by Molmil
Crystal structure of the NTD domain from S. cerevisia Niemann-Pick type C protein NCR1 with ergosterol bound
分子名称: ACETONITRILE, DI(HYDROXYETHYL)ETHER, ERGOSTEROL, ...
著者Nel, L, Olesen, E, Frain, K.M, Pedersen, B.P.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Structural and biochemical analysis of ligand binding in yeast Niemann-Pick type C 1-related protein
To Be Published
6FV1
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BU of 6fv1 by Molmil
Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)-2-cinnamamido-4-methylpentanamide (cinnamoyl-leucine-GlnLactam-CO-CO-NH-benzyl)
分子名称: (2~{S})-4-methyl-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ...
著者Zhang, L, Hilgenfeld, R.
登録日2018-02-28
公開日2019-03-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 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
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2024-05-01
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
6PBV
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BU of 6pbv by Molmil
Crystal structure of Fab668 complex
分子名称: 1,2-ETHANEDIOL, Fab668 heavy chain, Fab668 light chain, ...
著者Oyen, D, Wilson, I.A.
登録日2019-06-14
公開日2020-03-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.566 Å)
主引用文献Structure and mechanism of monoclonal antibody binding to the junctional epitope of Plasmodium falciparum circumsporozoite protein.
Plos Pathog., 16, 2020
8CX3
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BU of 8cx3 by Molmil
Crystal structure of full-length mesothelin
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, GLYCEROL, ...
著者Zhan, J, Esser, L, Xia, D.
登録日2022-05-19
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.609 Å)
主引用文献Structures of Cancer Antigen Mesothelin and Its Complexes with Therapeutic Antibodies.
Cancer Res Commun, 3, 2023
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
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
2VL2
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BU of 2vl2 by Molmil
Oxidized and reduced forms of human peroxiredoxin 5
分子名称: BENZOIC ACID, PEROXIREDOXIN-5
著者Smeets, A, Declercq, J.P.
登録日2008-01-08
公開日2008-08-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.925 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
6PHG
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BU of 6phg by Molmil
Predicted germline variant of human transmission blocking antibody 2544
分子名称: GLYCEROL, Germline 2544 Antibody Fab, Heavy Chain, ...
著者McLeod, B.R, Julien, J.P.
登録日2019-06-25
公開日2019-10-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent antibody lineage against malaria transmission elicited by human vaccination with Pfs25.
Nat Commun, 10, 2019
3E94
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BU of 3e94 by Molmil
Crystal structure of RXRalpha ligand binding domain in complex with tributyltin and a coactivator fragment
分子名称: ACETATE ION, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha, ...
著者Bourguet, W, Le Maire, A.
登録日2008-08-21
公開日2009-03-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Activation of RXR-PPAR heterodimers by organotin environmental endocrine disruptors
Embo Rep., 10, 2009
6PHD
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BU of 6phd by Molmil
Pfs25 in complex with the human transmission blocking antibody 2586
分子名称: 25 kDa ookinete surface antigen, 2586 Antibody Fab, Heavy Chain, ...
著者McLeod, B.R, Julien, J.P.
登録日2019-06-25
公開日2019-10-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Potent antibody lineage against malaria transmission elicited by human vaccination with Pfs25.
Nat Commun, 10, 2019
7ZVW
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BU of 7zvw by Molmil
NuA4 Histone Acetyltransferase Complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin, Chromatin modification-related protein EAF1, ...
著者Schultz, P, Ben-Shem, A, Frechard, A.
登録日2022-05-17
公開日2023-05-31
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The structure of the NuA4-Tip60 complex reveals the mechanism and importance of long-range chromatin modification.
Nat.Struct.Mol.Biol., 30, 2023
6PWS
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BU of 6pws by Molmil
Crystal structure of the cow C-type carbohydrate-recognition domain of CD23 in the presence of alpha-methyl mannoside
分子名称: CALCIUM ION, Fc fragment of IgE receptor II, methyl alpha-D-mannopyranoside
著者Weis, W.I, Feinberg, H.
登録日2019-07-23
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献CD23 is a glycan-binding receptor in some mammalian species.
J.Biol.Chem., 294, 2019
6PWT
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BU of 6pwt by Molmil
Crystal structure of the cow C-type carbohydrate-recognition domain of CD23 in the presence of GlcNAc2Man3 oligosaccharide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, CALCIUM ION, Fc fragment of IgE receptor II
著者Weis, W.I, Feinberg, H.
登録日2019-07-23
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献CD23 is a glycan-binding receptor in some mammalian species.
J.Biol.Chem., 294, 2019
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2017-11-08
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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BU of 3t46 by Molmil
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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BU of 3t49 by Molmil
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
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2023-09-13
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
7ATM
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BU of 7atm by Molmil
Structure of P. aeruginosa PBP3 in complex with a phenyl boronic acid (Compound 1)
分子名称: (3-(1H-tetrazol-5-yl)phenyl)boronic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-10-30
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.582 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7ATO
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BU of 7ato by Molmil
Structure of P. aeruginosa PBP3 in complex with an aryl boronic acid (Compound 2)
分子名称: (5-methyl-1H-indazol-6-yl)boronic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-10-30
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.587 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7AU0
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BU of 7au0 by Molmil
Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 7)
分子名称: Peptidoglycan D,D-transpeptidase FtsI, methyl (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamido)-2-phenylacetate
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-11-02
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7ATX
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Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 4)
分子名称: 4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one, Peptidoglycan D,D-transpeptidase FtsI
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-11-01
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.795 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021

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