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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
Descriptor: Signal recognition particle 43 kDa protein, chloroplast, Signal recognition particle 54 kDa protein
Authors:Kathir, K.M, Vaithiyalingam, S, Henry, R, Thallapuranam, S.K.K.
Deposit date:2006-07-26
Release date:2007-09-18
Last modified:2024-05-08
Method:SOLUTION NMR
Cite: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
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHOLESTEROL, DI(HYDROXYETHYL)ETHER, ...
Authors:Nel, L, Olesen, E, Frain, K.M, Pedersen, B.P.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.64 Å)
Cite: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
Descriptor: ACETONITRILE, DI(HYDROXYETHYL)ETHER, ERGOSTEROL, ...
Authors:Nel, L, Olesen, E, Frain, K.M, Pedersen, B.P.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.44 Å)
Cite: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)
Descriptor: (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, ...
Authors:Zhang, L, Hilgenfeld, R.
Deposit date:2018-02-28
Release date:2019-03-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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)
Descriptor: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, 3C-like proteinase, GLYCEROL
Authors:Zhang, L, Hilgenfeld, R.
Deposit date:2018-02-28
Release date:2019-03-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.95 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Fab668 heavy chain, Fab668 light chain, ...
Authors:Oyen, D, Wilson, I.A.
Deposit date:2019-06-14
Release date:2020-03-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.566 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Zhan, J, Esser, L, Xia, D.
Deposit date:2022-05-19
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.609 Å)
Cite: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
Descriptor: 30S ribosomal protein S1
Authors:Huang, B, Liao, X.
Deposit date:2016-02-25
Release date:2016-03-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:(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
Descriptor: GLYCEROL, Lon211
Authors:Bi, F.K, Chen, C, Chen, X.Y, Guo, C.Y, Lin, D.H.
Deposit date:2019-12-19
Release date:2020-12-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: BENZOIC ACID, PEROXIREDOXIN-5
Authors:Smeets, A, Declercq, J.P.
Deposit date:2008-01-08
Release date:2008-08-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.925 Å)
Cite: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
Descriptor: GLYCEROL, Germline 2544 Antibody Fab, Heavy Chain, ...
Authors:McLeod, B.R, Julien, J.P.
Deposit date:2019-06-25
Release date:2019-10-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: ACETATE ION, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha, ...
Authors:Bourguet, W, Le Maire, A.
Deposit date:2008-08-21
Release date:2009-03-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 25 kDa ookinete surface antigen, 2586 Antibody Fab, Heavy Chain, ...
Authors:McLeod, B.R, Julien, J.P.
Deposit date:2019-06-25
Release date:2019-10-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, Chromatin modification-related protein EAF1, ...
Authors:Schultz, P, Ben-Shem, A, Frechard, A.
Deposit date:2022-05-17
Release date:2023-05-31
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite: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
Descriptor: CALCIUM ION, Fc fragment of IgE receptor II, methyl alpha-D-mannopyranoside
Authors:Weis, W.I, Feinberg, H.
Deposit date:2019-07-23
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1 Å)
Cite: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
Descriptor: 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
Authors:Weis, W.I, Feinberg, H.
Deposit date:2019-07-23
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:CD23 is a glycan-binding receptor in some mammalian species.
J.Biol.Chem., 294, 2019
3T48
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BU of 3t48 by Molmil
Crystal Structure of truncated form of Staphylococcal Complement Inhibitor D (SCIN-D) at 1.5 Angstrom
Descriptor: SCIN-D
Authors:Garcia, B.L, Geisbrecht, B.V, Summers, B.J.
Deposit date:2011-07-25
Release date:2011-11-23
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: SCIN-D, SODIUM ION
Authors:Garcia, B.L, Geisbrecht, B.V, Summers, B.J.
Deposit date:2011-07-25
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: Fibrinogen-binding protein, GLYCEROL, SULFATE ION
Authors:Garcia, B.L, Geisbrecht, B.V, Summers, B.J.
Deposit date:2011-07-25
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
Descriptor: SCIN-D
Authors:Garcia, B.L, Geisbrecht, B.V, Summers, B.J.
Deposit date:2011-07-25
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.301 Å)
Cite: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
Descriptor: Complement C3 beta chain, Complement C3c alpha' chain fragment 1, Complement C3c alpha' chain fragment 2, ...
Authors:Garcia, B.L, Geisbrecht, B.V, Summers, B.J.
Deposit date:2011-07-25
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.4 Å)
Cite: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)
Descriptor: (3-(1H-tetrazol-5-yl)phenyl)boronic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Newman, H, Bellini, B, Dowson, C.G.
Deposit date:2020-10-30
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.582 Å)
Cite: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)
Descriptor: (5-methyl-1H-indazol-6-yl)boronic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Newman, H, Bellini, B, Dowson, C.G.
Deposit date:2020-10-30
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.587 Å)
Cite: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)
Descriptor: Peptidoglycan D,D-transpeptidase FtsI, methyl (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamido)-2-phenylacetate
Authors:Newman, H, Bellini, B, Dowson, C.G.
Deposit date:2020-11-02
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.17 Å)
Cite: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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BU of 7atx by Molmil
Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 4)
Descriptor: 4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one, Peptidoglycan D,D-transpeptidase FtsI
Authors:Newman, H, Bellini, B, Dowson, C.G.
Deposit date:2020-11-01
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.795 Å)
Cite: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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数据于2024-07-24公开中

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