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PDB: 280 件
2OC8
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Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH503034
分子名称: BETA-MERCAPTOETHANOL, Hepatitis C virus, ZINC ION, ...
著者Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R.S, Arasappan, A, Bennett, F, Bogen, S.L, Chen, K, Jao, E, Liu, Y.T, Lovey, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
登録日2006-12-20
公開日2007-07-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
2OBO
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Structure of HEPATITIS C VIRAL NS3 protease domain complexed with NS4A peptide and ketoamide SCH476776
分子名称: BETA-MERCAPTOETHANOL, HCV NS3 protease, HCV NS4A peptide, ...
著者Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
登録日2006-12-19
公開日2007-07-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
5CPL
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The crystal structure of Xenobiotic reductase A (XenA) from Pseudomonas putida in complex with a nicotinamide mimic (mNH2)
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 1-benzyl-1,4,5,6-tetrahydropyridine-3-carboxamide, CALCIUM ION, ...
著者Knaus, T, Paul, C.E, Levy, C.W, Mutti, F.G, Hollmann, F, Scrutton, N.S.
登録日2015-07-21
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Better than Nature: Nicotinamide Biomimetics That Outperform Natural Coenzymes.
J.Am.Chem.Soc., 138, 2016
5CPN
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Crystal structure of XenA from Pseudomonas putida in complex with an NADH mimic (mAc)
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 1-[(3S)-1-benzylpiperidin-3-yl]ethanone, Xenobiotic reductase
著者Knaus, T, Paul, C.E, Levy, C.W, Mutti, F.G, Hollmann, F, Scrutton, N.S.
登録日2015-07-21
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Better than Nature: Nicotinamide Biomimetics That Outperform Natural Coenzymes.
J.Am.Chem.Soc., 138, 2016
5CPM
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XenA from Pseudomonas putida in complex with NADPH4.
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Xenobiotic reductase
著者Knaus, T, Paul, C.E, Levy, C.W, Mutti, F.G, Hollmann, F, Scrutton, N.S.
登録日2015-07-21
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Better than Nature: Nicotinamide Biomimetics That Outperform Natural Coenzymes.
J.Am.Chem.Soc., 138, 2016
4FQ9
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Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa
分子名称: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase, GLYCEROL, PHOSPHATE ION
著者Moynie, L, Mcmahon, S.A, Duthie, F.G, Naismith, J.H.
登録日2012-06-25
公開日2013-03-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural insights into the mechanism and inhibition of the beta-hydroxydecanoyl-acyl carrier protein dehydratase from Pseudomonas aeruginosa
J.Mol.Biol., 425, 2013
3L37
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PIE12 D-peptide against HIV entry
分子名称: GP41 N-PEPTIDE, HIV ENTRY INHIBITOR PIE12
著者Welch, B.D, Redman, J.S, Paul, S, Whitby, F.G, Weinstock, M.T, Reeves, J.D, Lie, Y.S, Eckert, D.M, Hill, C.P, Root, M.J, Kay, M.S.
登録日2009-12-16
公開日2010-11-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Design of a potent D-peptide HIV-1 entry inhibitor with a strong barrier to resistance.
J.Virol., 84, 2010
3L35
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PIE12 D-peptide against HIV entry
分子名称: GP41 N-PEPTIDE, HIV ENTRY INHIBITOR PIE12
著者Welch, B.D, Redman, J.S, Paul, S, Whitby, F.G, Weinstock, M.T, Reeves, J.D, Lie, Y.S, Eckert, D.M, Hill, C.P, Root, M.J, Kay, M.S.
登録日2009-12-16
公開日2010-11-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Design of a potent D-peptide HIV-1 entry inhibitor with a strong barrier to resistance.
J.Virol., 84, 2010
3L36
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PIE12 D-peptide against HIV entry
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GP41 N-PEPTIDE, HIV ENTRY INHIBITOR PIE12
著者Welch, B.D, Redman, J.S, Paul, S, Whitby, F.G, Weinstock, M.T, Reeves, J.D, Lie, Y.S, Eckert, D.M, Hill, C.P, Root, M.J, Kay, M.S.
登録日2009-12-16
公開日2010-11-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Design of a potent D-peptide HIV-1 entry inhibitor with a strong barrier to resistance.
J.Virol., 84, 2010
4LCB
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Structure of Vps4 homolog from Acidianus hospitalis
分子名称: CHLORIDE ION, Cell division protein CdvC, Vps4
著者Han, H, Hill, C.P, Whitby, F.G, Monroe, N.
登録日2013-06-21
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献The Oligomeric State of the Active Vps4 AAA ATPase.
J.Mol.Biol., 426, 2014
4LGM
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BU of 4lgm by Molmil
Crystal Structure of Sulfolobus solfataricus Vps4
分子名称: CHLORIDE ION, Vps4 AAA ATPase
著者Han, H, Hill, C.P, Whitby, F.G, Monroe, N.
登録日2013-06-28
公開日2013-11-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.711 Å)
主引用文献The Oligomeric State of the Active Vps4 AAA ATPase.
J.Mol.Biol., 426, 2014
6NBF
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BU of 6nbf by Molmil
Cryo-EM structure of parathyroid hormone receptor type 1 in complex with a long-acting parathyroid hormone analog and G protein
分子名称: CHOLESTEROL, Gs protein alpha subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhao, L.-H, Ma, S, Sutkeviciute, I, Shen, D.-D, Zhou, X.E, de Waal, P.P, Li, C.-Y, Kang, Y, Clark, L.J, Jean-Alphonse, F.G, White, A.D, Xiao, K, Yang, D, Jiang, Y, Watanabe, T, Gardella, T.J, Melcher, K, Wang, M.-W, Vilardaga, J.-P, Xu, H.E, Zhang, Y.
登録日2018-12-07
公開日2019-04-17
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure and dynamics of the active human parathyroid hormone receptor-1.
Science, 364, 2019
6NBI
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Cryo-EM structure of parathyroid hormone receptor type 1 in complex with a long-acting parathyroid hormone analog and G protein
分子名称: CHOLESTEROL, Gs protein alpha subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhao, L.-H, Ma, S, Sutkeviciute, I, Shen, D.-D, Zhou, X.E, de Waal, P.P, Li, C.-Y, Kang, Y, Clark, L.J, Jean-Alphonse, F.G, White, A.D, Xiao, K, Yang, D, Jiang, Y, Watanabe, T, Gardella, T.J, Melcher, K, Wang, M.-W, Vilardaga, J.-P, Xu, H.E, Zhang, Y.
登録日2018-12-07
公開日2019-04-17
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structure and dynamics of the active human parathyroid hormone receptor-1.
Science, 364, 2019
6NBH
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BU of 6nbh by Molmil
Cryo-EM structure of parathyroid hormone receptor type 1 in complex with a long-acting parathyroid hormone analog and G protein
分子名称: CHOLESTEROL, Gs protein alpha subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhao, L.-H, Ma, S, Sutkeviciute, I, Shen, D.-D, Zhou, X.E, de Waal, P.P, Li, C.-Y, Kang, Y, Clark, L.J, Jean-Alphonse, F.G, White, A.D, Xiao, K, Yang, D, Jiang, Y, Watanabe, T, Gardella, T.J, Melcher, K, Wang, M.-W, Vilardaga, J.-P, Xu, H.E, Zhang, Y.
登録日2018-12-07
公開日2019-04-17
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure and dynamics of the active human parathyroid hormone receptor-1.
Science, 364, 2019
4MZ4
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BU of 4mz4 by Molmil
Discovery of an Irreversible HCV NS5B Polymerase Inhibitor
分子名称: 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase
著者Zeng, Q, Anilkumar, G.N, Rosenblum, S.B, Huang, H.-C, Lesburg, C.A, Jiang, Y, Selyutin, O, Chan, T.-Y, Bennett, F, Chen, K.X, Venkatraman, S, Sannigrahi, M, Velazquez, F, Duca, J.S, Gavalas, S, Huang, Y, Pu, H, Wang, L, Pinto, P, Vibulbhan, B, Agrawal, S, Ferrari, E, Jiang, C.-K, Li, C, Hesk, D, Gesell, J, Sorota, S, Shih, N.-Y, Njoroge, F.G, Kozlowski, J.A.
登録日2013-09-29
公開日2013-12-11
最終更新日2013-12-18
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Discovery of an irreversible HCV NS5B polymerase inhibitor.
Bioorg.Med.Chem.Lett., 23, 2013
1AK5
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INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) FROM TRITRICHOMONAS FOETUS
分子名称: INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE, SULFATE ION
著者Whitby, F.G.
登録日1997-05-28
公開日1997-09-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of Tritrichomonas foetus inosine-5'-monophosphate dehydrogenase and the enzyme-product complex.
Biochemistry, 36, 1997
2KDK
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BU of 2kdk by Molmil
Structure of human circadian clock protein BMAL2 C-terminal PAS domain
分子名称: Aryl hydrocarbon receptor nuclear translocator-like protein 2
著者Wasielewski, E, Correia, C, Prendergast, F.G, Mer, G.
登録日2009-01-10
公開日2011-04-13
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of human circadian clock protein BMAL2 C-terminal PAS domain
To be Published
1ATL
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Structural interaction of natural and synthetic inhibitors with the VENOM METALLOPROTEINASE, ATROLYSIN C (FORM-D)
分子名称: CALCIUM ION, O-methyl-N-[(2S)-4-methyl-2-(sulfanylmethyl)pentanoyl]-L-tyrosine, Snake venom metalloproteinase atrolysin-D, ...
著者Zhang, D, Botos, I, Gomis-Rueth, F.-X, Doll, R, Blood, C, Njoroge, F.G, Fox, J.W, Bode, W, Meyer, E.F.
登録日1995-05-26
公開日1995-10-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural interaction of natural and synthetic inhibitors with the venom metalloproteinase, atrolysin C (form d).
Proc.Natl.Acad.Sci.USA, 91, 1994
2HTH
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Structural basis for ubiquitin recognition by the human EAP45/ESCRT-II GLUE domain
分子名称: Ubiquitin, Vacuolar protein sorting protein 36
著者Alam, S.L, Whitby, F.G, Hill, C.P, Sundquist, W.I.
登録日2006-07-25
公開日2006-10-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for ubiquitin recognition by the human ESCRT-II EAP45 GLUE domain.
Nat.Struct.Mol.Biol., 13, 2006
2KNE
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BU of 2kne by Molmil
Calmodulin wraps around its binding domain in the plasma membrane CA2+ pump anchored by a novel 18-1 motif
分子名称: ATPase, Ca++ transporting, plasma membrane 4, ...
著者Juranic, N, Atanasova, E, Filoteo, A.G, Macura, S, Prendergast, F.G, Penniston, J.T, Strehler, E.E.
登録日2009-08-21
公開日2009-11-24
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Calmodulin wraps around its binding domain in the plasma membrane Ca2+ pump anchored by a novel 18-1 motif.
J.Biol.Chem., 285, 2010
7RCL
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BU of 7rcl by Molmil
Crystal Structure of ADP-bound Galactokinase
分子名称: ADENOSINE-5'-DIPHOSPHATE, Galactokinase, MAGNESIUM ION, ...
著者Whitby, F.G, Hall, M.D.
登録日2021-07-07
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors.
J.Med.Chem., 64, 2021
7RCM
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BU of 7rcm by Molmil
Crystal Structure of ADP-bound Galactokinase
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Galactokinase, ...
著者Whitby, F.G.
登録日2021-07-07
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors.
J.Med.Chem., 64, 2021
1JPH
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Ile260Thr mutant of Human UroD, human uroporphyrinogen III decarboxylase
分子名称: UROPORPHYRINOGEN DECARBOXYLASE
著者Phillips, J.D, Parker, T.L, Schubert, H.L, Whitby, F.G, Hill, C.P, Kushner, J.P.
登録日2001-08-02
公開日2001-12-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Functional consequences of naturally occurring mutations in human uroporphyrinogen decarboxylase.
Blood, 98, 2001
1JPK
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Gly156Asp mutant of Human UroD, human uroporphyrinogen III decarboxylase
分子名称: UROPORPHYRINOGEN DECARBOXYLASE
著者Phillips, J.D, Parker, T.L, Schubert, H.L, Whitby, F.G, Hill, C.P, Kushner, J.P.
登録日2001-08-02
公開日2001-12-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Functional consequences of naturally occurring mutations in human uroporphyrinogen decarboxylase.
Blood, 98, 2001
1JPI
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Phe232Leu mutant of human UROD, human uroporphyrinogen III decarboxylase
分子名称: UROPORPHYRINOGEN DECARBOXYLASE
著者Phillips, J.D, Parker, T.L, Schubert, H.L, Whitby, F.G, Hill, C.P, Kushner, J.P.
登録日2001-08-02
公開日2001-12-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Functional consequences of naturally occurring mutations in human uroporphyrinogen decarboxylase.
Blood, 98, 2001

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