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2VLT
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Crystal structure of barley thioredoxin h isoform 2 in the oxidized state
分子名称: THIOREDOXIN H ISOFORM 2.
著者Maeda, K, Hagglund, P, Finnie, C, Svensson, B, Henriksen, A.
登録日2008-01-16
公開日2008-04-29
最終更新日2017-07-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of Barley Thioredoxin H Isoforms Hvtrxh1 and Hvtrxh2 Reveal Features Involved in Protein Recognition and Possibly in Discriminating the Isoform Specificity.
Protein Sci., 17, 2008
2V00
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X-ray crystal structure of endothiapepsin complexed with compound 1
分子名称: 2-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-4(3H)-ONE, ACETATE ION, ENDOTHIAPEPSIN, ...
著者Geschwindner, S, Olsson, L.L, Deinum, J, Albert, J.S, Edwards, P.D, De Beer, T, Folmer, R.H.A.
登録日2007-05-03
公開日2007-12-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of a Novel Warhead Against Beta-Secretase Through Fragment-Based Lead Generation.
J.Med.Chem., 50, 2007
2UZI
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Crystal structure of HRAS(G12V) - anti-RAS Fv complex
分子名称: ANTI-RAS FV HEAVY CHAIN, ANTI-RAS FV LIGHT CHAIN, GTPASE HRAS, ...
著者Tanaka, T, williams, R.L, Rabbitts, T.H.
登録日2007-04-27
公開日2007-06-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Tumour Prevention by a Single Antibody Domain Targeting the Interaction of Signal Transduction Proteins with Ras.
Embo J., 26, 2007
7VE2
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Crystal Structure of Lopinavir bound Plasmepsin II (PMII) from Plasmodium falciparum
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, Plasmepsin II
著者Mishra, V, Rathore, I, Bhaumik, P.
登録日2021-09-07
公開日2023-02-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Inhibition of Plasmodium falciparum plasmepsins by drugs targeting HIV-1 protease: A way forward for antimalarial drug discovery.
Curr Res Struct Biol, 7, 2024
7VE0
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Crystal Structure of Ritonavir bound Plasmepsin II (PMII) from Plasmodium falciparum
分子名称: 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Plasmepsin II, ...
著者Mishra, V, Rathore, I, Bhaumik, P.
登録日2021-09-07
公開日2023-02-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Inhibition of Plasmodium falciparum plasmepsins by drugs targeting HIV-1 protease: A way forward for antimalarial drug discovery.
Curr Res Struct Biol, 7, 2024
2VIE
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BU of 2vie by Molmil
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
2V0B
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BU of 2v0b by Molmil
SAD Structure solution porcine pancreatic elastase from a Selenate derivative
分子名称: CALCIUM ION, ELASTASE-1, SELENATE ION
著者Jakoncic, J, Stojanoff, V.
登録日2007-05-11
公開日2008-06-03
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Substitution of Sulfate in Crystallization Solution to Improve Phases
To be Published
2V1K
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BU of 2v1k by Molmil
Crystal structure of ferrous deoxymyoglobin at pH 6.8
分子名称: GLYCEROL, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Hersleth, H.-P, Gorbitz, C.H, Andersson, K.K.
登録日2007-05-24
公開日2007-06-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystallographic and Spectroscopic Studies of Peroxide-Derived Myoglobin Compound II and Occurrence of Protonated Fe(Iv)-O
J.Biol.Chem., 282, 2007
7VSY
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BU of 7vsy by Molmil
Pim1 with N82K mutation
分子名称: Serine/threonine-protein kinase pim-1
著者Hsu, C.Y, Tzeng, S.R.
登録日2021-10-27
公開日2023-12-27
実験手法X-RAY DIFFRACTION (2.141 Å)
主引用文献Pim1 with N82K mutation
To Be Published
2V1R
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BU of 2v1r by Molmil
Yeast Pex13 SH3 domain complexed with a peptide from Pex14 at 2.1 A resolution
分子名称: PEROXISOMAL MEMBRANE PROTEIN PAS20, PEX14
著者Kursula, I, Kursula, P, Lehmann, F, Zou, P, Song, Y.H, Wilmanns, M.
登録日2007-05-29
公開日2008-06-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Genomics of Yeast SH3 Domains
To be Published
7WBE
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BU of 7wbe by Molmil
Crystal structure of lysozyme (multilcrystal diffraction, CrystFEL/MOSFLM)
分子名称: CHLORIDE ION, Lysozyme C
著者Nam, K.H.
登録日2021-12-16
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Processing of Multicrystal Diffraction Patterns in Macromolecular Crystallography Using Serial Crystallography Programs.
Crystals, 12, 2022
7WBD
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BU of 7wbd by Molmil
Crystal structure of lysozyme (multilcrystal diffraction, CrystFEL/XGANDALF)
分子名称: CHLORIDE ION, Lysozyme C
著者Nam, K.H.
登録日2021-12-16
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Processing of Multicrystal Diffraction Patterns in Macromolecular Crystallography Using Serial Crystallography Programs.
Crystals, 12, 2022
7WBF
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BU of 7wbf by Molmil
Crystal structure of lysozyme
分子名称: CHLORIDE ION, Lysozyme C
著者Nam, K.H.
登録日2021-12-16
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Processing of Multicrystal Diffraction Patterns in Macromolecular Crystallography Using Serial Crystallography Programs.
Crystals, 12, 2022
2VJ7
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BU of 2vj7 by Molmil
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
7WKR
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BU of 7wkr by Molmil
Room temperature structure of lysozyme solved by serial synchrotron crystallography
分子名称: CHLORIDE ION, Lysozyme C
著者Nam, K.H.
登録日2022-01-11
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Combination of an inject-and-transfer system for serial femtosecond crystallography.
J.Appl.Crystallogr., 55, 2022
2W9P
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BU of 2w9p by Molmil
Crystal Structure of Potato Multicystatin
分子名称: MULTICYSTATIN
著者Nissen, M.S, Kumar, G.N, Youn, B, Knowles, D.B, Lam, K.S, Ballinger, W.J, Knowles, N.R, Kang, C.
登録日2009-01-28
公開日2010-02-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Characterization of Solanum Tuberosum Multicystatin and its Structural Comparison with Other Cystatins.
Plant Cell, 21, 2009
7W5O
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BU of 7w5o by Molmil
Crystal structure of ERK2 with an allosteric inhibitor
分子名称: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 13-[4-({Imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Yoshida, M, Kinoshita, T.
登録日2021-11-30
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Identification of a novel target site for ATP-independent ERK2 inhibitors.
Biochem.Biophys.Res.Commun., 593, 2022
2WHW
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BU of 2whw by Molmil
Selective oxidation of carbolide C-H bonds by engineered macrolide P450 monooxygenase
分子名称: CYCLOTRIDECYL 3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSIDE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Li, S, Chaulagain, M.R, Knauff, A.R, Podust, L.M, Montgomery, J, Sherman, D.H.
登録日2009-05-07
公開日2009-10-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Selective Oxidation of Carbolide C-H Bonds by an Engineered Macrolide P450 Mono-Oxygenase.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WZ9
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BU of 2wz9 by Molmil
Crystal structure of the thioredoxin domain of human TXNL2
分子名称: GLUTAREDOXIN-3
著者Vollmar, M, Johannson, C, Cocking, R, Pike, A.C.W, Muniz, J.R.C, Edwards, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Kavanagh, K.L.
登録日2009-11-25
公開日2010-03-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal Structure of the Thioredoxin Domain of Human Txnl2
To be Published
2WUB
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BU of 2wub by Molmil
Crystal structure of HGFA in complex with the allosteric non- inhibitory antibody Fab40.deltaTrp
分子名称: FAB FRAGMENT FAB40.DELTATRP HEAVY CHAIN, FAB FRAGMENT FAB40.DELTATRP LIGHT CHAIN, HEPATOCYTE GROWTH FACTOR ACTIVATOR LONG CHAIN, ...
著者Ganesan, R, Eigenbrot, C, Shia, S.
登録日2009-10-01
公開日2009-12-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Unraveling the Allosteric Mechanism of Serine Protease Inhibition by an Antibody
Structure, 17, 2009
2WI9
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Selective oxidation of carbolide C-H bonds by engineered macrolide P450 monooxygenase
分子名称: CYCLODODECYL 3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSIDE, CYTOCHROME P450 HYDROXYLASE PIKC, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Li, S, Chaulagain, M.R, Knauff, A.R, Podust, L.M, Montgomery, J, Sherman, D.H.
登録日2009-05-08
公開日2009-10-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Selective Oxidation of Carbolide C-H Bonds by an Engineered Macrolide P450 Mono-Oxygenase.
Proc.Natl.Acad.Sci.USA, 106, 2009
2X6L
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BU of 2x6l by Molmil
X-ray Structure of Macrophage Inflammatory Protein-1 beta
分子名称: C-C MOTIF CHEMOKINE 4, GLYCEROL
著者Guo, Q, Ren, M, Tang, W.
登録日2010-02-17
公開日2010-11-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Polymerization of Mip-1 Chemokine (Ccl3 and Ccl4) and Clearance of Mip-1 by Insulin-Degrading Enzyme.
Embo J., 29, 2010
7WL3
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CVB5 expended empty particle
分子名称: Capsid protein, Genome polyprotein
著者Yang, P, Wang, K.
登録日2022-01-12
公開日2022-03-30
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Atomic Structures of Coxsackievirus B5 Provide Key Information on Viral Evolution and Survival.
J.Virol., 96, 2022
2X77
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Crystal Structure of Leishmania major ADP ribosylation factor-like 1.
分子名称: ADP-RIBOSYLATION FACTOR, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Fleming, J.R, Dawson, A, Hunter, W.N.
登録日2010-02-24
公開日2010-03-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Leishmania Major Adp Ribosylation Factor-Like 1 and a Classification of Related Gtpase Family Members in This Kinetoplastid.
Mol.Biochem.Parasitol., 174, 2010
2W7S
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SplA serine protease of Staphylococcus aureus (1.8A)
分子名称: SERINE PROTEASE SPLA
著者Stec-Niemczyka, J, Pustelny, K, Kisielewska, M, Bista, M, Boulware, K.T, Stennicke, H.R, Thogersen, I.B, Daugherty, P.S, Enghild, J.J, Popowicz, G.M, Dubin, A, Potempa, J, Dubin, G.
登録日2008-12-30
公開日2010-03-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Functional Characterization of Spla, an Exclusively Specific Protease of Staphylococcus Aureus
Biochem.J., 419, 2009

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