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4RS1
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BU of 4rs1 by Molmil
Crystal structure of receptor-cytokine complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Granulocyte-macrophage colony-stimulating factor, ...
Authors:Broughton, S.E, Parker, M.W, Dhagat, U.
Deposit date:2014-11-06
Release date:2015-11-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Conformational Changes in the GM-CSF Receptor Suggest a Molecular Mechanism for Affinity Conversion and Receptor Signaling.
Structure, 24, 2016
19GS
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BU of 19gs by Molmil
Glutathione s-transferase p1-1
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,3'-(4,5,6,7-TETRABROMO-3-OXO-1(3H)-ISOBENZOFURANYLIDENE)BIS [6-HYDROXYBENZENESULFONIC ACID]ANION, GLUTATHIONE, ...
Authors:Oakley, A.J, Lo Bello, M, Parker, M.W.
Deposit date:1997-12-14
Release date:1998-12-30
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The ligandin (non-substrate) binding site of human Pi class glutathione transferase is located in the electrophile binding site (H-site).
J.Mol.Biol., 291, 1999
1A87
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BU of 1a87 by Molmil
COLICIN N
Descriptor: COLICIN N
Authors:Vetter, I.R, Parker, M.W, Tucker, A.D, Lakey, J.H, Pattus, F, Tsernoglou, D.
Deposit date:1998-04-03
Release date:1999-04-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of a colicin N fragment suggests a model for toxicity.
Structure, 6, 1998
6VQS
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BU of 6vqs by Molmil
HIV Integrase Core domain (IN) in complex with [5-(3-fluorophenyl)-1-benzofuran-3-yl]acetic acid
Descriptor: IODIDE ION, Integrase, SULFATE ION, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2020-02-05
Release date:2021-02-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:HIV Integrase Core domain (IN) in complex with [5-(3-fluorophenyl)-1-benzofuran-3-yl]acetic acid
To Be Published
6VX2
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BU of 6vx2 by Molmil
HIV Integrase core domain in complex with inhibitor (5-methyl-1-benzofuran-3-yl)acetic acid
Descriptor: (5-methyl-1-benzofuran-3-yl)acetic acid, IODIDE ION, Integrase, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2020-02-21
Release date:2021-02-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:HIV Integrase core domain in complex with inhibitor (5-methyl-1-benzofuran-3-yl)acetic acid
To Be Published
6W0U
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BU of 6w0u by Molmil
HIV Integrase core domain in complex with inhibitor 2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)acetic acid
Descriptor: 2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)ethanoic acid, IODIDE ION, Integrase, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2020-03-02
Release date:2021-03-03
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:HIV Integrase core domain in complex with inhibitor
To Be Published
6W42
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BU of 6w42 by Molmil
HIV Integrase core domain in complex with inhibitor 2-(5-methyl-2-(2-(thiophen-2-yl)ethynyl)-1-benzofuran-3-yl)acetic acid
Descriptor: 2-[5-methyl-2-(2-thiophen-2-ylethynyl)-1-benzofuran-3-yl]ethanoic acid, HIV Integrase catalytic domain, IODIDE ION, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2020-03-09
Release date:2021-03-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:HIV Integrase core domain in complex with inhibitor (5-methyl-1-benzofuran-3-yl)acetic acid
To Be Published
1FW1
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BU of 1fw1 by Molmil
Glutathione transferase zeta/maleylacetoacetate isomerase
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLUTATHIONE, GLUTATHIONE TRANSFERASE ZETA, ...
Authors:Polekhina, G, Board, P.G, Blackburn, A.C, Parker, M.W.
Deposit date:2000-09-20
Release date:2001-09-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of maleylacetoacetate isomerase/glutathione transferase zeta reveals the molecular basis for its remarkable catalytic promiscuity.
Biochemistry, 40, 2001
8V5T
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BU of 8v5t by Molmil
Crystal structure of Alzheimers disease phospholipase D3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-3' exonuclease PLD3, GLYCEROL, ...
Authors:Ishii, K, Hermans, S.J, Nero, T.L, Gorman, M.A, Parker, M.W.
Deposit date:2023-12-01
Release date:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Alzheimer's disease phospholipase D3 provides a molecular basis for understanding its normal and pathological functions.
Febs J., 2024
7SIA
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BU of 7sia by Molmil
HIV Integrase core domain in complex with inhibitor 2-[2-(2-{3-[(4-{2-[(3-{2-[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}phenyl)formamido]ethyl}piperazin-1-yl)methyl]phenyl}ethynyl)-5-methyl-1-benzofuran-3-yl]acetic acid
Descriptor: (2-{[3-({4-[2-(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzamido)ethyl]piperazin-1-yl}methyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid, IODIDE ION, Integrase, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2021-10-12
Release date:2022-10-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:HIV Integrase core domain in complex with inhibitor
To Be Published
6NAL
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BU of 6nal by Molmil
Crystal Structure of Gram Negative Toxin
Descriptor: IMIDAZOLE, TETRAETHYLENE GLYCOL, Thiol-activated cytolysin
Authors:Morton, C.J, Lawrence, S.A, Parker, M.W.
Deposit date:2018-12-05
Release date:2019-12-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Structural Basis for a Transition State That Regulates Pore Formation in a Bacterial Toxin.
Mbio, 10, 2019
6NMY
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BU of 6nmy by Molmil
A Cytokine-receptor complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit beta, ...
Authors:Dhagat, U, Kan, W.L, Hercus, T.R, Broughton, S.E, Nero, T.L, Lopez, A.F, Parker, M.W.
Deposit date:2019-01-13
Release date:2020-01-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.301 Å)
Cite:Distinct Assemblies of Heterodimeric Cytokine Receptors Govern Stemness Programs in Leukemia.
Cancer Discov, 13, 2023
4Y0G
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BU of 4y0g by Molmil
beta2 carbohydrate binding module (CBM) of AMP-activated protein kinase (AMPK)
Descriptor: 5'-AMP-activated protein kinase subunit beta-2, GLYCEROL
Authors:Mobbs, J, Gorman, M.A, Parker, M.W, Gooley, P.R, Griffin, M.
Deposit date:2015-02-06
Release date:2015-04-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Determinants of oligosaccharide specificity of the carbohydrate-binding modules of AMP-activated protein kinase.
Biochem.J., 468, 2015
6OIR
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BU of 6oir by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 62
Descriptor: 4-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
Authors:Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-04-09
Release date:2019-07-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A.
J.Med.Chem., 62, 2019
7TBA
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BU of 7tba by Molmil
Pentraxin - ligand complex
Descriptor: C-reactive protein, CALCIUM ION, [3-(dibutylamino)propyl]phosphonic acid
Authors:Shing, K.S.C.T, Morton, C.J, Parker, M.W.
Deposit date:2021-12-21
Release date:2022-10-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:A novel phosphocholine-mimetic inhibits a pro-inflammatory conformational change in C-reactive protein.
Embo Mol Med, 15, 2023
7L1P
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BU of 7l1p by Molmil
HIV Integrase Core domain (IN) in complex with dimer-spanning ligand
Descriptor: (2-{[3-(4-{2-[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzene-1-carbonyl)amino]ethyl}piperazine-1-carbonyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid, IODIDE ION, Integrase, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2020-12-15
Release date:2021-12-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:HIV Integrase core domain in complex with inhibitor
To Be Published
7L2Y
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BU of 7l2y by Molmil
HIV Integrase core domain in complex with inhibitor 2-(5-(3-fluorophenyl)-2-(2-(thiophen-2-yl)ethynyl)-1- benzofuran-3-yl)ethanoic acid
Descriptor: 4-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid, IODIDE ION, Integrase, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2020-12-17
Release date:2021-12-22
Method:X-RAY DIFFRACTION (1.982 Å)
Cite:HIV Integrase core domain in complex with inhibitor
To Be Published
6OWI
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BU of 6owi by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 85
Descriptor: GLYCEROL, Histone acetyltransferase KAT8, N'-[(2-fluorophenyl)sulfonyl]benzohydrazide, ...
Authors:Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-05-09
Release date:2020-04-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
6OIN
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BU of 6oin by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor CTX-124143
Descriptor: 2-fluoro-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
Authors:Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-04-09
Release date:2019-07-03
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A.
J.Med.Chem., 62, 2019
7LO4
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BU of 7lo4 by Molmil
SARS-CoV-2 spike receptor-binding domain with a G485R mutation in complex with human ACE2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Weekley, C.M, Parker, M.W.
Deposit date:2021-02-09
Release date:2021-03-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.465 Å)
Cite:SARS-CoV-2 Spike receptor-binding domain with a G485R mutation in complex with human ACE2
Biorxiv, 2021
2AN6
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BU of 2an6 by Molmil
Protein-peptide complex
Descriptor: Ubiquitin ligase SIAH1A, ZINC ION, peptide from Phyllopod
Authors:House, C.M, Hancock, N.C, Moller, A, Cromer, B.A, Fedorov, V, Bowtell, D.D.L, Parker, M.W, Polekhina, G.
Deposit date:2005-08-11
Release date:2006-05-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Elucidation of the substrate binding site of Siah ubiquitin ligase
Structure, 14, 2006
2FK3
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BU of 2fk3 by Molmil
Structure of the Alzheimer's Amyloid Precursor Protein (APP) Copper Binding Domain in 'large unit cell' form
Descriptor: Amyloid beta A4 protein precursor, COPPER (II) ION
Authors:Kong, G.K.-W, Parker, M.W.
Deposit date:2006-01-04
Release date:2007-01-16
Last modified:2022-02-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Studies of the Alzheimer's Amyloid Precursor Protein Copper-binding Domain Reveal How it Binds Copper Ions
J.Mol.Biol., 367, 2007
2FJZ
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BU of 2fjz by Molmil
Structure of the Alzheimer's Amyloid Precursor Protein (APP) copper binding domain (residues 133 to 189) in 'small unit cell' form, metal-free
Descriptor: Amyloid beta A4 protein precursor
Authors:Kong, G.K.-W, Parker, M.W.
Deposit date:2006-01-03
Release date:2007-01-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structural Studies of the Alzheimer's Amyloid Precursor Protein Copper-binding Domain Reveal How it Binds Copper Ions
J.Mol.Biol., 367, 2007
2FKL
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BU of 2fkl by Molmil
Structure of the Alzheimer's Amyloid Precursor Protein (APP) Copper Binding Domain (Residues 126- 189 of APP)
Descriptor: Amyloid beta A4 protein precursor
Authors:Kong, G.K.-W, Parker, M.W.
Deposit date:2006-01-04
Release date:2007-01-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Studies of the Alzheimer's Amyloid Precursor Protein Copper-binding Domain Reveal How it Binds Copper Ions
J.Mol.Biol., 367, 2007
2FK1
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BU of 2fk1 by Molmil
Structure of the Alzheimer's Amyloid Precursor Protein (APP) Copper Binding Domain in 'small unit cell' form, Cu(II)-bound
Descriptor: Amyloid beta A4 protein precursor, COPPER (II) ION
Authors:Kong, G.K.-W, Parker, M.W.
Deposit date:2006-01-03
Release date:2007-01-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Studies of the Alzheimer's Amyloid Precursor Protein Copper-binding Domain Reveal How it Binds Copper Ions
J.Mol.Biol., 367, 2007

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