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2PSU
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Crystal Structure of wild type HIV-1 protease in complex with CARB-AD37
分子名称: ACETATE ION, N-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYLMETHYL)[(3-METHOXYPHENYL)SULFONYL]AMINO}-2-HYDROXYPROPYL]-N'-METHYLSUCCINAMIDE, PHOSPHATE ION, ...
著者Schiffer, C.A, Nalam, M.N.L.
登録日2007-05-07
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Design of Mutation-resistant HIV Protease Inhibitors with the Substrate Envelope Hypothesis.
Chem.Biol.Drug Des., 69, 2007
3ZZE
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Crystal structure of C-MET kinase domain in complex with N'-((3Z)-4- chloro-7-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-2-(4- hydroxyphenyl)propanohydrazide
分子名称: (2S)-N'-[(3R)-4-chloro-7-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-2-(4-hydroxyphenyl)propanehydrazide, HEPATOCYTE GROWTH FACTOR RECEPTOR
著者McTigue, M, Deng, Y, Ryan, K, Cui, J.J.
登録日2011-08-31
公開日2011-09-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer.
J.Med.Chem., 55, 2012
4ATL
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BU of 4atl by Molmil
Crystal structure of Raucaffricine glucosidase in complex with Glucose
分子名称: RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, beta-D-glucopyranose
著者Xia, L, Rajendran, C, Ruppert, M, Panjikar, S, Wang, M, Stoeckigt, J.
登録日2012-05-08
公開日2013-01-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献High Speed X-Ray Analysis of Plant Enzymes at Room Temperature
Phytochemistry, 91, 2013
4ATD
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Crystal structure of native Raucaffricine glucosidase
分子名称: RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, SULFATE ION
著者Xia, L, Rajendran, C, Ruppert, M, Panjikar, S, Wang, M, Stoeckigt, J.
登録日2012-05-05
公開日2013-01-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献High Speed X-Ray Analysis of Plant Enzymes at Room Temperature
Phytochemistry, 91, 2013
4DBK
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BU of 4dbk by Molmil
Crystal structure of porcine pancreatic phospholipase A2 complexed with berberine
分子名称: BERBERINE, CALCIUM ION, Phospholipase A2, ...
著者Naveen, C.D, Abhilash, J, Prasanth, G.K, Sadasivan, C, Haridas, M.
登録日2012-01-16
公開日2012-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of porcine pancreatic phospholipase A2 complexed with berberine
To be Published
7FQH
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BU of 7fqh by Molmil
Crystal Structure of human Legumain in complex with (2S)-N-[(3S)-5-amino-5-oxopent-1-yn-3-yl]-1-[1-[4-(cyclopropylmethoxy)phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxamide
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Legumain, ...
著者Ehler, A, Benz, J, Bartels, B, Hewings-David, S, Rudolph, M.G.
登録日2022-10-05
公開日2023-10-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystal Structure of a human Legumain complex
To be published
7FYP
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Crystal Structure of human FABP4 in complex with (1S,2S)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylcyclopropane-1-carboxylic acid
分子名称: (1S,2S)-2-({[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)cyclopropane-1-carboxylic acid, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Woltering, T, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
4A7D
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X-ray crystal structure of HEWL flash-cooled at high pressure
分子名称: CHLORIDE ION, LYSOZYME C, SODIUM ION
著者Burkhardt, A, Warmer, M, Panneerselvam, S, Wagner, A, Reimer, R, Hohenberg, H, Meents, A.
登録日2011-11-14
公開日2011-11-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.497 Å)
主引用文献Fast High-Pressure Freezing of Protein Crystals in Their Mother Liquor
Acta Crystallogr.,Sect.F, 68, 2012
4A7E
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X-ray crystal structure of porcine insulin flash-cooled at high pressure
分子名称: INSULIN A CHAIN, INSULIN B CHAIN
著者Burkhardt, A, Warmer, M, Panneerselvam, S, Wagner, A, Reimer, R, Hohenberg, H, Meents, A.
登録日2011-11-14
公開日2011-11-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.856 Å)
主引用文献Fast High-Pressure Freezing of Protein Crystals in Their Mother Liquor
Acta Crystallogr.,Sect.F, 68, 2012
4F7P
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Crystal Structure of HLA-A*2402 Complexed with a Newly Identified Peptide from 2009H1N1 PB1 (496-505)
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ...
著者Liu, J, Zhang, S, Tan, S, Yi, Y, Wu, B, Zhu, F, Wang, H, Qi, J, Gao, G.F.
登録日2012-05-16
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cross-Allele Cytotoxic T Lymphocyte Responses against 2009 Pandemic H1N1 Influenza A Virus among HLA-A24 and HLA-A3 Supertype-Positive Individuals.
J.Virol., 86, 2012
4B4Q
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BU of 4b4q by Molmil
Crystal Structure of the lectin domain of F18 fimbrial adhesin FedF in complex with blood group A type 1 hexasaccharide
分子名称: F18 FIMBRIAL ADHESIN AC, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Moonens, K, Bouckaert, J, Coddens, A, Tran, T, Panjikar, S, De Kerpel, M, Cox, E, Remaut, H, De Greve, H.
登録日2012-07-31
公開日2012-08-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insight in Histo-Blood Group Binding by the F18 Fimbrial Adhesin Fedf.
Mol.Microbiol., 86, 2012
4B4R
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Crystal Structure of the lectin domain of F18 fimbrial adhesin FedF in complex with blood group B type 1 hexasaccharide
分子名称: F18 FIMBRIAL ADHESIN AC, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Moonens, K, Bouckaert, J, Coddens, A, Tran, T, Panjikar, S, De Kerpel, M, Cox, E, Remaut, H, De Greve, H.
登録日2012-07-31
公開日2012-08-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Insight in Histo-Blood Group Binding by the F18 Fimbrial Adhesin Fedf.
Mol.Microbiol., 86, 2012
2PSV
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BU of 2psv by Molmil
Crystal Structure of wild type HIV-1 protease in complex with CARB-KB45
分子名称: ACETATE ION, N-{(1S,2R)-1-BENZYL-3-[(CYCLOPROPYLMETHYL)(2-FURYLSULFONYL)AMINO]-2-HYDROXYPROPYL}-N'-METHYLSUCCINAMIDE, PHOSPHATE ION, ...
著者Schiffer, C.A, Nalam, M.N.L.
登録日2007-05-07
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Design of Mutation-resistant HIV Protease Inhibitors with the Substrate Envelope Hypothesis.
Chem.Biol.Drug Des., 69, 2007
4F7M
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BU of 4f7m by Molmil
Crystal Structure of HLA-A*2402 Complexed with a Newly Identified Peptide from 2009 H1N1 PA (649-658)
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ...
著者Liu, J, Zhang, S, Tan, S, Yi, Y, Wu, B, Zhu, F, Wang, H, Qi, J, George, F.G.
登録日2012-05-16
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Cross-Allele Cytotoxic T Lymphocyte Responses against 2009 Pandemic H1N1 Influenza A Virus among HLA-A24 and HLA-A3 Supertype-Positive Individuals.
J.Virol., 86, 2012
3ZJ6
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BU of 3zj6 by Molmil
Crystal of Raucaffricine Glucosidase in complex with inhibitor
分子名称: (1R,2S,3S,4R,5R)-4-(cyclohexylmethylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol, RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, SULFATE ION
著者Xia, L, Lin, H, Panjikar, S, Ruppert, M, Castiglia, A, Rajendran, C, Wang, M, Schuebel, H, Warzecha, H, Jaeger, V, Stoeckigt, J.
登録日2013-01-17
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ligand Structures of Synthetic Deoxa-Pyranosylamines with Raucaffricine and Strictosidine Glucosidases Provide Structural Insights Into Their Binding and Inhibitory Behaviours.
J.Enzyme.Inhib.Med.Chem., 30, 2015
3ZPO
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BU of 3zpo by Molmil
Crystal structure of JmjC domain of human histone demethylase UTY with bound GSK J1
分子名称: 1,2-ETHANEDIOL, 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, FE (II) ION, ...
著者Vollmar, M, Gileadi, C, Shrestha, L, Goubin, S, Johansson, C, Krojer, T, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
登録日2013-02-28
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human Uty(Kdm6C) is a Male-Specific Nepislon-Methyl Lysyl Demethylase.
J.Biol.Chem., 289, 2014
3VSV
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BU of 3vsv by Molmil
The complex structure of XylC with xylose
分子名称: Xylosidase, alpha-D-xylopyranose, beta-D-xylopyranose
著者Huang, C.H, Sun, Y, Ko, T.P, Ma, Y, Chen, C.C, Zheng, Y, Chan, H.C, Pang, X, Wiegel, J, Shao, W, Guo, R.T.
登録日2012-05-09
公開日2013-02-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献The substrate/product-binding modes of a novel GH120 beta-xylosidase (XylC) from Thermoanaerobacterium saccharolyticum JW/SL-YS485
Biochem.J., 448, 2012
3VZX
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Crystal structure of PcrB from bacillus subtilis subap. subtilis str. 168
分子名称: CHLORIDE ION, Heptaprenylglyceryl phosphate synthase, MAGNESIUM ION
著者Ren, F, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Chan, H.C, Liu, Y.L, Wang, K, Chen, C.C, Pang, X, He, M, Li, Y, Oldfield, E, Guo, R.T.
登録日2012-10-17
公開日2012-12-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus
Chembiochem, 14, 2013
3VW7
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Crystal structure of human protease-activated receptor 1 (PAR1) bound with antagonist vorapaxar at 2.2 angstrom
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Proteinase-activated receptor 1, ...
著者Zhang, C, Srinivasan, Y, Arlow, D.H, Fung, J.J, Palmer, D, Zheng, Y, Green, H.F, Pandey, A, Dror, R.O, Shaw, D.E, Weis, W.I, Coughlin, S.R, Kobilka, B.K.
登録日2012-08-07
公開日2012-12-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献High-resolution crystal structure of human protease-activated receptor 1
Nature, 492, 2012
3VZY
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Crystal structure of PcrB complexed with G1P from bacillus subtilis subap. subtilis str. 168
分子名称: CHLORIDE ION, Heptaprenylglyceryl phosphate synthase, MAGNESIUM ION, ...
著者Ren, F, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Chan, H.C, Liu, Y.L, Wang, K, Chen, C.C, Pang, X, He, M, Li, Y, Oldfield, E, Guo, R.T.
登録日2012-10-17
公開日2012-12-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus
Chembiochem, 14, 2013
3W00
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BU of 3w00 by Molmil
Crystal structure of PcrB complexed with G1P and FsPP from bacillus subtilis subap. subtilis str. 168
分子名称: Heptaprenylglyceryl phosphate synthase, PHOSPHATE ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ...
著者Ren, F, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Chan, H.C, Liu, Y.L, Wang, K, Chen, C.C, Pang, X, He, M, Li, Y, Oldfield, E, Guo, R.T.
登録日2012-10-17
公開日2012-12-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus
Chembiochem, 14, 2013
4EFR
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Bombyx mori lipoprotein 7 (crystal form II) at 2.50 A resolution
分子名称: 30kDa protein, THIOCYANATE ION
著者Pietrzyk, A.J, Panjikar, S, Bujacz, A, Mueller-Dieckmann, J, Jaskolski, M, Bujacz, G.
登録日2012-03-30
公開日2012-08-29
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献High-resolution structure of Bombyx mori lipoprotein 7: crystallographic determination of the identity of the protein and its potential role in detoxification.
Acta Crystallogr.,Sect.D, 68, 2012
4E7J
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PFV integrase Target Capture Complex, Apo form (TCC-Apo), at 3.15 A resolution
分子名称: DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*CP*CP*CP*GP*AP*GP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*CP*TP*CP*GP*GP*G)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ...
著者Maertens, G.N, Cherepanov, P.
登録日2012-03-17
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.1501 Å)
主引用文献3'-Processing and strand transfer catalysed by retroviral integrase in crystallo.
Embo J., 468, 2012
3WT4
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Structural and kinetic bases for the metal preference of the M18 aminopeptidase from Pseudomonas aeruginosa
分子名称: CARBONATE ION, Probable M18 family aminopeptidase 2, ZINC ION
著者Nguyen, D.D, Pandian, R, Kim, D.D, Ha, S.C, Yoon, H.J, Kim, K.S, Yun, K.H, Kim, J.H, Kim, K.K.
登録日2014-04-07
公開日2014-04-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and kinetic bases for the metal preference of the M18 aminopeptidase from Pseudomonas aeruginosa
Biochem.Biophys.Res.Commun., 447, 2014
3WC8
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Dimeric horse cytochrome c obtained by refolding with desalting method
分子名称: Cytochrome c, DI(HYDROXYETHYL)ETHER, HEME C, ...
著者Parui, P.P, Deshpande, M.S, Nagao, S, Kamikubo, H, Komori, H, Higuchi, Y, Kataoka, M, Hirota, S.
登録日2013-05-25
公開日2013-12-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Formation of Oligomeric Cytochrome c during Folding by Intermolecular Hydrophobic Interaction between N- and C-Terminal alpha-Helices
Biochemistry, 52, 2013

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