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4ENH
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BU of 4enh by Molmil
Crystal Structure of Human Cytochrome P450 CYP46A1 with Fluvoxamine Bound
分子名称: Cholesterol 24-hydroxylase, Fluvoxamine, PROTOPORPHYRIN IX CONTAINING FE
著者Stout, C.D, Mast, N, Pikuleva, I.A.
登録日2012-04-13
公開日2012-08-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献In Silico and Intuitive Predictions of CYP46A1 Inhibition by Marketed Drugs with Subsequent Enzyme Crystallization in Complex with Fluvoxamine.
Mol.Pharmacol., 82, 2012
3OQA
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BU of 3oqa by Molmil
Crystal Structures of Multidrug-Resistant Clinical Isolate 769 HIV-1 Protease Variants
分子名称: HIV-1 Protease
著者Yedidi, R.S, Proteasa, G, Martinez-Cajas, J.L, Vickrey, J.F, Martin, P.D, Wawrzak, Z, Kovari, L.C.
登録日2010-09-02
公開日2011-04-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Contribution of the 80s loop of HIV-1 protease to the multidrug-resistance mechanism: crystallographic study of MDR769 HIV-1 protease variants.
Acta Crystallogr.,Sect.D, 67, 2011
3OSH
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BU of 3osh by Molmil
Crystal Structure of The Complex of Group 1 Phospholipase A2 With Atropin At 1.5 A Resolution
分子名称: (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE, CALCIUM ION, Phospholipase A2 isoform 3
著者Shukla, P.K, Kaushik, S, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P.
登録日2010-09-09
公開日2010-11-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of The Complex of Group 1 Phospholipase A2 With Atropin At 1.5 A Resolution
To be Published
3P5F
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BU of 3p5f by Molmil
Structure of the carbohydrate-recognition domain of human Langerin with man2 (Man alpha1-2 Man)
分子名称: C-type lectin domain family 4 member K, CALCIUM ION, alpha-D-mannopyranose, ...
著者Feinberg, H, Taylor, M.E, Razi, N, McBride, R, Knirel, Y.A, Graham, S.A, Drickamer, K, Weis, W.I.
登録日2010-10-08
公開日2010-12-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.7501 Å)
主引用文献Structural Basis for Langerin Recognition of Diverse Pathogen and Mammalian Glycans through a Single Binding Site.
J.Mol.Biol., 405, 2011
3OU1
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BU of 3ou1 by Molmil
MDR769 HIV-1 protease complexed with RH/IN hepta-peptide
分子名称: MDR HIV-1 protease, RH/IN substrate peptide
著者Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C.
登録日2010-09-14
公開日2011-03-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease.
Protein J., 30, 2011
3P6V
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BU of 3p6v by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog 3Et-AdaC1-Etg-Boc
分子名称: Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
著者Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
登録日2010-10-11
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog 3Et-AdaC1-Etg-Boc
To be Published
4ET9
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BU of 4et9 by Molmil
Hen egg-white lysozyme solved from 5 fs free-electron laser pulse data
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
登録日2012-04-24
公開日2012-06-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
7F68
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BU of 7f68 by Molmil
Crystal structure of N-ras S89D
分子名称: GTPase NRas, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Li, Y, Sun, Q.
登録日2021-06-24
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Crystal structure of N-ras S89D
To Be Published
4ETD
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BU of 4etd by Molmil
Lysozyme, room-temperature, rotating anode, 0.0026 MGy
分子名称: CHLORIDE ION, Lysozyme C
著者Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
登録日2012-04-24
公開日2012-06-13
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
6G5J
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BU of 6g5j by Molmil
Secreted phospholipase A2 type X in complex with ligand
分子名称: (3~{R})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Sandmark, J, Oster, L.
登録日2018-03-29
公開日2018-09-05
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Design of Selective sPLA2-X Inhibitor (-)-2-{2-[Carbamoyl-6-(trifluoromethoxy)-1H-indol-1-yl]pyridine-2-yl}propanoic Acid.
ACS Med Chem Lett, 9, 2018
6G5O
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BU of 6g5o by Molmil
The structure of a carbohydrate active P450
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Robb, C.S, Hehemann, J.H.
登録日2018-03-29
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Specificity and mechanism of carbohydrate demethylation by cytochrome P450 monooxygenases.
Biochem. J., 475, 2018
3OY5
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BU of 3oy5 by Molmil
The crystal structure of uPA complex with peptide inhibitor MH027 at pH7.4
分子名称: MH027, SULFATE ION, Urokinase-type plasminogen activator
著者Jiang, L.G, Andreasen, P.A, Huang, M.D.
登録日2010-09-22
公開日2011-08-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献The binding mechanism of a peptidic cyclic serine protease inhibitor
J.Mol.Biol., 412, 2011
6G5T
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BU of 6g5t by Molmil
Myoglobin H64V/V68A in the resting state, 1.5 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Tinzl, M, Hayashi, T, Mori, T, Hilvert, D.
登録日2018-03-30
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme
Nat Catal, 1, 2018
6G5V
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BU of 6g5v by Molmil
The X-ray structure of the adduct formed in the reaction between lysozyme and a platinum(II) terpyridine compound (pH 7.0)
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ...
著者Merlino, A, Ferraro, G.
登録日2018-03-30
公開日2018-07-04
最終更新日2018-07-11
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献A case of extensive protein platination: the reaction of lysozyme with a Pt(ii)-terpyridine complex.
Dalton Trans, 47, 2018
7F4Z
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BU of 7f4z by Molmil
X-ray crystal structure of Y149A mutated Hsp72-NBD in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Heat shock 70 kDa protein 1B, ...
著者Yokoyama, T, Fujii, S, Nabeshima, Y, Mizuguchi, M.
登録日2021-06-21
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Neutron crystallographic analysis of the nucleotide-binding domain of Hsp72 in complex with ADP.
Iucrj, 9, 2022
7F4X
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BU of 7f4x by Molmil
Joint neutron and X-ray crystal structure of the nucleotide-binding domain of Hsp72 in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1B, MAGNESIUM ION, ...
著者Yokoyama, T, Ostermann, A, Schrader, T.E.
登録日2021-06-21
公開日2022-06-29
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION
主引用文献Neutron crystallographic analysis of the nucleotide-binding domain of Hsp72 in complex with ADP.
Iucrj, 9, 2022
7F2X
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BU of 7f2x by Molmil
Crystal structure of MEK1 C121S mutant
分子名称: MEK1 F11, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Fujioka, Y, Noda, N.N.
登録日2021-06-15
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.007 Å)
主引用文献Qualitative differences in disease-associated MEK mutants reveal molecular signatures and aberrant signaling-crosstalk in cancer.
Nat Commun, 13, 2022
7F50
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BU of 7f50 by Molmil
X-ray crystal structure of Y149A mutated Hsp72-NBD in complex with AMPPnP
分子名称: CHLORIDE ION, Heat shock 70 kDa protein 1B, MAGNESIUM ION, ...
著者Yokoyama, T, Fujii, S, Nabeshima, Y, Mizuguchi, M.
登録日2021-06-21
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.703 Å)
主引用文献Neutron crystallographic analysis of the nucleotide-binding domain of Hsp72 in complex with ADP.
Iucrj, 9, 2022
3OK9
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BU of 3ok9 by Molmil
Crystal structure of wild-type HIV-1 protease with new oxatricyclic designed inhibitor GRL-0519A
分子名称: (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, GLYCEROL, ...
著者Wang, Y.-F, Agniswamy, J, Weber, I.T.
登録日2010-08-24
公開日2010-09-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Probing Multidrug-Resistance and Protein-Ligand Interactions with Oxatricyclic Designed Ligands in HIV-1 Protease Inhibitors.
Chemmedchem, 5, 2010
4E7T
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BU of 4e7t by Molmil
The structure of T6 bovine insulin
分子名称: Insulin A chain, Insulin B chain, ZINC ION
著者Harris, P, Frankaer, C.G, Knudsen, M.V.
登録日2012-03-19
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The structures of T(6), T(3)R(3) and R(6) bovine insulin: combining X-ray diffraction and absorption spectroscopy.
Acta Crystallogr.,Sect.D, 68, 2012
7FAG
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BU of 7fag by Molmil
Room temperature structure of elastase with high-strength agarose hydrogel
分子名称: CALCIUM ION, Chymotrypsin-like elastase family member 1, SULFATE ION, ...
著者Sugiyama, S, Kakinouchi, K, Adachi, H, Murata, M, Mori, Y.
登録日2021-07-06
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Room temperature structure of elastase with high-strength agarose hydrogel
To Be Published
3P68
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Time-dependent and Protein-directed In Situ Growth of Gold Nanoparticles in a Single Crystal of Lysozyme
分子名称: GOLD 3+ ION, Lysozyme C
著者Wei, H, Wang, Z, Zhang, J, House, S, Gao, Y.-G, Yang, L, Robinson, H, Tan, L.H, Xing, H, Hou, C, Robertson, I.M, Zuo, J.-M, Lu, Y.
登録日2010-10-11
公開日2011-02-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Time-dependent, protein-directed growth of gold nanoparticles within a single crystal of lysozyme.
Nat Nanotechnol, 6, 2011
3P6G
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BU of 3p6g by Molmil
Human adipocyte lipid-binding protein FABP4 in complex with (R)-ibuprofen
分子名称: (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, Fatty acid-binding protein, adipocyte
著者Gonzalez, J.M, Pozharski, E.
登録日2010-10-11
公開日2011-04-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural analysis of ibuprofen binding to human adipocyte fatty-acid binding protein (FABP4).
Acta Crystallogr F Struct Biol Commun, 71, 2015
3P6S
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BU of 3p6s by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC2-C8-Dans
分子名称: Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
著者Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
登録日2010-10-11
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC2-C8-Dans
To be Published
4EF0
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BU of 4ef0 by Molmil
Crystal Structure of the first catalytic domain of protein disulfide isomerase P5
分子名称: Protein disulfide-isomerase A6
著者Vinaik, R, Kozlov, G, Gehring, K.
登録日2012-03-28
公開日2013-04-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of the first catalytic domain of protein disulfide isomerase P5
To be Published

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