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1BIX
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BU of 1bix by Molmil
THE CRYSTAL STRUCTURE OF THE HUMAN DNA REPAIR ENDONUCLEASE HAP1 SUGGESTS THE RECOGNITION OF EXTRA-HELICAL DEOXYRIBOSE AT DNA ABASIC SITES
分子名称: AP ENDONUCLEASE 1, PLATINUM (II) ION, SAMARIUM (III) ION
著者Gorman, M.A, Morera, S, Rothwell, D.G, De La Fortelle, E, Mol, C.D, Tainer, J.A, Hickson, I.D, Freemont, P.S.
登録日1998-06-19
公開日1999-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The crystal structure of the human DNA repair endonuclease HAP1 suggests the recognition of extra-helical deoxyribose at DNA abasic sites.
EMBO J., 16, 1997
3HA4
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BU of 3ha4 by Molmil
Crystal structure of the type one membrane protein MIX1 from Leishmania
分子名称: CARBONATE ION, MIX1
著者Gorman, M.A, Walsh, P.J, Parker, M.W.
登録日2009-05-01
公開日2010-05-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the Leishmania major MIX protein: A scaffold protein that mediates protein-protein interactions.
Protein Sci., 20, 2011
4TKX
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BU of 4tkx by Molmil
Structure of Protease
分子名称: 1,2-ETHANEDIOL, ACETATE ION, LEAD (II) ION, ...
著者Gorman, M.A, Parker, M.W.
登録日2014-05-28
公開日2014-12-31
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of the lysine specific protease Kgp from Porphyromonas gingivalis, a target for improved oral health.
Protein Sci., 24, 2015
7RQ0
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BU of 7rq0 by Molmil
HIV Integrase CORE domain in complex with 2-{2-[2-(3-{[4-(2-{[(3-{2-[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}phenyl)methyl]amino}ethyl)piperazin-1-yl]methyl}phenyl)ethynyl]-5-methyl-1-benzofuran-3-yl}acetic acid
分子名称: IODIDE ION, Integrase, SULFATE ION, ...
著者Gorman, M.A, Parker, M.W.
登録日2021-08-05
公開日2022-08-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献HIV integrase-LEDGF interaction screening by fragment linking using off-rate screening
To Be Published
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
分子名称: (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, ...
著者Gorman, M.A, Parker, M.W.
登録日2021-10-12
公開日2022-10-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献HIV Integrase core domain in complex with inhibitor
To Be Published
4ONI
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BU of 4oni by Molmil
Structure of Human Orphan Receptor LRH1 bound to two bacterial phospholipids
分子名称: (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, GLYCEROL, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, ...
著者Gorman, M.A, Parker, M.W, Kusumo, S.
登録日2014-01-28
公開日2015-02-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Human nuclear receptor LRH1 bound to phosopholipids and SHP peptide
To be Published
7LQP
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BU of 7lqp by Molmil
Rapid development of potent inhibitors of the HIV integrase-LEDGF interaction by fragment-linking using off-rate screening
分子名称: 2-[2-[2-[3-[2-[2-[2-[[3-[2-[3-(2-hydroxy-2-oxoethyl)-5-methyl-1-benzofuran-2-yl]ethynyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]ethynyl]-5-methyl-1-benzofuran-3-yl]ethanoic acid, IODIDE ION, Integrase, ...
著者Gorman, M.A, Parker, M.W.
登録日2021-02-15
公開日2022-02-23
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Rapid development of potent inhibitors of the HIV integrase-LEDGF interaction by fragment-linking using off-rate screening
To Be Published
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
分子名称: IODIDE ION, Integrase, SULFATE ION, ...
著者Gorman, M.A, Parker, M.W.
登録日2020-02-05
公開日2021-02-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献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
分子名称: (5-methyl-1-benzofuran-3-yl)acetic acid, IODIDE ION, Integrase, ...
著者Gorman, M.A, Parker, M.W.
登録日2020-02-21
公開日2021-02-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
分子名称: 2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)ethanoic acid, IODIDE ION, Integrase, ...
著者Gorman, M.A, Parker, M.W.
登録日2020-03-02
公開日2021-03-03
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献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
分子名称: 2-[5-methyl-2-(2-thiophen-2-ylethynyl)-1-benzofuran-3-yl]ethanoic acid, HIV Integrase catalytic domain, IODIDE ION, ...
著者Gorman, M.A, Parker, M.W.
登録日2020-03-09
公開日2021-03-10
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献HIV Integrase core domain in complex with inhibitor (5-methyl-1-benzofuran-3-yl)acetic acid
To Be Published
6WC8
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BU of 6wc8 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
分子名称: IODIDE ION, Integrase, SULFATE ION, ...
著者Gorman, M.A, Parker, M.W.
登録日2020-03-29
公開日2021-03-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献HIV Integrase core domain in complex with inhibitor
To Be Published
6WE7
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BU of 6we7 by Molmil
HIV Integrase core domain in complex with inhibitor 3-methyl-2-{5-methyl-2-[2-(thiophen-2-yl)ethynyl]-1- benzofuran-3-yl}butanoic acid
分子名称: (2S)-3-methyl-2-{5-methyl-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}butanoic acid, IODIDE ION, Integrase, ...
著者Gorman, M.A, Parker, M.W.
登録日2020-04-01
公開日2021-04-07
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献HIV Integrase core domain in complex with inhibitor
To Be Published
6WM8
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BU of 6wm8 by Molmil
Proliferation-Associated protein 2G4 (PA2G4)
分子名称: Proliferation-associated protein 2G4, SULFATE ION
著者Gorman, M.A, Stevenson, B.W, Parker, M.W.
登録日2020-04-20
公開日2021-04-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献PA2G4: A Structural Perspective
To Be Published
7L1P
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BU of 7l1p by Molmil
HIV Integrase Core domain (IN) in complex with dimer-spanning ligand
分子名称: (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, ...
著者Gorman, M.A, Parker, M.W.
登録日2020-12-15
公開日2021-12-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献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
分子名称: 4-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid, IODIDE ION, Integrase, ...
著者Gorman, M.A, Parker, M.W.
登録日2020-12-17
公開日2021-12-22
実験手法X-RAY DIFFRACTION (1.982 Å)
主引用文献HIV Integrase core domain in complex with inhibitor
To Be Published
3VFL
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BU of 3vfl by Molmil
Structure, Function, Stability and Knockout Phenotype of Dihydrodipicolinate Synthase from Streptococcus pneumoniae
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Dihydrodipicolinate synthase, GLYCEROL, ...
著者Gorman, M.A.
登録日2012-01-10
公開日2013-06-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structure, Function, Stability and Knockout Phenotype of Dihydrodipicolinate Synthase from Streptococcus pneumoniae
To be Published
8E3W
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BU of 8e3w by Molmil
BRD4-D1 in complex with BET inhibitor
分子名称: (4P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-2-methylisoquinolin-1(2H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W.
登録日2022-08-17
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography.
Chem.Commun.(Camb.), 59, 2023
8E17
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BU of 8e17 by Molmil
BRD4-D1 in complex with BET inhibitor
分子名称: (4P,6M)-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-4-[5-(methanesulfonyl)-2-methoxyphenyl]-2-methylisoquinolin-1(2H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W.
登録日2022-08-09
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography.
Chem.Commun.(Camb.), 59, 2023
8DYR
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BU of 8dyr by Molmil
BRD4-D1 in complex with BET inhibitor
分子名称: (4P,6P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-2-methylisoquinolin-1(2H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W.
登録日2022-08-04
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography.
Chem.Commun.(Camb.), 59, 2023
2R5G
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BU of 2r5g by Molmil
Structure of human CLIC2, crystal form B
分子名称: Chloride intracellular channel protein 2
著者Gorman, M.A, Hansen, G, Cromer, B.A, Parker, M.W.
登録日2007-09-03
公開日2007-11-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure of the Janus Protein Human CLIC2
J.Mol.Biol., 374, 2007
5VP3
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BU of 5vp3 by Molmil
Light-sensitive photoprotein
分子名称: CADMIUM ION, Mnemiopsin 1, NICKEL (II) ION, ...
著者Gorman, M.A, Parker, M.W.
登録日2017-05-04
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献Reaction mechanism of the bioluminescent protein mnemiopsin1 revealed by X-ray crystallography and QM/MM simulations.
J. Biol. Chem., 294, 2019
6VKA
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BU of 6vka by Molmil
HIV Integrase Core domain (IN) in complex with dimer-spanning ligand
分子名称: 2,2'-{ethane-1,2-diylbis[oxyethane-2,1-diylcarbamoyl-4,1-phenyleneethyne-2,1-diyl(5-methyl-1-benzofuran-2,3-diyl)]}diacetic acid, IODIDE ION, Integrase, ...
著者Gorman, M.A, Parker, M.W.
登録日2020-01-19
公開日2021-01-20
実験手法X-RAY DIFFRACTION (1.863 Å)
主引用文献HIV Integrase core domain (IN) in complex with dimeric spanning inhibitor
To Be Published
6VLH
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BU of 6vlh by Molmil
HIV Integrase Core domain (IN) in complex with dimer-spanning ligand
分子名称: (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, ...
著者Gorman, M.A, Parker, M.W.
登録日2020-01-24
公開日2021-01-27
実験手法X-RAY DIFFRACTION (2.036 Å)
主引用文献HIV Integrase core domain (IN) in complex with dimeric spanning inhibitor
To Be Published
4FHA
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BU of 4fha by Molmil
Structure of Dihydrodipicolinate Synthase from Streptococcus pneumoniae,bound to pyruvate and lysine
分子名称: Dihydrodipicolinate synthase, LYSINE, SODIUM ION
著者Perugini, M.A, Dogovski, C, Parker, M.W, Gorman, M.A.
登録日2012-06-06
公開日2013-09-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structure, Function, Stability and Knockout Phenotype of Dihydrodipicolinate Synthase from Streptococcus pneumoniae
To be Published

 

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