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1S1F
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BU of 1s1f by Molmil
Crystal Structure of Streptomyces Coelicolor A3(2) CYP158A2 from antibiotic biosynthetic pathways
分子名称: 4-PHENYL-1H-IMIDAZOLE, GLYCEROL, MALONIC ACID, ...
著者Zhao, B, Lamb, D.C, Lei, L, Sundaramoorthy, M, Podust, L.M, Waterman, M.R.
登録日2004-01-06
公開日2005-01-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2
J.Biol.Chem., 280, 2005
3WSA
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BU of 3wsa by Molmil
The Tuberculosis Drug SQ109 Inhibits Trypanosoma cruzi Cell Proliferation and acts Synergistically with Posaconazole
分子名称: N-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine, Squalene synthase
著者Shang, N, Li, Q, Huang, C.H, Oldfield, E, Guo, R.T.
登録日2014-03-05
公開日2015-04-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献SQ109, a new drug lead for Chagas disease.
Antimicrob.Agents Chemother., 59, 2015
3WCC
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BU of 3wcc by Molmil
The complex structure of TcSQS with ligand, E5700
分子名称: (3R)-3-({2-benzyl-6-[(3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol, Farnesyltransferase, putative
著者Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
登録日2013-05-27
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
1S6W
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BU of 1s6w by Molmil
Solution Structure of hybrid white striped bass hepcidin
分子名称: Hepcidin
著者Babon, J.J, Singh, S, Pennington, M.W, Norton, R.S, Westerman, M.E.
登録日2004-01-28
公開日2004-12-14
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Bass hepcidin synthesis, solution structure, antimicrobial activities and synergism, and in vivo hepatic response to bacterial infections.
J.Biol.Chem., 280, 2005
1S14
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Crystal structure of Escherichia coli Topoisomerase IV ParE 24kDa subunit
分子名称: NOVOBIOCIN, Topoisomerase IV subunit B
著者Wei, Y, Gross, C.H.
登録日2004-01-05
公開日2004-05-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of Escherichia coli topoisomerase IV ParE subunit (24 and 43 kilodaltons): a single residue dictates differences in novobiocin potency against topoisomerase IV and DNA gyrase.
Antimicrob.Agents Chemother., 48, 2004
4KTC
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BU of 4ktc by Molmil
NS3/NS4A protease with inhibitor
分子名称: (2R,6S,13aR,14aR,16aS)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydroisoquinoline-2(1H)-carboxylate, NS4A peptide, Serine protease NS3, ...
著者Zhang, H, Ballard, J, Vigers, G.P.A, Brandhuber, B.J.
登録日2013-05-20
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Danoprevir (ITMN-191/R7227), a Highly Selective and Potent Inhibitor of Hepatitis C Virus (HCV) NS3/4A Protease.
J.Med.Chem., 57, 2014
4K1R
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BU of 4k1r by Molmil
Crystal structure of Schizosaccharomyces pombe sst2 catalytic domain and Ubiquitin
分子名称: 1,2-ETHANEDIOL, AMSH-like protease sst2, CHLORIDE ION, ...
著者Shrestha, R.K, Das, C.
登録日2013-04-05
公開日2014-04-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.632 Å)
主引用文献Insights into the Mechanism of Deubiquitination by JAMM Deubiquitinases from Cocrystal Structures of the Enzyme with the Substrate and Product.
Biochemistry, 53, 2014
4K4D
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BU of 4k4d by Molmil
X-ray crystal structure of E. coli YbdB complexed with 2,4-dihydroxyphenacyl-CoA
分子名称: 2,4-dihydroxyphenacyl coenzyme A, ACETATE ION, MALONATE ION, ...
著者Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N.
登録日2013-04-12
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB.
Biochemistry, 53, 2014
4KBO
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Crystal structure of the human Mortalin (GRP75) ATPase domain in the apo form
分子名称: SODIUM ION, Stress-70 protein, mitochondrial
著者Amick, J, Page, R.C, Nix, J.C, Misra, S.
登録日2013-04-23
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the nucleotide-binding domain of mortalin, the mitochondrial Hsp70 chaperone.
Protein Sci., 23, 2014
4KIN
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BU of 4kin by Molmil
Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with 5-(2-CHLOROPHENYL)-N-(5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)-2-THIOPHENECARBOXAMIDE
分子名称: 5-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S, Tokarski, J.S.
登録日2013-05-02
公開日2013-06-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献The Identification of Novel P38-Alpha Isoform Selective Kinase Inhibitors Having an Unprecedented P38-Alpha Binding Mode
Bioorg.Med.Chem.Lett., 23, 2013
4K49
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BU of 4k49 by Molmil
X-ray crystal structure of E. coli YdiI complexed with 2,4-dihydroxyphenacyl CoA
分子名称: 2,4-dihydroxyphenacyl coenzyme A, Esterase YdiI
著者Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N.
登録日2013-04-12
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB.
Biochemistry, 53, 2014
4KJU
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BU of 4kju by Molmil
Crystal structure of XIAP-Bir2 with a bound benzodiazepinone inhibitor.
分子名称: E3 ubiquitin-protein ligase XIAP, N-{(3S)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}-N~2~-methyl-L-alaninamide, ZINC ION
著者Lukacs, C.M, Janson, C.A.
登録日2013-05-03
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
4KEH
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BU of 4keh by Molmil
Crosslinked Crystal Structure of Type II Fatty Synthase Dehydratase, FabA, and Acyl Carrier Protein, AcpP
分子名称: Acyl carrier protein, N-{3-[DIHYDROXY(NONYL)-LAMBDA~4~-SULFANYL]PROPYL}-N~3~-[(2R)-2-HYDROXY-3,3-DIMETHYL-4-(PHOSPHONOOXY)BUTANOYL]-BETA-ALANINAMIDE, N-{3-[dihydroxy(nonyl)-lambda~4~-sulfanyl]propyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
著者Nguyen, C, Haushalter, R, Finzel, K, Leong, J, Le, B.C, Burkart, M, Tsai, S.C.
登録日2013-04-25
公開日2013-12-25
最終更新日2014-01-29
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Trapping the dynamic acyl carrier protein in fatty acid biosynthesis.
Nature, 505, 2014
4BQH
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BU of 4bqh by Molmil
Crystal structure of the uridine diphosphate N-acetylglucosamine pyrophosphorylase from Trypanosoma brucei in complex with inhibitor
分子名称: (3S)-3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-4-bromanyl-5-methyl-3-oxidanyl-1H-indol-2-one, SULFATE ION, UDP-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE
著者Fang, W, Raimi, O.G, vanAalten, D.M.F.
登録日2013-05-30
公開日2013-07-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A Novel Allosteric Inhibitor of the Uridine Diphosphate N-Acetylglucosamine Pyrophosphorylase from Trypanosoma Brucei.
Acs Chem.Biol., 8, 2013
4KJV
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BU of 4kjv by Molmil
Crystal structure of XIAP-Bir2 with a bound spirocyclic benzoxazepinone inhibitor.
分子名称: 6-methoxy-5-({(3S)-3-[(N-methyl-L-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5H-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Lukacs, C.M, Janson, C.A.
登録日2013-05-03
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
4KO0
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BU of 4ko0 by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH an anilinylpyrimidine derivative (JLJ-135)
分子名称: 1,2-ETHANEDIOL, 4-[(4-methoxypyrimidin-2-yl)amino]-2-[(3-methylbut-2-en-1-yl)oxy]benzonitrile, HIV-1 reverse transcriptase, ...
著者Das, K, Bauman, J.D, Arnold, E.
登録日2013-05-10
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Extension into the entrance channel of HIV-1 reverse transcriptase-Crystallography and enhanced solubility.
Bioorg.Med.Chem.Lett., 23, 2013
4KIP
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BU of 4kip by Molmil
Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with 2-(2-CHLOROPHENYL)-N-(5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)-1,3-THIAZOLE-5-CARBOXAMIDE
分子名称: 2-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S, Tokarski, J.S.
登録日2013-05-02
公開日2013-06-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献The Identification of Novel P38-Alpha Isoform Selective Kinase Inhibitors Having an Unprecedented P38-Alpha Binding Mode
Bioorg.Med.Chem.Lett., 23, 2013
8ABP
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SUGAR-BINDING AND CRYSTALLOGRAPHIC STUDIES OF AN ARABINOSE-BINDING PROTEIN MUTANT (MET108LEU) WHICH EXHIBITS ENHANCED AFFINITY AND ALTERED SPECIFICITY
分子名称: L-ARABINOSE-BINDING PROTEIN, alpha-D-galactopyranose, beta-D-galactopyranose
著者Vermersch, P.S, Tesmer, J.J.G, Quiocho, F.A.
登録日1991-04-25
公開日1991-10-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Sugar-binding and crystallographic studies of an arabinose-binding protein mutant (Met108Leu) that exhibits enhanced affinity and altered specificity.
Biochemistry, 30, 1991
8QPW
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BU of 8qpw by Molmil
Arrival Complex: Lateral open BAM bound extended SurA plus OmpX
分子名称: Chaperone SurA, OmpX, Outer membrane protein assembly factor BamA, ...
著者Fenn, K.L, Ranson, N.A.
登録日2023-10-03
公開日2024-09-25
実験手法ELECTRON MICROSCOPY (5.3 Å)
主引用文献Outer membrane protein assembly mediated by BAM-SurA complexes.
Nat Commun, 15, 2024
173L
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BU of 173l by Molmil
PROTEIN FLEXIBILITY AND ADAPTABILITY SEEN IN 25 CRYSTAL FORMS OF T4 LYSOZYME
分子名称: BETA-MERCAPTOETHANOL, T4 LYSOZYME
著者Xiong, X.-P, Zhang, X.-J, Sun, D, Matthews, B.W.
登録日1995-03-24
公開日1995-07-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Protein flexibility and adaptability seen in 25 crystal forms of T4 lysozyme.
J.Mol.Biol., 250, 1995
177L
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Protein flexibility and adaptability seen in 25 crystal forms of T4 LYSOZYME
分子名称: T4 LYSOZYME
著者Matsumura, M, Weaver, L, Zhang, X.-J, Matthews, B.W.
登録日1995-03-24
公開日1995-07-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Protein flexibility and adaptability seen in 25 crystal forms of T4 lysozyme.
J.Mol.Biol., 250, 1995
1AI5
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BU of 1ai5 by Molmil
PENICILLIN ACYLASE COMPLEXED WITH M-NITROPHENYLACETIC ACID
分子名称: 2-(3-NITROPHENYL)ACETIC ACID, CALCIUM ION, PENICILLIN AMIDOHYDROLASE
著者Done, S.H.
登録日1997-05-01
公開日1997-11-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Ligand-induced conformational change in penicillin acylase.
J.Mol.Biol., 284, 1998
172L
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BU of 172l by Molmil
PROTEIN FLEXIBILITY AND ADAPTABILITY SEEN IN 25 CRYSTAL FORMS OF T4 LYSOZYME
分子名称: BETA-MERCAPTOETHANOL, T4 LYSOZYME
著者Weaver, L.H, Zhang, X.-J, Matthews, B.W.
登録日1995-03-24
公開日1995-07-10
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Protein flexibility and adaptability seen in 25 crystal forms of T4 lysozyme.
J.Mol.Biol., 250, 1995
1A22
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HUMAN GROWTH HORMONE BOUND TO SINGLE RECEPTOR
分子名称: GROWTH HORMONE, GROWTH HORMONE RECEPTOR
著者De Vos, A.M, Ultsch, M.
登録日1998-01-15
公開日1998-04-29
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and functional analysis of the 1:1 growth hormone:receptor complex reveals the molecular basis for receptor affinity.
J.Mol.Biol., 277, 1998
1ALG
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BU of 1alg by Molmil
SOLUTION STRUCTURE OF AN HGR INHIBITOR, NMR, 10 STRUCTURES
分子名称: P11
著者Schott, M.K, Nordhoff, A, Becker, K, Kalbitzer, H.R, Schirmer, R.H.
登録日1997-06-03
公開日1997-10-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Denaturation and reactivation of dimeric human glutathione reductase--an assay for folding inhibitors.
Eur.J.Biochem., 245, 1997

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