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1Z5N
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Crystal structure of MTA/AdoHcy nucleosidase Glu12Gln mutant complexed with 5-methylthioribose and adenine
分子名称: 5-S-methyl-5-thio-alpha-D-ribofuranose, ADENINE, MTA/SAH nucleosidase
著者Lee, J.E, Smith, G.D, Horvatin, C, Huang, D.J.T, Cornell, K.A, Riscoe, M.K, Howell, P.L.
登録日2005-03-18
公開日2005-10-04
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural snapshots of MTA/AdoHcy nucleosidase along the reaction coordinate provide insights into enzyme and nucleoside flexibility during catalysis
J.Mol.Biol., 352, 2005
3S1D
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Glu381Ser mutant of maize cytokinin oxidase/dehydrogenase complexed with N6-isopentenyladenosine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokinin dehydrogenase 1, DI(HYDROXYETHYL)ETHER, ...
著者Kopecny, D, Briozzo, P, Morera, S.
登録日2011-05-15
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Kinetic and structural investigation of the cytokinin oxidase/dehydrogenase active site.
Febs J., 283, 2016
4D0Z
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GalNAc-T2 crystal soaked with UDP-5SGalNAc, mEA2 and manganese (Higher resolution dataset)
分子名称: (2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose, ...
著者Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R.
登録日2014-04-30
公開日2014-05-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N- Acetylgalactosaminyltransferase 2.
Angew.Chem.Int.Ed.Engl., 53, 2014
1LEE
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BU of 1lee by Molmil
CRYSTAL STRUCTURE OF PLASMEPSIN FROM P. FALCIPARUM IN COMPLEX WITH INHIBITOR RS367
分子名称: 4-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-5-PHENYL-PENTYL}-BENZAMIDE, Plasmepsin 2
著者Asojo, O.A, Afonina, E, Gulnik, S.V, Yu, B, Erickson, J.W, Randad, R, Mehadjed, D, Silva, A.M.
登録日2002-04-09
公開日2002-10-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of Ser205 mutant plasmepsin II from Plasmodium falciparum at 1.8 A in complex with the inhibitors rs367 and rs370.
Acta Crystallogr.,Sect.D, 58, 2002
3SBK
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BU of 3sbk by Molmil
Russell's viper venom serine proteinase, RVV-V (PPACK-bound form)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Vipera russelli proteinase RVV-V gamma
著者Nakayama, D, Ben Ammar, Y, Takeda, S.
登録日2011-06-05
公開日2011-09-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural basis of coagulation factor V recognition for cleavage by RVV-V
Febs Lett., 585, 2011
4CZA
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BU of 4cza by Molmil
Structure of the sodium proton antiporter PaNhaP from Pyrococcus abyssii with bound thallium ion.
分子名称: ACETATE ION, NA+/H+ ANTIPORTER, PUTATIVE, ...
著者Woehlert, D, Kuhlbrandt, W, Yildiz, O.
登録日2014-04-16
公開日2014-12-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure and substrate ion binding in the sodium/proton antiporter PaNhaP.
Elife, 3, 2014
1QP5
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BASE-PAIRING SHIFT IN A DODECAMER CONTAINING A (CA)N TRACT
分子名称: DNA (5'-D(*AP*CP*CP*GP*GP*CP*GP*CP*CP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*GP*GP*CP*GP*CP*CP*GP*GP*T)-3'), MAGNESIUM ION
著者Timsit, Y, Vilbois, E, Moras, D.
登録日1999-06-01
公開日1999-06-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Base-pairing shift in the major groove of (CA)n tracts by B-DNA crystal structures.
Nature, 354, 1991
4HYP
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BU of 4hyp by Molmil
Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
分子名称: DNA gyrase subunit B, MAGNESIUM ION, N-[7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]cyclopropanecarboxamide
著者Bensen, D.C, Creighton, C.J, Tari, L.W.
登録日2012-11-13
公開日2013-02-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
1ZJ5
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BU of 1zj5 by Molmil
Crystal Structure Analysis of the dienelactone hydrolase mutant (E36D, C123S, A134S, S208G, A229V, K234R) bound with the PMS moiety of the protease inhibitor, Phenylmethylsulfonyl fluoride (PMSF)- 1.7 A
分子名称: Carboxymethylenebutenolidase, GLYCEROL, SULFATE ION
著者Kim, H.-K, Liu, J.-W, Carr, P.D, Ollis, D.L.
登録日2005-04-28
公開日2005-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Following directed evolution with crystallography: structural changes observed in changing the substrate specificity of dienelactone hydrolase.
Acta Crystallogr.,Sect.D, 61, 2005
4HZ5
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Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity
分子名称: 6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde, DNA topoisomerase IV, B subunit
著者Bensen, D.C, Creighton, C.J, Tari, L.W.
登録日2012-11-14
公開日2013-02-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
1BK4
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BU of 1bk4 by Molmil
CRYSTAL STRUCTURE OF RABBIT LIVER FRUCTOSE-1,6-BISPHOSPHATASE AT 2.3 ANGSTROM RESOLUTION
分子名称: MAGNESIUM ION, PROTEIN (FRUCTOSE-1,6-BISPHOSPHATASE), SULFATE ION
著者Ghosh, D, Weeks, C.M, Erman, M, Roszak, A.W, Kaiser, R, Jornvall, H.
登録日1998-07-14
公開日1998-07-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of rabbit liver fructose 1,6-bisphosphatase at 2.3 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
1KZD
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BU of 1kzd by Molmil
Complex of MBP-C and GlcNAc-terminated core
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MANNOSE-BINDING PROTEIN C
著者Ng, K.K, Kolatkar, A.R, Park-Snyder, S, Feinberg, H, Clark, D.A, Drickamer, K, Weis, W.I.
登録日2002-02-06
公開日2002-07-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Orientation of bound ligands in mannose-binding proteins. Implications for multivalent ligand recognition.
J.Biol.Chem., 277, 2002
1C0I
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BU of 1c0i by Molmil
CRYSTAL STRUCTURE OF D-AMINO ACID OXIDASE IN COMPLEX WITH TWO ANTHRANYLATE MOLECULES
分子名称: 2-AMINOBENZOIC ACID, D-AMINO ACID OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE
著者Pollegioni, L, Diederichs, K, Molla, G, Umhau, S, Welte, W, Ghisla, S, Pilone, M.S.
登録日1999-07-16
公開日2002-02-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Yeast d-amino Acid oxidase: structural basis of its catalytic properties
J.Mol.Biol., 324, 2002
4EWP
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BU of 4ewp by Molmil
Crystal structure of FabH from Micrococcus luteus
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 3
著者Pereira, J.H, Goh, E.-B, Keasling, J.D, Beller, H.R, Adams, P.D.
登録日2012-04-27
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Structure of FabH and factors affecting the distribution of branched fatty acids in Micrococcus luteus.
Acta Crystallogr.,Sect.D, 68, 2012
3TGR
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BU of 3tgr by Molmil
Crystal structure of unliganded HIV-1 clade C strain C1086 gp120 core
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 clade C1086 gp120
著者Kwon, Y.D, Kwong, P.D.
登録日2011-08-17
公開日2012-04-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
3A0D
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BU of 3a0d by Molmil
Crystal Structure of Polygonatum cyrtonema lectin (PCL) complexed with monomannoside
分子名称: Mannose/sialic acid-binding lectin, SULFATE ION, methyl alpha-D-mannopyranoside
著者Ding, J, Wang, D.C.
登録日2009-03-16
公開日2010-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of a novel anti-HIV mannose-binding lectin from Polygonatum cyrtonema Hua with unique ligand-binding property and super-structure
J.Struct.Biol., 171, 2010
1LK2
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BU of 1lk2 by Molmil
1.35A crystal structure of H-2Kb complexed with the GNYSFYAL peptide
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Luz, J.G, Rudolph, M.G, Wilson, I.A, Eisen, H.
登録日2002-04-23
公開日2003-11-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A peptide that antagonizes TCR-mediated reactions with both syngeneic and allogeneic agonists: functional and structural aspects.
J.Immunol., 172, 2004
1G8N
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MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGAATF5UCGCG):5-FORMYLURIDINE/ ADENOSINE BASE-PAIRS IN B-DNA
分子名称: 5'-D(*CP*GP*CP*GP*AP*AP*TP*(UFR)P*CP*GP*CP*G)-3', MAGNESIUM ION
著者Tsunoda, M, Karino, N, Ueno, Y, Matsuda, A, Takenaka, A.
登録日2000-11-20
公開日2001-02-05
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystallization and preliminary X-ray analysis of a DNA dodecamer containing 2'-deoxy-5-formyluridine; what is the role of magnesium cation in crystallization of Dickerson-type DNA dodecamers?
Acta Crystallogr.,Sect.D, 57, 2001
3TGT
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BU of 3tgt by Molmil
Crystal structure of unliganded HIV-1 clade A/E strain 93TH057 gp120 core
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 clade A/E 93TH057 gp120
著者Kwon, Y.D, Kwong, P.D.
登録日2011-08-17
公開日2012-04-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
1ZIC
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BU of 1zic by Molmil
Crystal Structure Analysis of the dienelactone hydrolase (C123S, R206A) mutant- 1.7 A
分子名称: Carboxymethylenebutenolidase, GLYCEROL, SULFATE ION
著者Kim, H.-K, Liu, J.-W, Carr, P.D, Ollis, D.L.
登録日2005-04-27
公開日2005-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Following directed evolution with crystallography: structural changes observed in changing the substrate specificity of dienelactone hydrolase.
Acta Crystallogr.,Sect.D, 61, 2005
5ZVJ
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Crystal structure of HtrA1 from Mycobacterium tuberculosis
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Serine protease
著者Khundrakpam, H.S, Yadav, S, Kumar, D, Biswal, B.K.
登録日2018-05-10
公開日2018-09-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The crystal structure of an essential high-temperature requirement protein HtrA1 (Rv1223) from Mycobacterium tuberculosis reveals its unique features.
Acta Crystallogr D Struct Biol, 74, 2018
382D
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HYDRATION AND RECOGNITION OF METHYLATED CPG STEPS IN DNA.
分子名称: DNA (5'-D(*CP*CP*GP*CP*CP*GP*GP*CP*GP*G)-3'), MAGNESIUM ION
著者Mayer-Jung, C, Moras, D, Timsit, Y.
登録日1998-03-02
公開日1999-10-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Hydration and recognition of methylated CpG steps in DNA.
EMBO J., 17, 1998
3W78
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BU of 3w78 by Molmil
Crystal Structure of azoreductase AzrC in complex with NAD(P)-inhibitor Cibacron Blue
分子名称: CIBACRON BLUE, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase
著者Yu, J, Ogata, D, Ooi, T, Yao, M.
登録日2013-02-27
公開日2014-02-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structures of AzrA and of AzrC complexed with substrate or inhibitor: insight into substrate specificity and catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
4J3F
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Crystal Structure of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold.
分子名称: 1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole, ACETATE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
著者Mehboob, S, Boci, T, Brubaker, L, Santarsiero, B.D, Johnson, M.E.
登録日2013-02-05
公開日2014-07-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI).
Bioorg.Med.Chem.Lett., 25, 2015
1P7G
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Crystal structure of superoxide dismutase from Pyrobaculum aerophilum
分子名称: ACETATE ION, BETA-MERCAPTOETHANOL, Superoxide dismutase
著者Lee, S, Sawaya, M.R, Eisenberg, D.
登録日2003-05-01
公開日2003-12-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of superoxide dismutase from Pyrobaculum aerophilum presents a challenging case in molecular replacement with multiple molecules, pseudo-symmetry and twinning.
Acta Crystallogr.,Sect.D, 59, 2003

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