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3UT2
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Crystal Structure of Fungal MagKatG2
分子名称: Catalase-peroxidase 2, PROTOPORPHYRIN IX CONTAINING FE
著者Zamocky, M, Garcia-Fernandez, M.Q, Gasselhuber, B, Jakopitsch, C, Furtmuller, P.G, Loewen, P.C, Fita, I, Obinger, C, Carpena, X.
登録日2011-11-24
公開日2012-07-25
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献High Conformational Stability of Secreted Eukaryotic Catalase-peroxidases: ANSWERS FROM FIRST CRYSTAL STRUCTURE AND UNFOLDING STUDIES.
J.Biol.Chem., 287, 2012
7YIC
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Crystal structure of reductase LSADH
分子名称: Short chain alcohol dehydrogenase
著者Tang, J, Liuqing, C.
登録日2022-07-15
公開日2022-11-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献crystal structure of reductase LSADH
To Be Published
3R91
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Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity.
分子名称: (6S)-4,6,15,15,18-pentamethyl-5,17-dioxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide, Heat shock protein HSP 90-alpha
著者Zapf, C.W, Bloom, J.D, McBean, J.L, Dushin, R.G, Nittoli, T, Otteng, M, Ingalls, C, Golas, J.M, Liu, H, Lucas, J, Boschelli, F, Vogan, E, Hu, Y, Levin, J.I.
登録日2011-03-24
公開日2011-05-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.579 Å)
主引用文献Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity.
Bioorg.Med.Chem.Lett., 21, 2011
3RIQ
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BU of 3riq by Molmil
Siphovirus 9NA tailspike receptor binding domain
分子名称: GLYCEROL, Tailspike protein
著者Andres, D, Roske, Y, Doering, C, Heinemann, U, Seckler, R, Barbirz, S.
登録日2011-04-14
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Tail morphology controls DNA release in two Salmonella phages with one lipopolysaccharide receptor recognition system.
Mol.Microbiol., 83, 2012
1A5D
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BU of 1a5d by Molmil
GAMMAE CRYSTALLIN FROM RAT LENS
分子名称: GAMMAE CRYSTALLIN
著者Norledge, B.V, Hay, R, Bateman, O.A, Slingsby, C, Driessen, H.P.C.
登録日1998-02-12
公開日1998-05-27
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Towards a molecular understanding of phase separation in the lens: a comparison of the X-ray structures of two high Tc gamma-crystallins, gammaE and gammaF, with two low Tc gamma-crystallins, gammaB and gammaD.
Exp.Eye Res., 65, 1997
2BQZ
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Crystal structure of a ternary complex of the human histone methyltransferase Pr-SET7 (also known as SET8)
分子名称: HISTONE H4, S-ADENOSYL-L-HOMOCYSTEINE, SET8 PROTEIN
著者Xiao, B, Jing, C, Kelly, G, Walker, P.A, Muskett, F.W, Frenkiel, T.A, Martin, S.R, Sarma, K, Reinberg, D, Gamblin, S.J, Wilson, J.R.
登録日2005-04-28
公開日2005-06-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Specificity and Mechanism of the Histone Methyltransferase Pr-Set7
Genes Dev., 19, 2005
2VIE
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Human BACE-1 in complex with N-((1S,2R)-1-benzyl-2-hydroxy-3-((1,1,5- trimethylhexyl)amino)propyl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl) benzamide
分子名称: BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1,1,5-trimethylhexyl)amino]propyl}-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
著者Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G.
登録日2007-11-30
公開日2008-01-29
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
2BV2
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beta gamma crystallin from Ciona Intestinalis
分子名称: ACETATE ION, CALCIUM ION, CIONA BETAGAMMA-CRYSTALLIN, ...
著者Shimeld, S.M, Purkiss, A.G, Dirks, R.P.H, Bateman, O.A, Slingsby, C, Lubsen, N.H.
登録日2005-06-21
公開日2005-09-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Urochordate Betagamma-Crystallin and the Evolutionary Origin of the Vertebrate Eye Lens.
Curr.Biol., 15, 2005
1O9C
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BU of 1o9c by Molmil
Structural view of a fungal toxin acting on a 14-3-3 regulatory complex
分子名称: 14-3-3-LIKE PROTEIN C, CHLORIDE ION, CITRATE ANION
著者Wurtele, M, Jelich-Ottmann, C, Wittinghofer, A, Oecking, C.
登録日2002-12-12
公開日2003-03-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural View of a Fungal Toxin Acting on a 14-3-3 Regulatory Complex
Embo J., 22, 2003
1O9F
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Structural view of a fungal toxin acting on a 14-3-3 regulatory complex
分子名称: 14-3-3-LIKE PROTEIN C, FUSICOCCIN, PLASMA MEMBRANE H+ ATPASE
著者Wurtele, M, Jelich-Ottmann, C, Wittinghofer, A, Oecking, C.
登録日2002-12-12
公開日2003-03-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural View of a Fungal Toxin Acting on a 14-3-3 Regulatory Complex
Embo J., 22, 2003
1O9E
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Structural view of a fungal toxin acting on a 14-3-3 regulatory complex
分子名称: 14-3-3-LIKE PROTEIN C, CITRATE ANION, FUSICOCCIN
著者Wurtele, M, Jelich-Ottmann, C, Wittinghofer, A, Oecking, C.
登録日2002-12-12
公開日2003-03-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural View of a Fungal Toxin Acting on a 14-3-3 Regulatory Complex
Embo J., 22, 2003
2VJ7
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Human BACE-1 in complex with 3-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-5-(2-oxo-1-pyrrolidinyl)benzamide
分子名称: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
著者Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G.
登録日2007-12-06
公開日2008-01-29
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
3F9P
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BU of 3f9p by Molmil
Crystal structure of myeloperoxidase from human leukocytes
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
著者Carpena, X, Fita, I, Obinger, C.
登録日2008-11-14
公開日2009-07-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Essential role of proximal histidine-asparagine interaction in Mammalian peroxidases.
J.Biol.Chem., 284, 2009
2VIX
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Methylated Shigella flexneri MxiC
分子名称: ACETATE ION, GLYCEROL, PROTEIN MXIC
著者Deane, J.E, Roversi, P, King, C, Johnson, S, Lea, S.M.
登録日2007-12-05
公開日2008-03-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structures of the Shigella Flexneri Type 3 Secretion System Protein Mxic Reveal Conformational Variability Amongst Homologues.
J.Mol.Biol., 377, 2008
2V9A
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Structure of Citrate-free Periplasmic Domain of Sensor Histidine Kinase CitA
分子名称: SENSOR KINASE CITA
著者Sevvana, M, Vijayan, V, Zweckstetter, M, Reinelt, S, Madden, D.R, Sheldrick, G.M, Bott, M, Griesinger, C, Becker, S.
登録日2007-08-23
公開日2008-03-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Ligand-Induced Switch in the Periplasmic Domain of Sensor Histidine Kinase Cita.
J.Mol.Biol., 377, 2008
6SP1
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KEAP1 IN COMPLEX WITH COMPOUND 6
分子名称: (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1
著者Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S.
登録日2019-08-30
公開日2020-06-03
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020
2WF3
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Human BACE-1 in complex with 6-(ethylamino)-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl)methyl)amino)-1-(phenylmethyl)propyl)-1-methyl-1, 3,4,5-tetrahydro-2,1-benzothiazepine-8-carboxamide 2,2-dioxide
分子名称: BETA-SECRETASE 1, GLYCEROL, N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-6-(ETHYLAMINO)-1-METHYL-1,3,4,5-TETRAHYDRO-2,1-BENZOTHIAZEPINE-8-CARBOXAMIDE 2,2-DIOXIDE
著者Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
登録日2009-04-02
公開日2009-05-19
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Second Generation of Bace-1 Inhibitors Part 2: Optimisation of the Non-Prime Side Substituent.
Bioorg.Med.Chem.Lett., 19, 2009
2W0N
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Plasticity of PAS domain and potential role for signal transduction in the histidine-kinase DcuS
分子名称: SENSOR PROTEIN DCUS
著者Etzkorn, M, Kneuper, H, Duennwald, P, Vijayan, V, Kraemer, J, Griesinger, C, Becker, S, Unden, G, Baldus, M.
登録日2008-08-19
公開日2008-09-30
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Plasticity of the Pas Domain and a Potential Role for Signal Transduction in the Histidine Kinase Dcus.
Nat.Struct.Mol.Biol., 15, 2008
2VJ9
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Human BACE-1 in complex with N-((1S,2R)-3-(cyclohexylamino)-2-hydroxy- 1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl) benzamide
分子名称: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
著者Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G.
登録日2007-12-07
公開日2008-01-29
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
2VJ5
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Shigella flexneri MxiC
分子名称: PROTEIN MXIC
著者Deane, J.E, Roversi, P, King, C, Johnson, S, Lea, S.M.
登録日2007-12-06
公開日2008-03-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structures of the Shigella Flexneri Type 3 Secretion System Protein Mxic Reveal Conformational Variability Amongst Homologues.
J.Mol.Biol., 377, 2008
2VIJ
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Human BACE-1 in complex with 3-(1,1-dioxidotetrahydro-2H-1,2-thiazin- 2-yl)-5-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(1,2,3,4- tetrahydro-1-naphthalenylamino)propyl)benzamide
分子名称: BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide
著者Beswick, P, Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Gleave, R, Hawkins, J, Hussain, I, Johnson, C.N, Macpherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Skidmore, J, Soleil, V, Smith, K.J, Stanway, S, Stemp, G, Stuart, A, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G.
登録日2007-12-04
公開日2008-01-29
最終更新日2019-09-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Bace-1 Inhibitors Part 3: Identification of Hydroxy Ethylamines (Heas) with Nanomolar Potency in Cells.
Bioorg.Med.Chem.Lett., 18, 2008
1SNT
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Structure of the human cytosolic sialidase Neu2
分子名称: Sialidase 2
著者Chavas, L.M.G, Fusi, P, Tringali, C, Venerando, B, Tettamanti, G, Kato, R, Monti, E, Wakatsuki, S.
登録日2004-03-12
公開日2004-11-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of the Human Cytosolic Sialidase Neu2: EVIDENCE FOR THE DYNAMIC NATURE OF SUBSTRATE RECOGNITION
J.Biol.Chem., 280, 2005
2BOL
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CRYSTAL STRUCTURE AND ASSEMBLY OF TSP36, A METAZOAN SMALL HEAT SHOCK PROTEIN
分子名称: SMALL HEAT SHOCK PROTEIN, SULFATE ION
著者Stamler, R.J, Kappe, G, Boelens, W.C, Slingsby, C.
登録日2005-04-12
公開日2005-09-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Wrapping the Alpha-Crystallin Domain Fold in a Chaperone Assembly.
J.Mol.Biol., 353, 2005
6SP4
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KEAP1 IN COMPLEX WITH COMPOUND 23
分子名称: (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide, Kelch-like ECH-associated protein 1
著者Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S.
登録日2019-08-30
公開日2020-06-03
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020
2JK4
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Structure of the human voltage-dependent anion channel
分子名称: VOLTAGE-DEPENDENT ANION-SELECTIVE CHANNEL PROTEIN 1
著者Bayrhuber, M, Meins, T, Habeck, M, Becker, S, Giller, K, Villinger, S, Vonrhein, C, Griesinger, C, Zweckstetter, M, Zeth, K.
登録日2008-08-15
公開日2008-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (4.1 Å)
主引用文献Structure of the Human Voltage-Dependent Anion Channel.
Proc.Natl.Acad.Sci.USA, 105, 2008

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