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4APP
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BU of 4app by Molmil
Crystal Structure of the Human p21-Activated Kinase 4 in Complex with (S)-N-(5-(3-benzyl-1-methylpiperazine-4-carbonyl)-6,6-dimethyl-1,4,5, 6-tetrahydropyrrolo(3,4-c)pyrazol-3-yl)-3-phenoxybenzamide
分子名称: GLYCEROL, N-[6,6-dimethyl-5-[(2S)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide, SERINE/THREONINE-PROTEIN KINASE PAK 4
著者Knighton, D.D, Deng, Y.L, Wang, C, Guo, C, McAlpine, I, Zhang, J, Kephart, S, Johnson, M.C, Li, H, Bouzida, D, Yang, A, Dong, L, Marakovits, J, Tikhe, J, Richardson, P, Guo, L.C, Kania, R, Edwards, M.P, Kraynov, E, Christensen, J, Piraino, J, Lee, J, Dagostino, E, Del-Carmen, C, Smeal, T, Murray, B.W.
登録日2012-04-04
公開日2012-06-06
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of Pyrroloaminopyrazoles as Novel Pak Inhibitors.
J.Med.Chem., 55, 2012
1RAQ
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THE STRUCTURE AND FUNCTION OF OMEGA LOOP A REPLACEMENTS IN CYTOCHROME C
分子名称: HEME C, REP A2 ISO-1-CYTOCHROME C, SULFATE ION
著者Murphy, M.E.P, Brayer, G.D.
登録日1992-08-25
公開日1993-10-31
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structure and function of omega loop A replacements in cytochrome c.
Protein Sci., 2, 1993
1H31
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BU of 1h31 by Molmil
Oxidised SoxAX complex from Rhodovulum sulfidophilum
分子名称: CYTOCHROME C, DIHEME CYTOCHROME C, HEME C
著者Bamford, V.A, Bruno, S, Rasmussen, T, Appia-Ayme, C, Cheesman, M.R, Berks, B.C, Hemmings, A.M.
登録日2002-08-21
公開日2002-11-07
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Basis for the Oxidation of Thiosulfate by a Sulfur Cycle Enzyme
Embo J., 21, 2002
2OBQ
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Discovery of the HCV NS3/4A Protease Inhibitor SCH503034. Key Steps in Structure-Based Optimization
分子名称: Hepatitis C virus, ZINC ION
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2024-05-22
実験手法X-RAY DIFFRACTION (2.5 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
2OC0
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BU of 2oc0 by Molmil
Structure of NS3 complexed with a ketoamide inhibitor SCh491762
分子名称: BETA-MERCAPTOETHANOL, Hepatitis C Virus, Hepatitis C virus, ...
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2006-12-20
公開日2007-07-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 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
1Z7F
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Crystal structure of 16 base pair RNA duplex containing a C-A mismatch
分子名称: 5'-R(*GP*CP*AP*GP*AP*CP*UP*UP*AP*AP*AP*UP*CP*UP*GP*C)-3', STRONTIUM ION
著者Gherghe, C.M, Krahn, J.M, Weeks, K.M.
登録日2005-03-24
公開日2005-10-18
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures, reactivity and inferred acylation transition States for 2'-amine substituted RNA.
J.Am.Chem.Soc., 127, 2005
2FRC
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CYTOCHROME C (REDUCED) FROM EQUUS CABALLUS, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: CYTOCHROME C, HEME C
著者Qi, P.X, Di Stefano, D.L, Wand, A.J.
登録日1996-07-02
公開日1997-07-29
最終更新日2024-11-06
実験手法SOLUTION NMR
主引用文献Solution structure of horse heart ferricytochrome c and detection of redox-related structural changes by high-resolution 1H NMR.
Biochemistry, 35, 1996
2PZ8
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BU of 2pz8 by Molmil
NAD+ Synthetase from Bacillus anthracis with AMP-CPP and Mg2+
分子名称: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, GLYCEROL, MAGNESIUM ION, ...
著者McDonald, H.M, Pruett, P.S, Deivanayagam, C, Protasevich, I.I, Carson, W.M, DeLucas, L.J, Brouillette, W.J, Brouillette, C.G.
登録日2007-05-17
公開日2007-07-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural adaptation of an interacting non-native C-terminal helical extension revealed in the crystal structure of NAD(+) synthetase from Bacillus anthracis.
Acta Crystallogr.,Sect.D, 63, 2007
1T2K
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BU of 1t2k by Molmil
Structure Of The DNA Binding Domains Of IRF3, ATF-2 and Jun Bound To DNA
分子名称: 31-MER, Cyclic-AMP-dependent transcription factor ATF-2, Interferon regulatory factor 3, ...
著者Panne, D, Maniatis, T, Harrison, S.C.
登録日2004-04-21
公開日2004-11-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of ATF-2/c-Jun and IRF-3 bound to the interferon-beta enhancer.
Embo J., 23, 2004
3ZTM
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Cytochrome c prime from alcaligenes xylosoxidans: as isolated L16G variant at 0.9 A resolution: unrestraint refinement
分子名称: CARBON MONOXIDE, CYTOCHROME C', HEME C
著者Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S.
登録日2011-07-11
公開日2011-10-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
3ZWI
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BU of 3zwi by Molmil
RECOMBINANT NATIVE CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: CARBON MONOOXIDE BOUND AT 1.25 A:UNRESTRAINT REFINEMENT
分子名称: ASCORBIC ACID, CARBON MONOXIDE, CYTOCHROME C', ...
著者Antonyuk, S, Rustage, N, Eady, R.R, Hasnain, S.S.
登録日2011-07-31
公開日2012-08-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas-Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
3ZRY
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BU of 3zry by Molmil
Rotor architecture in the F(1)-c(10)-ring complex of the yeast F-ATP synthase
分子名称: ATP SYNTHASE CATALYTIC SECTOR F1 EPSILON SUBUNIT, ATP SYNTHASE SUBUNIT 9, MITOCHONDRIAL, ...
著者Giraud, M.-F, Dautant, A.
登録日2011-06-21
公開日2012-01-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (6.5 Å)
主引用文献Rotor Architecture in the Yeast and Bovine F(1)-C-Ring Complexes of F-ATP Synthase.
J.Struct.Biol., 177, 2012
2H7T
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BU of 2h7t by Molmil
Solution Structure of the C-terminal Domain of Insulin-like Growth Factor Binding Protein 2 (IGFBP-2)
分子名称: Insulin-like growth factor-binding protein 2
著者Kuang, Z.
登録日2006-06-03
公開日2007-04-24
最終更新日2024-10-16
実験手法SOLUTION NMR
主引用文献Structure, dynamics and heparin binding of the C-terminal domain of insulin-like growth factor-binding protein-2 (IGFBP-2)
J.Mol.Biol., 364, 2006
2OBO
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BU of 2obo by Molmil
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
1Z79
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Crystal structure of an RNA duplex containing site specific 2'-amine substitution at a C-A mismatch (at pH 5)
分子名称: CALCIUM ION, RNA 5'-R(*GP*CP*AP*GP*AP*(A5M)P*UP*UP*AP*AP*AP*UP*CP*UP*GP*C)-3'
著者Gherghe, C.M, Krahn, J.M, Weeks, K.M.
登録日2005-03-24
公開日2005-10-18
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structures, reactivity and inferred acylation transition States for 2'-amine substituted RNA.
J.Am.Chem.Soc., 127, 2005
1QDB
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CYTOCHROME C NITRITE REDUCTASE
分子名称: CALCIUM ION, CYTOCHROME C NITRITE REDUCTASE, HEME C, ...
著者Einsle, O, Messerschmidt, A, Stach, P, Huber, R, Kroneck, P.M.H.
登録日1999-05-19
公開日1999-08-18
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of cytochrome c nitrite reductase.
Nature, 400, 1999
3QE5
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BU of 3qe5 by Molmil
Complete structure of Streptococcus mutans Antigen I/II carboxy-terminus
分子名称: CALCIUM ION, MAGNESIUM ION, Major cell-surface adhesin PAc, ...
著者Larson, M.R, Rajashankar, K.R, Crowley, P.J, Kelly, C, Mitchell, T.J, Brady, L.J, Deivanayagam, C.
登録日2011-01-19
公開日2011-04-20
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of the C-terminal Region of Streptococcus mutans Antigen I/II and Characterization of Salivary Agglutinin Adherence Domains.
J.Biol.Chem., 286, 2011
1YRM
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Crystal Structure of an RNA duplex containing site specific 2'-amine substitutions at a C-A mismatch
分子名称: DNA/RNA (5'-R(*GP*CP*AP*GP*A)-D(P*(A5M))-R(P*UP*UP*AP*AP*AP*UP*CP*UP*GP*C)-3'), STRONTIUM ION
著者Gherghe, C.M, Krahn, J.M, Weeks, K.M.
登録日2005-02-04
公開日2005-10-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures, reactivity and inferred acylation transition States for 2'-amine substituted RNA.
J.Am.Chem.Soc., 127, 2005
1YZD
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Crystal structure of an RNA duplex containing a site specific 2'-amine substitution at a C-G Watson-Crick base pair
分子名称: CALCIUM ION, RNA 5'-R(*GP*CP*AP*GP*AP*(A5M)P*UP*UP*AP*AP*GP*UP*CP*UP*GP*C)-3'
著者Gherghe, C.M, Krahn, J.M, Weeks, K.M.
登録日2005-02-28
公開日2005-10-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structures, reactivity and inferred acylation transition States for 2'-amine substituted RNA.
J.Am.Chem.Soc., 127, 2005
1SQQ
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Crystal Structure Analysis of Bovine Bc1 with Methoxy Acrylate Stilbene (MOAS)
分子名称: Cytochrome b, Cytochrome c1, heme protein, ...
著者Esser, L, Quinn, B, Li, Y.F, Zhang, M, Elberry, M, Yu, L, Yu, C.A, Xia, D.
登録日2004-03-19
公開日2005-10-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystallographic studies of quinol oxidation site inhibitors: a modified classification of inhibitors for the cytochrome bc(1) complex.
J.Mol.Biol., 341, 2004
1SQP
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Crystal Structure Analysis of Bovine Bc1 with Myxothiazol
分子名称: (2Z,6E)-7-{2'-[(2E,4E)-1,6-DIMETHYLHEPTA-2,4-DIENYL]-2,4'-BI-1,3-THIAZOL-4-YL}-3,5-DIMETHOXY-4-METHYLHEPTA-2,6-DIENAMID E, (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ...
著者Esser, L, Quinn, B, Li, Y.F, Zhang, M, Elberry, M, Yu, L, Yu, C.A, Xia, D.
登録日2004-03-19
公開日2005-11-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystallographic studies of quinol oxidation site inhibitors: a modified classification of inhibitors for the cytochrome bc(1) complex.
J.Mol.Biol., 341, 2004
2GB8
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Solution structure of the complex between yeast iso-1-cytochrome c and yeast cytochrome c peroxidase
分子名称: Cytochrome c iso-1, Cytochrome c peroxidase, HEME C, ...
著者Volkov, A.N, Worrall, J.A.R, Ubbink, M.
登録日2006-03-10
公開日2006-11-21
最終更新日2024-10-09
実験手法SOLUTION NMR
主引用文献Solution structure and dynamics of the complex between cytochrome c and cytochrome c peroxidase determined by paramagnetic NMR.
Proc.Natl.Acad.Sci.Usa, 103, 2006
1SQV
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Crystal Structure Analysis of Bovine Bc1 with UHDBT
分子名称: 6-HYDROXY-5-UNDECYL-1,3-BENZOTHIAZOLE-4,7-DIONE, Cytochrome b, Cytochrome c1, ...
著者Esser, L, Quinn, B, Li, Y.F, Zhang, M, Elberry, M, Yu, L, Yu, C.A, Xia, D.
登録日2004-03-19
公開日2005-09-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystallographic studies of quinol oxidation site inhibitors: a modified classification of inhibitors for the cytochrome bc(1) complex.
J.Mol.Biol., 341, 2004
1SQX
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Crystal Structure Analysis of Bovine Bc1 with Stigmatellin A
分子名称: Cytochrome b, Cytochrome c1, heme protein, ...
著者Esser, L, Quinn, B, Li, Y.F, Zhang, M, Elberry, M, Yu, L, Yu, C.A, Xia, D.
登録日2004-03-21
公開日2005-09-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystallographic studies of quinol oxidation site inhibitors: a modified classification of inhibitors for the cytochrome bc(1) complex.
J.Mol.Biol., 341, 2004
3OG8
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Crystal structure of human RIG-I CTD bound to a 14-bp blunt-ended dsRNA
分子名称: Antiviral innate immune response receptor RIG-I, RNA (5'-R(*GP*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*C)-3'), ZINC ION
著者Li, P.
登録日2010-08-16
公開日2010-11-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of RIG-I C-terminal domain bound to blunt-ended double-strand RNA without 5' triphosphate.
Nucleic Acids Res., 39, 2011

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