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1AVG
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BU of 1avg by Molmil
THROMBIN INHIBITOR FROM TRIATOMA PALLIDIPENNIS
分子名称: THROMBIN, TRIABIN
著者Fuentes-Prior, P, Huber, R, Bode, W.
登録日1997-09-16
公開日1998-12-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of the thrombin complex with triabin, a lipocalin-like exosite-binding inhibitor derived from a triatomine bug.
Proc.Natl.Acad.Sci.USA, 94, 1997
3N29
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BU of 3n29 by Molmil
Crystal structure of carboxynorspermidine decarboxylase complexed with Norspermidine from Campylobacter jejuni
分子名称: Carboxynorspermidine decarboxylase, GLYCEROL, N-(3-aminopropyl)propane-1,3-diamine, ...
著者Deng, X, Lee, J, Michael, A.J, Tomchick, D.R, Goldsmith, E.J, Phillips, M.A.
登録日2010-05-17
公開日2010-06-09
最終更新日2012-02-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Evolution of substrate specificity within a diverse family of beta/alpha-barrel-fold basic amino acid decarboxylases: X-ray structure determination of enzymes with specificity for L-arginine and carboxynorspermidine.
J.Biol.Chem., 285, 2010
4KCG
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BU of 4kcg by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the DI-39 inhibitor
分子名称: Deoxycytidine kinase, N-{2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2013-04-24
公開日2014-03-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Co-targeting of convergent nucleotide biosynthetic pathways for leukemia eradication.
J.Exp.Med., 211, 2014
4H8S
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BU of 4h8s by Molmil
Crystal structure of human APPL2BARPH domain
分子名称: DCC-interacting protein 13-beta
著者Martin, J.L, King, G.J.
登録日2012-09-23
公開日2012-10-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Membrane Curvature Protein Exhibits Interdomain Flexibility and Binds a Small GTPase.
J.Biol.Chem., 287, 2012
4K0X
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BU of 4k0x by Molmil
X-ray Crystal Structure of OXA-23 from Acinetobacter baumannii
分子名称: BICARBONATE ION, Beta-lactamase
著者Klinger, N.V, Ramey, M.E, Leonard, D.A, Powers, R.A.
登録日2013-04-04
公開日2013-08-07
最終更新日2013-10-23
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structures of the Class D Carbapenemases OXA-23 and OXA-146: Mechanistic Basis of Activity against Carbapenems, Extended-Spectrum Cephalosporins, and Aztreonam.
Antimicrob.Agents Chemother., 57, 2013
4K0W
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BU of 4k0w by Molmil
X-ray crystal structure of OXA-23 A220 duplication clinical variant
分子名称: 1,2-ETHANEDIOL, BICARBONATE ION, Beta-lactamase, ...
著者Kaitany, K.J, Klinger, N.V, Leonard, D.A, Powers, R.A.
登録日2013-04-04
公開日2013-08-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structures of the Class D Carbapenemases OXA-23 and OXA-146: Mechanistic Basis of Activity against Carbapenems, Extended-Spectrum Cephalosporins, and Aztreonam.
Antimicrob.Agents Chemother., 57, 2013
4IXD
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BU of 4ixd by Molmil
X-ray structure of lfa-1 i-domain in complex with ibe-667 at 1.8a resolution
分子名称: 4-(3-{4-[(3-aminopropyl)carbamoyl]phenyl}-1H-indazol-1-yl)-N-methylbenzamide, Integrin alpha-L, MAGNESIUM ION
著者Kallen, J.
登録日2013-01-25
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification and x-ray structure based investigation of an ICAM-1 binding enhancing small molecule activator of LFA-1
To be Published, 2013
4IVN
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BU of 4ivn by Molmil
The Vibrio vulnificus NanR protein complexed with ManNAc-6P
分子名称: 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-mannopyranose, Transcriptional regulator
著者Hwang, J, Kim, M.H.
登録日2013-01-23
公開日2013-07-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into the regulation of sialic acid catabolism by the Vibrio vulnificus transcriptional repressor NanR
Proc.Natl.Acad.Sci.USA, 110, 2013
4MB9
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BU of 4mb9 by Molmil
Structure of Streptococcus pneumonia ParE in complex with AZ13102335
分子名称: 1-ethyl-3-{6-(pyrimidin-5-yl)-5-[(3R)-tetrahydrofuran-3-ylmethoxy][1,3]thiazolo[5,4-b]pyridin-2-yl}urea, DNA topoisomerase IV, B subunit, ...
著者Ogg, D, Tucker, J.
登録日2013-08-19
公開日2013-10-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Thiazolopyridine Ureas as Novel Antitubercular Agents Acting through Inhibition of DNA Gyrase B.
J.Med.Chem., 56, 2013
4MBC
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BU of 4mbc by Molmil
Structure of Streptococcus pneumonia ParE in complex with AZ13053807
分子名称: 1-{5-[2-(morpholin-4-yl)ethoxy]-6-(pyridin-3-yl)[1,3]thiazolo[5,4-b]pyridin-2-yl}-3-prop-2-en-1-ylurea, DNA topoisomerase IV, B subunit
著者Ogg, D, Tucker, J.
登録日2013-08-19
公開日2013-10-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Thiazolopyridine Ureas as Novel Antitubercular Agents Acting through Inhibition of DNA Gyrase B.
J.Med.Chem., 56, 2013
4LZS
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BU of 4lzs by Molmil
Crystal Structure of BRD4(1) bound to inhibitor XD46
分子名称: 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
著者Wohlwend, D, Huegle, M, Einsle, O, Gerhardt, S.
登録日2013-08-01
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
4MKH
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BU of 4mkh by Molmil
Crystal structure of a stable adenylate kinase variant AKv18
分子名称: 1,2-ETHANEDIOL, Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ...
著者Moon, S, Bae, E.
登録日2013-09-05
公開日2014-03-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献An integrated approach for thermal stabilization of a mesophilic adenylate kinase.
Proteins, 82, 2014
4L5B
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BU of 4l5b by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the DI-43 inhibitor
分子名称: 1-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2013-06-10
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Development of new deoxycytidine kinase inhibitors and noninvasive in vivo evaluation using positron emission tomography.
J.Med.Chem., 56, 2013
4NQI
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BU of 4nqi by Molmil
Structure of the N-terminal I-BAR domain (1-259) of D.Discoideum IBARa
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, SH3 domain-containing protein
著者Witte, G, Faix, J, Runge-Wollmann, P.
登録日2013-11-25
公開日2014-02-05
最終更新日2014-04-02
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献The inverse BAR domain protein IBARa drives membrane remodeling to control osmoregulation, phagocytosis and cytokinesis.
J.Cell.Sci., 127, 2014
3P2O
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BU of 3p2o by Molmil
Crystal Structure of FolD Bifunctional Protein from Campylobacter jejuni
分子名称: Bifunctional protein folD, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Kim, Y, Zhang, R, Makowska-Grzyska, M, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-10-03
公開日2010-10-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.227 Å)
主引用文献Crystal Structure of FolD Bifunctional Protein from
To be Published
4LYS
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BU of 4lys by Molmil
Crystal Structure of BRD4(1) bound to Colchiceine
分子名称: Bromodomain-containing protein 4, N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide, SODIUM ION
著者Wohlwend, D, Gerhardt, S, Einsle, O.
登録日2013-07-31
公開日2014-01-15
最終更新日2014-01-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
4O9W
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BU of 4o9w by Molmil
Crystal structure of polo-like kinase(PLK1)PBD in complex with phospho peptide
分子名称: Serine/threonine-protein kinase PLK1, phospho peptide VAL-LEU-SER-TPO-LEU-NH2
著者Bong, S.M, Lee, B.I, Kim, K.T.
登録日2014-01-03
公開日2014-08-13
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (1.694 Å)
主引用文献The condensin component NCAPG2 regulates microtubule-kinetochore attachment through recruitment of Polo-like kinase 1 to kinetochores.
Nat Commun, 5, 2014
4MTX
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BU of 4mtx by Molmil
Structure of the ERS1 dimerization and histidine phosphotransfer domain from Arabidopsis thaliana
分子名称: Ethylene response sensor 1
著者Mayerhofer, H, Mueller-Dieckmann, J.
登録日2013-09-20
公開日2014-10-01
最終更新日2015-03-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural Model of the Cytosolic Domain of the Plant Ethylene Receptor 1 (ETR1).
J.Biol.Chem., 290, 2015
4MOT
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BU of 4mot by Molmil
Structure of Streptococcus pneumonia pare in complex with AZ13072886
分子名称: 1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea, Topoisomerase IV subunit B
著者Ogg, D, Boriack-Sjodin, P.A.
登録日2013-09-12
公開日2013-11-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Thiazolopyridone ureas as DNA gyrase B inhibitors: Optimization of antitubercular activity and efficacy.
Bioorg.Med.Chem.Lett., 24, 2014
7ICD
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BU of 7icd by Molmil
REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE
分子名称: ISOCITRATE DEHYDROGENASE
著者Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M.
登録日1990-05-30
公開日1991-10-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Regulation of an enzyme by phosphorylation at the active site.
Science, 249, 1990
7HBI
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BU of 7hbi by Molmil
SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72V, CO-LIGANDED FORM
分子名称: CARBON MONOXIDE, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
著者Royer Junior, W.E.
登録日1998-06-25
公開日1998-11-11
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity.
J.Mol.Biol., 284, 1998
4MT8
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BU of 4mt8 by Molmil
Structure of the ERS1 dimerization and histidine phosphotransfer domain from Arabidopsis thaliana
分子名称: Ethylene response sensor 1
著者Mayerhofer, H, Mueller-Dieckmann, J.
登録日2013-09-19
公開日2014-10-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Model of the Cytosolic Domain of the Plant Ethylene Receptor 1 (ETR1).
J.Biol.Chem., 290, 2015
2N6A
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BU of 2n6a by Molmil
NMR structure of a human calmodulin/connexin-36 peptide hybrid
分子名称: CALCIUM ION, human calmodulin/connexin-36 peptide hybrid
著者Donaldson, L.
登録日2015-08-14
公開日2015-08-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献An investigation of calcium mediate signaling by the Connexin 36 gap junction protein
To be Published
3GOJ
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BU of 3goj by Molmil
Barium bound to the Holliday sequence d(CCGGCGCCGG)4
分子名称: 5'-D(*CP*CP*GP*GP*CP*GP*CP*CP*GP*G)-3', BARIUM ION
著者Naseer, A, Cardin, C.J.
登録日2009-03-19
公開日2009-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Barium bound to the Holliday junction structure
To be Published
2GWC
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BU of 2gwc by Molmil
Crystal structure of plant glutamate cysteine ligase in complex with a transition state analogue
分子名称: (2S)-2-amino-4-(S-butylsulfonimidoyl)butanoic acid, Glutamate cysteine ligase, MAGNESIUM ION
著者Hothorn, M, Wachter, A, Gromes, R, Stuwe, T, Rausch, T, Scheffzek, K.
登録日2006-05-04
公開日2006-06-20
最終更新日2018-10-03
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structural basis for the redox control of plant glutamate cysteine ligase.
J.Biol.Chem., 281, 2006

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