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1ZSN
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Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives
分子名称: 5-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase
著者Freundlich, J.S, Anderson, J.W, Sarantakis, D, Shieh, H.M, Yu, M, Lucumi, E, Kuo, M, Schiehser, G.A, Jacobus, D.P, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C.
登録日2005-05-24
公開日2006-05-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.992 Å)
主引用文献Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. Part 1: 4'-Substituted triclosan derivatives.
Bioorg.Med.Chem.Lett., 15, 2005
1ZX1
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Human quinone oxidoreductase 2 (NQO2) in complex with the cytostatic prodrug CB1954
分子名称: 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, NRH dehydrogenase [quinone] 2, ...
著者Jansson, A, Wu, X, Kavanagh, K, Kerr, D, Knox, R, Walton, R, Gunther, U, Ludwig, C, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2005-06-06
公開日2005-06-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Human quinone oxidoreductase 2 (NQO2) in complex with the cytostatic prodrug CB1954
To be Published
2A06
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Bovine cytochrome bc1 complex with stigmatellin bound
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, AZIDE ION, CARDIOLIPIN, ...
著者Huang, L.S, Cobessi, D, Tung, E.Y, Berry, E.A.
登録日2005-06-16
公開日2005-06-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Binding of the Respiratory Chain Inhibitor Antimycin to the Mitochondrial bc(1) Complex: A New Crystal Structure Reveals an Altered Intramolecular Hydrogen-bonding Pattern.
J.Mol.Biol., 351, 2005
1ZR0
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Crystal Structure of Kunitz Domain 1 of Tissue Factor Pathway Inhibitor-2 with Bovine Trypsin
分子名称: CALCIUM ION, Cationic trypsin, Tissue factor pathway inhibitor 2
著者Schmidt, A.E, Chand, H.S, Cascio, D, Kisiel, W, Bajaj, S.P.
登録日2005-05-18
公開日2005-06-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Crystal structure of Kunitz domain 1 (KD1) of tissue factor pathway inhibitor-2 in complex with trypsin. Implications for KD1 specificity of inhibition
J.Biol.Chem., 280, 2005
2A3J
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BU of 2a3j by Molmil
Structure of URNdesign, a complete computational redesign of human U1A protein
分子名称: U1 small nuclear ribonucleoprotein A
著者Varani, G, Dobson, N, Dantas, G, Baker, D.
登録日2005-06-24
公開日2006-06-06
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献High-Resolution Structural Validation of the Computational Redesign of Human U1A Protein
Structure, 14, 2006
2A55
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BU of 2a55 by Molmil
Solution structure of the two N-terminal CCP modules of C4b-binding protein (C4BP) alpha-chain.
分子名称: C4b-binding protein
著者Jenkins, H.T, Mark, L, Ball, G, Lindahl, G, Uhrin, D, Blom, A.M, Barlow, P.N.
登録日2005-06-30
公開日2005-12-13
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Human C4b-binding Protein, Structural Basis for Interaction with Streptococcal M Protein, a Major Bacterial Virulence Factor
J.Biol.Chem., 281, 2006
2A77
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Anti-Cocaine Antibody 7.5.21, Crystal Form II
分子名称: GLYCEROL, Immunoglobulin Heavy Chain, Immunoglobulin Light Chain, ...
著者Pozharski, E, Hewagama, A, Shanafelt, A, Ringe, D, Petsko, G.A.
登録日2005-07-04
公開日2005-07-12
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Flexibility of Packing: Four Crystal Forms of an Anti-Cocaine Antibody 7.5.21
To be Published
2A90
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Crystal Structure of the tandem WWE domain of Drosophila Deltex
分子名称: Deltex protein
著者Zweifel, M.E, Leahy, D.J, Barrick, D.
登録日2005-07-10
公開日2005-11-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure and Notch Receptor Binding of the Tandem WWE Domain of Deltex.
Structure, 13, 2005
2AAF
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Structure of H278A arginine deiminase with L-arginine forming a S-alkylthiouronium reaction intermediate
分子名称: Arginine deiminase
著者Galkin, A, Lu, X, Dunaway-Mariano, D, Herzberg, O.
登録日2005-07-13
公開日2005-08-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structures Representing the Michaelis Complex and the Thiouronium Reaction Intermediate of Pseudomonas aeruginosa Arginine Deiminase.
J.Biol.Chem., 280, 2005
2ADU
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Human Methionine Aminopeptidase Complex with 4-Aryl-1,2,3-triazole Inhibitor
分子名称: 4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLE, COBALT (II) ION, Methionine aminopeptidase 2
著者Kallander, L.S, Lu, Q, Chen, W, Tomaszek, T, Yang, G, Tew, D, Meek, T.D, Hofmann, G.A, Schulz-Pritchard, C.K, Smith, W.W, Janson, C.A, Ryan, M.D, Zhang, G.F, Johanson, K.O, Kirkpatrick, R.B, Ho, T.F, Fisher, P.W, Mattern, M.R, Johnson, R.K, Hansbury, M.J, Winkler, J.D, Ward, K.W, Veber, D.F, Thompson, S.K.
登録日2005-07-20
公開日2005-09-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献4-Aryl-1,2,3-triazole: A Novel Template for a Reversible Methionine Aminopeptidase 2 Inhibitor, Optimized To Inhibit Angiogenesis in Vivo
J.Med.Chem., 48, 2005
2AFT
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BU of 2aft by Molmil
Formylglycine generating enzyme C336S mutant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Sulfatase modifying factor 1
著者Roeser, D, Rudolph, M.G.
登録日2005-07-26
公開日2005-12-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献A general binding mechanism for all human sulfatases by the formylglycine-generating enzyme
Proc.Natl.Acad.Sci.Usa, 103, 2006
1ZW1
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BU of 1zw1 by Molmil
Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives
分子名称: 2-(4-AMINO-2-CHLOROPHENOXY)-5-CHLOROPHENOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase
著者Freundlich, J.S, Anderson, J.W, Sarantakis, D, Shieh, H.M, Yu, M, Lucumi, E, Kuo, M, Schiehser, G.A, Jacobus, D.P, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C.
登録日2005-06-03
公開日2006-06-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. Part 1: 4'-Substituted triclosan derivatives.
Bioorg.Med.Chem.Lett., 15, 2005
1ZZP
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BU of 1zzp by Molmil
Solution structure of the F-actin binding domain of Bcr-Abl/c-Abl
分子名称: Proto-oncogene tyrosine-protein kinase ABL1
著者Hantschel, O, Wiesner, S, Guttler, T, Mackereth, C.D, Rix, L.L.R, Mikes, Z, Dehne, J, Gorlich, D, Sattler, M, Superti-Furga, G.
登録日2005-06-14
公開日2005-08-30
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural Basis for the Cytoskeletal Association of Bcr-Abl/c-Abl.
Mol.Cell, 19, 2005
1ZYS
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BU of 1zys by Molmil
Co-crystal structure of Checkpoint Kinase Chk1 with a pyrrolo-pyridine inhibitor
分子名称: N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE, SULFATE ION, Serine/threonine-protein kinase Chk1, ...
著者Stavenger, R.A, Zhao, B, Zhou, B.-B.S, Brown, M.J, Lee, D, Holt, D.A.
登録日2005-06-10
公開日2006-06-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Pyrrolo[2,3-b]pyridines Inhibit the Checkpoint Kinase Chk1
To be Published
2A3Z
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Ternary complex of the WH2 domain of WASP with Actin-DNAse I
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
著者Chereau, D, Kerff, F, Dominguez, R.
登録日2005-06-27
公開日2005-11-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.078 Å)
主引用文献Actin-bound structures of Wiskott-Aldrich syndrome protein (WASP)-homology domain 2 and the implications for filament assembly
Proc.Natl.Acad.Sci.Usa, 102, 2005
2ABO
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BU of 2abo by Molmil
NMR structure of gamma herpesvirus 68 a viral Bcl-2 homolog
分子名称: bcl-2 homolog
著者Loh, J, Huang, Q, Petros, A.M, Nettesheim, D, van Dyk, L.F, Labrada, L, Speck, S.H, Levine, B, Olejniczak, E.T, Virgin, H.W.
登録日2005-07-15
公開日2006-05-16
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A surface groove essential for viral Bcl-2 function during chronic infection in vivo.
Plos Pathog., 1, 2005
2ACH
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CRYSTAL STRUCTURE OF CLEAVED HUMAN ALPHA1-ANTICHYMOTRYPSIN AT 2.7 ANGSTROMS RESOLUTION AND ITS COMPARISON WITH OTHER SERPINS
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA 1-ANTICHYMOTRYPSIN, PHOSPHATE ION, ...
著者Baumann, U, Huber, R, Bode, W, Grosse, D, Lesjak, M, Laurell, C.B.
登録日1993-04-26
公開日1993-07-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of cleaved human alpha 1-antichymotrypsin at 2.7 A resolution and its comparison with other serpins.
J.Mol.Biol., 218, 1991
2OLA
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Crystal structure of O-succinylbenzoic acid synthetase from Staphylococcus aureus, cubic crystal form
分子名称: O-succinylbenzoic acid synthetase
著者Patskovsky, Y, Sauder, J.M, Ozyurt, S, Wasserman, S.R, Smith, D, Dickey, M, Maletic, M, Reyes, C, Gheyi, T, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-01-18
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family.
Proc.Natl.Acad.Sci.USA, 111, 2014
1ZXB
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BU of 1zxb by Molmil
Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives
分子名称: 3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)-N-METHYLBENZAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase
著者Freundlich, J.S, Anderson, J.W, Sarantakis, D, Shieh, H.M, Yu, M, Lucumi, E, Kuo, M, Schiehser, G.A, Jacobus, D.P, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C.
登録日2005-06-07
公開日2006-06-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. Part 1: 4'-Substituted triclosan derivatives.
Bioorg.Med.Chem.Lett., 15, 2005
1ZYF
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Structure of a Supercoiling Responsive DNA Site
分子名称: 5'-D(*CP*AP*AP*CP*CP*AP*TP*GP*GP*TP*TP*G)-3'
著者Bae, S.H, Yun, S.H, Sun, D, Lim, H.M, Choi, B.S.
登録日2005-06-10
公開日2006-05-23
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structural and dynamic basis of a supercoiling-responsive DNA element
Nucleic Acids Res., 34, 2006
274D
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CRYSTAL STRUCTURE OF A COVALENT DNA-DRUG ADDUCT: ANTHRAMYCIN BOUND TO C-C-A-A-C-G-T-T-G-G, AND A MOLECULAR EXPLANATION OF SPECIFICITY
分子名称: ANTHRAMYCIN, DNA (5'-D(*CP*CP*AP*AP*CP*GP*TP*TP*(DRUG)GP*G)-3')
著者Kopka, M.L, Goodsell, D.S, Baikalov, I, Grzeskowiak, K, Cascio, D, Dickerson, R.E.
登録日1994-04-28
公開日1994-10-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of a covalent DNA-drug adduct: anthramycin bound to C-C-A-A-C-G-T-T-G-G and a molecular explanation of specificity.
Biochemistry, 33, 1994
2A9H
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BU of 2a9h by Molmil
NMR structural studies of a potassium channel / charybdotoxin complex
分子名称: Voltage-gated potassium channel, charybdotoxin
著者Yu, L, Sun, C, Song, D, Shen, J, Xu, N, Gunasekera, A, Hajduk, P.J, Olejniczak, E.T.
登録日2005-07-11
公開日2006-01-10
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献Nuclear magnetic resonance structural studies of a potassium channel-charybdotoxin complex.
Biochemistry, 44, 2005
2A1U
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Crystal structure of the human ETF E165betaA mutant
分子名称: ADENOSINE MONOPHOSPHATE, Electron transfer flavoprotein alpha-subunit, mitochondrial precursor, ...
著者Toogood, H.S, Van Thiel, A, Scrutton, N.S, Leys, D.
登録日2005-06-21
公開日2005-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Stabilization of Non-productive Conformations Underpins Rapid Electron Transfer to Electron-transferring Flavoprotein
J.Biol.Chem., 280, 2005
2AAR
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Structure of trigger factor binding domain in biologically homologous complex with eubacterial ribosome.
分子名称: 23S ribosomal RNA, 50S ribosomal protein L23, 50S ribosomal protein L29, ...
著者Baram, D, Pyetan, E, Sittner, A, Auerbach-Nevo, T, Bashan, A, Yonath, A.
登録日2005-07-14
公開日2005-08-23
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure of trigger factor binding domain in biologically homologous complex with eubacterial ribosome reveals its chaperone action
Proc.Natl.Acad.Sci.Usa, 102, 2005
2A40
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Ternary complex of the WH2 domain of WAVE with Actin-DNAse I
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
著者Chereau, D, Kerff, F, Dominguez, R.
登録日2005-06-27
公開日2005-11-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Actin-bound structures of Wiskott-Aldrich syndrome protein (WASP)-homology domain 2 and the implications for filament assembly
Proc.Natl.Acad.Sci.Usa, 102, 2005

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