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4QJZ
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Pneumocystis carinii dihydrofolate reductase ternary complex with NADPH and the inhibitor 24, (N~6~-METHYL-N~6~-(NAPHTHALEN-1-YL)PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE)
分子名称: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N~6~-methyl-N~6~-(naphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4,6-triamine
著者Cody, V.
登録日2014-06-05
公開日2015-06-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structure-activity correlations for three pyrido[2,3-d]pyrimidine antifolates binding to human and Pneumocystis carinii dihydrofolate reductase.
Acta Crystallogr F Struct Biol Commun, 71, 2015
8IC1
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endo-alpha-D-arabinanase EndoMA1 D51N mutant from Microbacterium arabinogalactanolyticum in complex with arabinooligosaccharides
分子名称: (3~{a}~{S},5~{R},6~{R},6~{a}~{S})-5-(hydroxymethyl)-2,2-dimethyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Li, J, Nakashima, C, Ishiwata, A, Fujita, K, Fushinobu, S.
登録日2023-02-10
公開日2023-08-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
Nat Commun, 14, 2023
3PFR
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BU of 3pfr by Molmil
Crystal structure of D-Glucarate dehydratase related protein from Actinobacillus Succinogenes complexed with D-Glucarate
分子名称: D-GLUCARATE, MAGNESIUM ION, Mandelate racemase/muconate lactonizing protein
著者Fedorov, A.A, Fedorov, E.V, Mills-Groninger, F, Ghasempur, S, Gerlt, J.A, Almo, S.C.
登録日2010-10-29
公開日2011-11-02
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Crystal structure of D-Glucarate dehydratase related protein from Actinobacillus Succinogenes complexed with D-Glucarate
To be Published
2B3E
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BU of 2b3e by Molmil
Crystal structure of DB819-D(CGCGAATTCGCG)2 complex.
分子名称: 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', 6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-2-{5-[4-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENYL]THIEN-2-YL}-1H-BENZIMIDAZOLE, MAGNESIUM ION
著者Campbell, N.H, Evans, D.A, Lee, M.P, Parkinson, G.N, Neidle, S.
登録日2005-09-20
公開日2005-11-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Targeting the DNA minor groove with fused ring dicationic compounds: Comparison of in silico screening and a high-resolution crystal structure.
Bioorg.Med.Chem.Lett., 16, 2006
3RZ6
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Neutron structure of perdeuterated rubredoxin using 40 hours 1st pass data
分子名称: FE (III) ION, Rubredoxin
著者Munshi, P, Chung, C.-L, Weiss, K.L, Blakeley, M.P, Myles, D.A.A, Meilleur, F.
登録日2011-05-11
公開日2011-12-28
最終更新日2023-09-13
実験手法NEUTRON DIFFRACTION (1.75 Å)
主引用文献Rapid visualization of hydrogen positions in protein neutron crystallographic structures.
Acta Crystallogr.,Sect.D, 68, 2012
5FTU
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BU of 5ftu by Molmil
Tetrameric complex of Latrophilin 3, Unc5D and FLRT2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADHESION G PROTEIN-COUPLED RECEPTOR L3, CALCIUM ION, ...
著者Jackson, V.A, Mehmood, S, Chavent, M, Roversi, P, Carrasquero, M, del Toro, D, Seyit-Bremer, G, Ranaivoson, F.M, Comoletti, D, Sansom, M.S.P, Robinson, C.V, Klein, R, Seiradake, E.
登録日2016-01-15
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (6.01 Å)
主引用文献Super-Complexes of Adhesion Gpcrs and Neural Guidance Receptors
Nat.Commun., 7, 2016
2FAR
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BU of 2far by Molmil
Crystal Structure of Pseudomonas aeruginosa LigD polymerase domain with dATP and Manganese
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MANGANESE (II) ION, SULFATE ION, ...
著者Zhu, H, Nandakumar, J, Aniukwu, J, Wang, L.K, Glickman, M.S, Lima, C.D, Shuman, S.
登録日2005-12-07
公開日2006-05-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Atomic structure and nonhomologous end-joining function of the polymerase component of bacterial DNA ligase D
Proc.Natl.Acad.Sci.USA, 103, 2006
4GUE
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BU of 4gue by Molmil
Structure of N-terminal kinase domain of RSK2 with flavonoid glycoside quercitrin
分子名称: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, MAGNESIUM ION, Ribosomal protein S6 kinase alpha-3, ...
著者Derewenda, U, Utepbergenov, D, Szukalska, G, Derewenda, Z.S.
登録日2012-08-29
公開日2013-01-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of quercitrin as an inhibitor of the p90 S6 ribosomal kinase (RSK): structure of its complex with the N-terminal domain of RSK2 at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 69, 2013
4GXG
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BU of 4gxg by Molmil
Crystal structure of human GLTP bound with 12:0 monosulfatide (orthorhombic form; four subunits in asymmetric unit)
分子名称: Glycolipid transfer protein, N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide
著者Samygina, V.R, Cabo-Bilbao, A, Goni-de-Cerio, F, Popov, A.N, Malinina, L.
登録日2012-09-04
公開日2013-04-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural insights into lipid-dependent reversible dimerization of human GLTP.
Acta Crystallogr.,Sect.D, 69, 2013
6EQZ
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BU of 6eqz by Molmil
A MamC-MIC insertion in MBP scaffold at position K170
分子名称: Maltose-binding periplasmic protein,Tightly bound bacterial magnetic particle protein,Maltose-binding periplasmic protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Nudelman, H, Zarivach, R.
登録日2017-10-16
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.293 Å)
主引用文献The importance of the helical structure of a MamC-derived magnetite-interacting peptide for its function in magnetite formation.
Acta Crystallogr D Struct Biol, 74, 2018
2FAO
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BU of 2fao by Molmil
Crystal Structure of Pseudomonas aeruginosa LigD polymerase domain
分子名称: SULFATE ION, probable ATP-dependent DNA ligase
著者Zhu, H, Nandakumar, J, Aniukwu, J, Wang, L.K, Glickman, M.S, Lima, C.D, Shuman, S.
登録日2005-12-07
公開日2006-05-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Atomic structure and nonhomologous end-joining function of the polymerase component of bacterial DNA ligase D
Proc.Natl.Acad.Sci.USA, 103, 2006
2ATM
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BU of 2atm by Molmil
Crystal structure of the recombinant allergen Ves v 2
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hyaluronoglucosaminidase, SULFATE ION
著者Skov, L.K, Seppala, U, Coen, J.J.F, Crickmore, N, King, T.P, Monsalve, R, Kastrup, J.S, Spangfort, M.D, Gajhede, M.
登録日2005-08-25
公開日2006-05-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of recombinant Ves v 2 at 2.0 Angstrom resolution: structural analysis of an allergenic hyaluronidase from wasp venom.
Acta Crystallogr.,Sect.D, 62, 2006
3RYG
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BU of 3ryg by Molmil
128 hours neutron structure of perdeuterated rubredoxin
分子名称: FE (III) ION, Rubredoxin
著者Munshi, P, Chung, C.-L, Weiss, K.L, Blakeley, M.P, Myles, D.A.A, Meilleur, F.
登録日2011-05-11
公開日2011-12-28
最終更新日2023-09-13
実験手法NEUTRON DIFFRACTION (1.75 Å)
主引用文献Rapid visualization of hydrogen positions in protein neutron crystallographic structures.
Acta Crystallogr.,Sect.D, 68, 2012
3W5P
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BU of 3w5p by Molmil
Crystal structure of complexes of vitamin D receptor ligand binding domain with lithocholic acid derivatives
分子名称: (3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
著者Masuno, H, Ikura, T, Ito, N.
登録日2013-02-05
公開日2013-06-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of complexes of vitamin D receptor ligand-binding domain with lithocholic acid derivatives.
J.Lipid Res., 54, 2013
4XAK
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BU of 4xak by Molmil
Crystal structure of potent neutralizing antibody m336 in complex with MERS Co-V RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Heavy chain of neutralizing antibody m336, ...
著者Zhou, T, Dimtrov, D.S, Ying, T.
登録日2014-12-15
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Junctional and allele-specific residues are critical for MERS-CoV neutralization by an exceptionally potent germline-like antibody.
Nat Commun, 6, 2015
3W5Q
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Crystal structure of complexes of vitamin D receptor ligand binding domain with lithocholic acid derivatives
分子名称: (5beta,9beta)-3-oxocholan-24-oic acid, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
著者Masuno, H, Ikura, T, Ito, N.
登録日2013-02-05
公開日2013-06-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of complexes of vitamin D receptor ligand-binding domain with lithocholic acid derivatives.
J.Lipid Res., 54, 2013
3EHB
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BU of 3ehb by Molmil
A D-Pathway Mutation Decouples the Paracoccus Denitrificans Cytochrome c Oxidase by Altering the side chain orientation of a distant, conserved Glutamate
分子名称: CALCIUM ION, COPPER (II) ION, Cytochrome c oxidase subunit 1-beta, ...
著者Koepke, J, Mueller, H, Peng, G.
登録日2008-09-12
公開日2008-09-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献A d-pathway mutation decouples the paracoccusdenitrificans cytochrome C oxidase by altering the side-chain orientation of a distant conserved glutamate
J.Mol.Biol., 384, 2008
6FV4
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BU of 6fv4 by Molmil
The structure of N-acetyl-D-glucosamine-6-phosphate deacetylase D267A mutant from Mycobacterium smegmatis in complex with N-acetyl-D-glucosamine-6-phosphate
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, CADMIUM ION, ...
著者Ahangar, M.S, Furze, C.M, Guy, C.S, Cooper, C, Maskew, K.S, Graham, B, Cameron, A.D, Fullam, E.
登録日2018-03-01
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.974 Å)
主引用文献Structural and functional determination of homologs of theMycobacterium tuberculosis N-acetylglucosamine-6-phosphate deacetylase (NagA).
J. Biol. Chem., 293, 2018
3ITV
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BU of 3itv by Molmil
Crystal structure of Pseudomonas stutzeri L-rhamnose isomerase mutant S329K in complex with D-psicose
分子名称: D-psicose, L-rhamnose isomerase, MANGANESE (II) ION
著者Yoshida, H, Yamaji, M, Ishii, T, Izumori, K, Kamitori, S.
登録日2009-08-28
公開日2010-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Catalytic reaction mechanism of Pseudomonas stutzeri l-rhamnose isomerase deduced from X-ray structures
Febs J., 277, 2010
3EKS
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BU of 3eks by Molmil
Crystal Structure of Monomeric Actin bound to Cytochalasin D
分子名称: (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl acetate, ADENOSINE-5'-TRIPHOSPHATE, Actin-5C, ...
著者Nair, U.B, Joel, P.B, Wan, Q, Lowey, S, Rould, M.A, Trybus, K.M.
登録日2008-09-19
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of monomeric actin bound to cytochalasin D.
J.Mol.Biol., 384, 2008
4JX7
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Crystal structure of Pim1 kinase in complex with inhibitor 2-[(trans-4-aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6H)-one
分子名称: 2-[(trans-4-aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6H)-one, PIM1 consensus peptide, Serine/threonine-protein kinase pim-1
著者Lee, S.J, Han, B.G, Cho, J.W, Choi, J.S, Lee, J.K, Song, H.J, Koh, J.S, Lee, B.I.
登録日2013-03-27
公開日2013-08-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of pim1 kinase in complex with a pyrido[4,3-d]pyrimidine derivative suggests a unique binding mode.
Plos One, 8, 2013
4IME
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BU of 4ime by Molmil
Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase K164A Mutant
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, N-acetylneuraminate lyase
著者Fisher, A.J, Huynh, N.
登録日2013-01-02
公開日2013-11-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Basis for Substrate Specificity and Mechanism of N-Acetyl-d-neuraminic Acid Lyase from Pasteurella multocida.
Biochemistry, 52, 2013
4KY8
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BU of 4ky8 by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, methotrexate, FdUMP and 4-((2-amino-6-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)thio)-2-chlorophenyl)-L-glutamic acid
分子名称: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional thymidylate synthase-dihydrofolate reductase, METHOTREXATE, ...
著者Kumar, V.P, Anderson, K.S.
登録日2013-05-28
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.084 Å)
主引用文献Substituted pyrrolo[2,3-d]pyrimidines as Cryptosporidium hominis thymidylate synthase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4MOR
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Pyranose 2-oxidase H450G/V546C double mutant with 3-fluorinated galactose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-deoxy-3-fluoro-beta-D-galactopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
著者Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C.
登録日2013-09-12
公開日2014-02-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion.
Plos One, 9, 2014
5FQF
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The details of glycolipid glycan hydrolysis by the structural analysis of a family 123 glycoside hydrolase from Clostridium perfringens
分子名称: 2-acetamido-2-deoxy-beta-D-galactopyranose, BETA-N-ACETYLGALACTOSAMINIDASE, FORMIC ACID
著者Noach, I, Pluvinage, B, Laurie, C, Abe, K.T, Alteen, M, Vocadlo, D.J, Boraston, A.B.
登録日2015-12-10
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Details of Glycolipid Glycan Hydrolysis by the Structural Analysis of a Family 123 Glycoside Hydrolase from Clostridium Perfringens
J.Mol.Biol., 428, 2016

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