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6MES
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BU of 6mes by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1907)
分子名称: 1-[(1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-1,3-dihydro-2H-imidazol-2-one, GLYCEROL, METHIONINE, ...
著者Barros-Alvarez, X, Hol, W.G.J.
登録日2018-09-07
公開日2019-09-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-guided discovery of selective methionyl-tRNA synthetase inhibitors with potent activity against Trypanosoma brucei
Rsc Med Chem, 2020
1POT
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BU of 1pot by Molmil
SPERMIDINE/PUTRESCINE-BINDING PROTEIN COMPLEXED WITH SPERMIDINE (MONOMER FORM)
分子名称: SPERMIDINE, SPERMIDINE/PUTRESCINE-BINDING PROTEIN
著者Sugiyama, S, Maenaka, K, Matsushima, M, Morikawa, K.
登録日1996-02-02
公開日1996-12-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The 1.8-A X-ray structure of the Escherichia coli PotD protein complexed with spermidine and the mechanism of polyamine binding.
Protein Sci., 5, 1996
2Q9E
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BU of 2q9e by Molmil
Structure of spin-labeled T4 lysozyme mutant S44R1
分子名称: 2-HYDROXYETHYL DISULFIDE, Lysozyme, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
著者Guo, Z, Cascio, D, Hideg, K, Hubbell, W.L.
登録日2007-06-12
公開日2007-06-26
最終更新日2024-10-30
実験手法EPR (2.1 Å), X-RAY DIFFRACTION
主引用文献Structural determinants of nitroxide motion in spin-labeled proteins: Solvent-exposed sites in helix B of T4 lysozyme.
Protein Sci., 17, 2008
4HB7
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BU of 4hb7 by Molmil
The Structure of Dihydropteroate Synthase from Staphylococcus aureus subsp. aureus Mu50.
分子名称: 1,2-ETHANEDIOL, Dihydropteroate synthase
著者Cuff, M.E, Holowicki, J, Jedrzejczak, R, Terwilliger, T.C, Rubin, E.J, Guinn, K, Baker, D, Ioerger, T.R, Sacchettini, J.C, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
登録日2012-09-27
公開日2012-10-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Structure of Dihydropteroate Synthase from Staphylococcus aureus subsp. aureus Mu50.
TO BE PUBLISHED
3CI9
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BU of 3ci9 by Molmil
Crystal Structure of the human HSBP1
分子名称: Heat shock factor-binding protein 1
著者Liu, X, Xu, L, Liu, Y, Zhu, G, Zhang, X.C, Li, X, Rao, Z.
登録日2008-03-11
公開日2009-01-20
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the hexamer of human heat shock factor binding protein 1
Proteins, 75, 2009
4AZ5
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BU of 4az5 by Molmil
Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal exo-beta-D-N-acetylglucosaminidase, StrH
分子名称: (2S,3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1H-pyrano[3,2-d][1,3]thiazole-6,7-diol, 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ...
著者Pluvinage, B, Stubbs, K.A, Vocadlo, D.J, Boraston, A.B.
登録日2012-06-22
公開日2013-07-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Inhibition of the Family 20 Glycoside Hydrolase Catalytic Modules in the Streptococcus Pneumoniae Exo-Beta-D-N-Acetylglucosaminidase, Strh.
Org.Biomol.Chem., 11, 2013
4BLV
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BU of 4blv by Molmil
Crystal structure of Escherichia coli 23S rRNA (A2030-N6)- methyltransferase RlmJ in complex with S-adenosylmethionine (AdoMet)
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Punekar, A.S, Liljeruhm, J, Shepherd, T.R, Forster, A.C, Selmer, M.
登録日2013-05-04
公開日2013-08-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Functional Insights Into the Molecular Mechanism of Rrna M6A Methyltransferase Rlmj.
Nucleic Acids Res., 41, 2013
1XPE
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BU of 1xpe by Molmil
HIV-1 subtype B genomic RNA Dimerization Initiation Site
分子名称: 5'-R(*CP*UP*UP*GP*CP*UP*GP*AP*AP*GP*CP*GP*CP*GP*CP*AP*CP*GP*GP*CP*AP*AP*G)-3', CHLORIDE ION, MAGNESIUM ION, ...
著者Ennifar, E, Dumas, P.
登録日2004-10-08
公開日2005-10-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Polymorphism of Bulged-out Residues in HIV-1 RNA DIS Kissing Complex and Structure Comparison with Solution Studies
J.Mol.Biol., 356, 2006
4QNN
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BU of 4qnn by Molmil
Crystal Structure of phospholipase A 1 from hornet(Vespa basalis) venom
分子名称: CHLORIDE ION, MERCURY (II) ION, Phospholipase A 1 from hornet(Vespa basalis) venom
著者Chuang, C.Y, Ko, T.P, Wang, A.H.J, Hou, M.H.
登録日2014-06-18
公開日2015-06-24
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of phospholipase A 1 from hornet(Vespa basalis) venom
To be Published
4QML
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BU of 4qml by Molmil
MST3 in complex with AMP-PNP
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E.
登録日2014-06-16
公開日2015-07-01
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.882 Å)
主引用文献Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
4BC7
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BU of 4bc7 by Molmil
MAMMALIAN ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE: Arg419His mutant
分子名称: 1-DODECANOL, ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, ...
著者Nenci, S, Piano, V, Rosati, S, Aliverti, A, Pandini, V, Fraaije, M.W, Heck, A.J.R, Edmondson, D.E, Mattevi, A.
登録日2012-10-01
公開日2012-11-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Precursor of Ether Phospholipids is Synthesized by a Flavoenzyme Through Covalent Catalysis.
Proc.Natl.Acad.Sci.USA, 109, 2012
1ML4
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BU of 1ml4 by Molmil
The PALA-liganded Aspartate transcarbamoylase catalytic subunit from Pyrococcus abyssi
分子名称: Aspartate Transcarbamoylase, N-(PHOSPHONACETYL)-L-ASPARTIC ACID
著者Van Boxstael, S, Cunin, R, Maes, D.
登録日2002-08-30
公開日2003-02-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Aspartate Transcarbamylase from the Hyperthermophilic Archaeon Pyrococcus abyssi: Thermostability and 1.8A Resolution Crystal Structure of the Catalytic Subunit Complexed With the Bisubstrate Analogue N-Phosphonacetyl-L-aspartate.
J.Mol.Biol., 326, 2003
3EUL
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BU of 3eul by Molmil
Structure of the signal receiver domain of the putative response regulator NarL from Mycobacterium tuberculosis
分子名称: CHLORIDE ION, POSSIBLE NITRATE/NITRITE RESPONSE TRANSCRIPTIONAL REGULATORY PROTEIN NARL (DNA-binding response regulator, LuxR family)
著者Schneider, G, Schnell, R, Agren, D.
登録日2008-10-10
公開日2008-11-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献1.9 A structure of the signal receiver domain of the putative response regulator NarL from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.F, 64, 2008
4M0A
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BU of 4m0a by Molmil
Human DNA Polymerase Mu post-catalytic complex
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA-directed DNA/RNA polymerase mu, ...
著者Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C.
登録日2013-08-01
公開日2014-02-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Sustained active site rigidity during synthesis by human DNA polymerase mu.
Nat.Struct.Mol.Biol., 21, 2014
4QNK
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BU of 4qnk by Molmil
The structure of wt A. thaliana IGPD2 in complex with Mn2+ and phosphate
分子名称: 1,2-ETHANEDIOL, Imidazoleglycerol-phosphate dehydratase 2, chloroplastic, ...
著者Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R, Hawkes, T.R, Baker, P.J, Rice, D.W.
登録日2014-06-18
公開日2015-06-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structures Reveal that the Reaction Mechanism of Imidazoleglycerol-Phosphate Dehydratase Is Controlled by Switching Mn(II) Coordination.
Structure, 23, 2015
4QIZ
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BU of 4qiz by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor
分子名称: 1,2-ETHANEDIOL, 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 13, ...
著者Manakova, E, Smirnov, A, Grazulis, S.
登録日2014-06-03
公開日2015-04-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
Chemmedchem, 10, 2015
4IAB
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BU of 4iab by Molmil
Crystal structure of a putative monosaccharide binding protein (BACUNI_03039) from Bacteroides uniformis ATCC 8492 at 1.70 A resolution
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, UNKNOWN LIGAND, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2012-12-06
公開日2013-02-27
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Crystal structure of a hypothetical protein (BACUNI_03039) from Bacteroides uniformis ATCC 8492 at 1.66 A resolution
To be published
4I1B
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BU of 4i1b by Molmil
FUNCTIONAL IMPLICATIONS OF INTERLEUKIN-1BETA BASED ON THE THREE-DIMENSIONAL STRUCTURE
分子名称: INTERLEUKIN-1 BETA
著者Veerapandian, B, Poulos, T.L, Gilliland, G.L, Raag, R, Svensson, L.A, Masui, Y, Hirai, Y.
登録日1990-03-27
公開日1990-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Functional implications of interleukin-1 beta based on the three-dimensional structure.
Proteins, 12, 1992
6A69
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BU of 6a69 by Molmil
Cryo-EM structure of a P-type ATPase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuroplastin, Plasma membrane calcium-transporting ATPase 1
著者Gong, D.S, Chi, X.M, Ren, K, Huang, G.X.Y, Zhou, G.W, Yan, N, Lei, J.L, Zhou, Q.
登録日2018-06-27
公開日2018-09-19
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (4.11 Å)
主引用文献Structure of the human plasma membrane Ca2+-ATPase 1 in complex with its obligatory subunit neuroplastin.
Nat Commun, 9, 2018
1IS0
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BU of 1is0 by Molmil
Crystal Structure of a Complex of the Src SH2 Domain with Conformationally Constrained Peptide Inhibitor
分子名称: AY0 GLU GLU ILE peptide, Tyrosine-protein kinase transforming protein SRC
著者Davidson, J.P, Lubman, O, Rose, T, Waksman, G, Martin, S.F.
登録日2001-11-02
公開日2002-02-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Calorimetric and structural studies of 1,2,3-trisubstituted cyclopropanes as conformationally constrained peptide inhibitors of Src SH2 domain binding.
J.Am.Chem.Soc., 124, 2002
4BUZ
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BU of 4buz by Molmil
SIR2 COMPLEX STRUCTURE MIXTURE OF EX-527 INHIBITOR AND REACTION PRODUCTS OR OF REACTION SUBSTRATES P53 PEPTIDE AND NAD
分子名称: (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, 1,2-ETHANEDIOL, 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE, ...
著者Weyand, M, Lakshminarasimhan, M, Gertz, M, Steegborn, C.
登録日2013-06-24
公開日2013-07-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
Proc.Natl.Acad.Sci.USA, 110, 2013
4BV2
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BU of 4bv2 by Molmil
CRYSTAL STRUCTURE OF SIR2 IN COMPLEX WITH THE INHIBITOR EX-527, 2'-O-ACETYL-ADP-RIBOSE AND DEACETYLATED P53-PEPTIDE
分子名称: (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE, CELLULAR TUMOR ANTIGEN P53, ...
著者Gertz, M, Weyand, M, Steegborn, C.
登録日2013-06-24
公開日2013-07-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
Proc.Natl.Acad.Sci.USA, 110, 2013
4IDT
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BU of 4idt by Molmil
Crystal Structure of NIK with 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine (T28)
分子名称: 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine, Mitogen-activated protein kinase kinase kinase 14
著者Liu, J, Sudom, A, Wang, Z.
登録日2012-12-13
公開日2013-04-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Inhibiting NF-KB-inducing kinase (NIK): Discovery, structure-based design, synthesis, structure activity relationship, and co-crystal structures
Bioorg.Med.Chem.Lett., 23, 2013
3VEX
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BU of 3vex by Molmil
Crystal structure of the O-carbamoyltransferase TobZ H14N variant in complex with carbamoyl adenylate intermediate
分子名称: 1,2-ETHANEDIOL, 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, FE (II) ION, ...
著者Parthier, C, Stubbs, M.T, Goerlich, S, Jaenecke, F.
登録日2012-01-09
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The O-Carbamoyltransferase TobZ Catalyzes an Ancient Enzymatic Reaction.
Angew.Chem.Int.Ed.Engl., 51, 2012
6MK5
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BU of 6mk5 by Molmil
Solution NMR structure of spider toxin analogue [F5A,M6F,T26L,K28R]GpTx-1
分子名称: Toxin GTx1-15
著者Schroeder, C.I.
登録日2018-09-25
公開日2018-12-19
最終更新日2024-10-23
実験手法SOLUTION NMR
主引用文献Peptide-Membrane Interactions Affect the Inhibitory Potency and Selectivity of Spider Toxins ProTx-II and GpTx-1.
ACS Chem. Biol., 14, 2019

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