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2PAN
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BU of 2pan by Molmil
Crystal structure of E. coli glyoxylate carboligase
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, FLAVIN-ADENINE DINUCLEOTIDE, Glyoxylate carboligase, ...
著者Kaplun, A, Chipman, D.M, Barak, Z, Vyazmensky, M, Shaanan, B.
登録日2007-03-27
公開日2008-01-01
最終更新日2021-08-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Glyoxylate carboligase lacks the canonical active site glutamate of thiamine-dependent enzymes.
Nat.Chem.Biol., 4, 2008
4MB5
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BU of 4mb5 by Molmil
Crystal structure of E153Q mutant of cold-adapted chitinase from Moritella complex with Nag5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Chitinase 60, DI(HYDROXYETHYL)ETHER, ...
著者Malecki, P.H, Vorgias, C.E, Rypniewski, W.
登録日2013-08-19
公開日2014-03-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.639 Å)
主引用文献Crystal structures of substrate-bound chitinase from the psychrophilic bacterium Moritella marina and its structure in solution
Acta Crystallogr.,Sect.D, 70, 2014
3G9N
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BU of 3g9n by Molmil
JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-phenylindolin-2-one
分子名称: (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10
著者Jacobs, M.D.
登録日2009-02-13
公開日2009-02-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
4J9W
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BU of 4j9w by Molmil
Crystal structure of the complex of a hydroxyproline epimerase (TARGET EFI-506499, PSEUDOMONAS FLUORESCENS PF-5) with the inhibitor pyrrole-2-carboxylate
分子名称: GLYCEROL, PYRROLE-2-CARBOXYLATE, Proline racemase family protein, ...
著者Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-02-17
公開日2013-03-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of the complex of a hydroxyproline epimerase (TARGET EFI-506499, PSEUDOMONAS FLUORESCENS PF-5) with the inhibitor pyrrole-2-carboxylate
To be Published
2HCF
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BU of 2hcf by Molmil
Crystal structure of hydrolase haloacid dehalogenase-like family (np_662590.1) from Chlorobium tepidum TLS at 1.80 A resolution
分子名称: CHLORIDE ION, Hydrolase, haloacid dehalogenase-like family, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2006-06-16
公開日2006-08-15
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of hydrolase haloacid dehalogenase-like family (np_662590.1) from Chlorobium tepidum TLS at 1.80 A resolution
To be published
2H9V
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BU of 2h9v by Molmil
Structural basis for induced-fit binding of Rho-kinase to the inhibitor Y27632
分子名称: (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE, Rho-associated protein kinase 2
著者Yamaguchi, H, Miwa, Y, Kasa, M, Kitano, K, Amano, M, Kaibuchi, K, Hakoshima, T.
登録日2006-06-12
公開日2006-12-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis for induced-fit binding of Rho-kinase to the inhibitor Y-27632
J.Biochem.(Tokyo), 140, 2006
4JTL
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BU of 4jtl by Molmil
Crystal structure of F139G mutant of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis
分子名称: 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION
著者Allison, T.M, Cochrane, F.C, Jameson, G.B, Parker, E.J.
登録日2013-03-23
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Examining the Role of Intersubunit Contacts in Catalysis by 3-Deoxy-d-manno-octulosonate 8-Phosphate Synthase.
Biochemistry, 52, 2013
3MY7
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BU of 3my7 by Molmil
The Crystal Structure of the ACDH domain of an Alcohol Dehydrogenase from Vibrio parahaemolyticus to 2.25A
分子名称: Alcohol dehydrogenase/acetaldehyde dehydrogenase, CHLORIDE ION
著者Stein, A.J, Weger, A, Volkart, L, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2010-05-10
公開日2010-06-02
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Crystal Structure of the ACDH domain of an Alcohol Dehydrogenase from Vibrio parahaemolyticus to 2.25A
To be Published
3GDV
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BU of 3gdv by Molmil
Crystal structure of DegS H198P/D320A mutant modified by DFP and in complex with YQF peptide
分子名称: DegS protease, YQF peptide
著者Sohn, J, Grant, R.A, Sauer, R.T.
登録日2009-02-24
公開日2009-03-31
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.489 Å)
主引用文献OMP peptides activate the DegS stress-sensor protease by a relief of inhibition mechanism.
Structure, 17, 2009
4MGP
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BU of 4mgp by Molmil
Structure of racemic Ala-(8,13,18) Magainin 2
分子名称: Magainin 2 Derivative
著者Hayouka, Z, Mortenson, D.E, Kreitler, D.F, Weisblum, B, Gellman, S.H, Forest, K.T.
登録日2013-08-28
公開日2013-10-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Evidence for Phenylalanine Zipper-Mediated Dimerization in the X-ray Crystal Structure of a Magainin 2 Analogue.
J.Am.Chem.Soc., 135, 2013
4JBD
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BU of 4jbd by Molmil
Crystal structure of Pput_1285, a putative hydroxyproline epimerase from Pseudomonas putida f1 (target EFI-506500), open form, space group I2, bound citrate
分子名称: CITRIC ACID, Proline racemase
著者Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-02-19
公開日2013-03-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of pput_1285, a putative hydroxyproline epimerase from pseudomonas putida f1 (target efi-506500), open form, space group i2, bound citrate
To be Published
2H7G
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BU of 2h7g by Molmil
Structure of variola topoisomerase non-covalently bound to DNA
分子名称: 5'-D(*TP*AP*AP*TP*AP*AP*GP*GP*GP*CP*GP*AP*CP*A)-3', 5'-D(*TP*TP*GP*TP*CP*GP*CP*CP*CP*TP*TP*A)-3', DNA topoisomerase 1
著者Perry, K, Hwang, Y, Bushman, F.D, Van Duyne, G.D.
登録日2006-06-02
公開日2006-08-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for specificity in the poxvirus topoisomerase.
Mol.Cell, 23, 2006
4JBN
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BU of 4jbn by Molmil
Crystal structure of O-Acetyl Serine Sulfhydrylase from Entamoeba histolytica in complex with Serine acetyl transferase derived tetrapeptide, SPSI
分子名称: Cysteine synthase, SAT derived tetrapeptide, SULFATE ION
著者Raj, I, Gourinath, S.
登録日2013-02-20
公開日2013-12-04
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Molecular basis of ligand recognition by OASS from E. histolytica: insights from structural and molecular dynamics simulation studies
Biochim.Biophys.Acta, 1830, 2013
3MZY
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BU of 3mzy by Molmil
The Crystal Structure of the RNA polymerase sigma-H factor from Fusobacterium nucleatum to 2.5A
分子名称: RNA polymerase sigma-H factor
著者Stein, A.J, Chhor, G, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2010-05-13
公開日2010-06-02
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Crystal Structure of the RNA polymerase sigma-H factor from Fusobacterium nucleatum to 2.5A
To be Published
3N01
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BU of 3n01 by Molmil
Crystal structure of an abridged form of the mature ectodomain of the Human Receptor-Type Protein Tyrosine Phosphatase ICA512/IA-2 at pH 8.5
分子名称: CALCIUM ION, Receptor-type tyrosine-protein phosphatase-like N
著者Primo, M.E, Jakoncic, J, Poskus, E, Ermacora, M.R.
登録日2010-05-13
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Receptor-type Protein-Tyrosine Phosphatase IA-2-ICA512
To be Published
4WMC
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BU of 4wmc by Molmil
OXA-48 covalent complex with Avibactam inhibitor
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CARBON DIOXIDE
著者Mangani, S, Benvenuti, M, Docquier, J.D.
登録日2014-10-08
公開日2014-12-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular Basis of Selective Inhibition and Slow Reversibility of Avibactam against Class D Carbapenemases: A Structure-Guided Study of OXA-24 and OXA-48.
Acs Chem.Biol., 10, 2015
2HEI
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BU of 2hei by Molmil
Crystal structure of human RAB5B in complex with GDP
分子名称: (4S,5S)-1,2-DITHIANE-4,5-DIOL, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Rab-5B
著者Hong, B, Shen, L, Wang, J, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2006-06-21
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of human RAB5B in complex with GDP
To be Published
3N0L
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BU of 3n0l by Molmil
Crystal structure of serine hydroxymethyltransferase from Campylobacter jejuni
分子名称: SULFATE ION, Serine hydroxymethyltransferase
著者Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Hasseman, J, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-05-14
公開日2010-05-26
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of serine hydroxymethyltransferase from Campylobacter jejuni
TO BE PUBLISHED
3GEA
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BU of 3gea by Molmil
Donor strand complemented FaeG monomer of F4 variant ad
分子名称: GLYCEROL, K88 fimbrial protein AD, SULFATE ION
著者Van Molle, I, Moonens, K, Garcia-Pino, A, Buts, L, Bouckaert, J, De Greve, H.
登録日2009-02-25
公開日2009-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Structural and thermodynamic characterization of pre- and postpolymerization states in the F4 fimbrial subunit FaeG
J.Mol.Biol., 394, 2009
2HF8
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BU of 2hf8 by Molmil
Crystal structure of HypB from Methanocaldococcus jannaschii in the triphosphate form, in complex with zinc
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Probable hydrogenase nickel incorporation protein hypB, ...
著者Gasper, R, Scrima, A, Wittinghofer, A.
登録日2006-06-23
公開日2006-07-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into HypB, a GTP-binding protein that regulates metal binding.
J.Biol.Chem., 281, 2006
2OUO
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BU of 2ouo by Molmil
Crystal Structure of the Bromo domain 2 in human Bromodomain Containing Protein 4 (BRD4)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Filippakopoulos, P, Keates, T, Savitsky, P, Burgess, N, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2007-02-12
公開日2007-02-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
2P4F
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BU of 2p4f by Molmil
Crystal Structure of Atp11 functional domain from Candida Glabrata
分子名称: HEXAETHYLENE GLYCOL, Similar to sp|P32453 Saccharomyces cerevisiae YNL315c ATP11
著者Ludlam, A.V, Brunzelle, J.S, Gatti, D.L, Ackerman, S.H.
登録日2007-03-12
公開日2008-03-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal Structure of Atp11 functional domain from Candida Glabrata
To be Published
4J6P
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BU of 4j6p by Molmil
Crystal structure of calcium2+-free wild-type CD23 lectin domain (crystal form F)
分子名称: Low affinity immunoglobulin epsilon Fc receptor
著者Dhaliwal, B, Yuan, D, Sutton, B.J.
登録日2013-02-11
公開日2013-08-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Conformational plasticity at the IgE-binding site of the B-cell receptor CD23.
Mol.Immunol., 56, 2013
2H1A
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BU of 2h1a by Molmil
ResA C74A Variant
分子名称: 1,2-ETHANEDIOL, Thiol-disulfide oxidoreductase resA
著者Lewin, A, Crow, A, Oubrie, A, Le Brun, N.E.
登録日2006-05-16
公開日2006-09-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular Basis for Specificity of the Extracytoplasmic Thioredoxin ResA.
J.Biol.Chem., 281, 2006
4J71
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BU of 4j71 by Molmil
Crystal Structure of GSK3b in complex with inhibitor 1R
分子名称: (2R)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, CHLORIDE ION, Glycogen synthase kinase-3 beta, ...
著者Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-02-12
公開日2013-03-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor
To be Published

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