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2YA1
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Product complex of a multi-modular glycogen-degrading pneumococcal virulence factor SpuA
分子名称: PUTATIVE ALKALINE AMYLOPULLULANASE, SODIUM ION, SULFATE ION, ...
著者Lammerts van Bueren, A, Ficko-Blean, E, Pluvinage, B, Hehemann, J.H, Higgins, M.A, Deng, L, Ogunniyi, A.D, Stroeher, U.H, Warry, N.E, Burke, R.D, Czjzek, M, Paton, J.C, Vocadlo, D.J, Boraston, A.B.
登録日2011-02-17
公開日2011-04-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The Conformation and Function of a Multimodular Glycogen-Degrading Pneumococcal Virulence Factor.
Structure, 19, 2011
2YCY
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TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND ANTAGONIST CYANOPINDOLOL
分子名称: 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, BETA-1 ADRENERGIC RECEPTOR, SODIUM ION, ...
著者Moukhametzianov, R, Warne, T, Edwards, P.C, Serrano-Vega, M.J, Leslie, A.G.W, Tate, C.G, Schertler, G.F.X.
登録日2011-03-17
公開日2011-06-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Two Distinct Conformations of Helix 6 Observed in Antagonist-Bound Structures of a {Beta}1- Adrenergic Receptor.
Proc.Natl.Acad.Sci.USA, 108, 2011
3F3A
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BU of 3f3a by Molmil
Crystal Structure of LeuT bound to L-Tryptophan and Sodium
分子名称: SODIUM ION, TETRADECANE, TRYPTOPHAN, ...
著者Singh, S.K, Piscitelli, C.L, Yamashita, A, Gouaux, E.
登録日2008-10-30
公開日2008-12-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A competitive inhibitor traps LeuT in an open-to-out conformation.
Science, 322, 2008
3WAY
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BU of 3way by Molmil
Crystal Structure of Autotaxin in Complex with 4BoA
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Nishimasu, H, Ishitani, R, Nureki, O.
登録日2013-05-09
公開日2013-07-31
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.746 Å)
主引用文献Screening and X-ray Crystal Structure-based Optimization of Autotaxin (ENPP2) Inhibitors, Using a Newly Developed Fluorescence Probe
Acs Chem.Biol., 8, 2013
3H4Z
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BU of 3h4z by Molmil
Crystal Structure of an MBP-Der p 7 fusion protein
分子名称: Maltose-binding periplasmic protein fused with Allergen DERP7, SODIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Pedersen, L.C, Mueller, G.A, London, R.E.
登録日2009-04-21
公開日2010-03-31
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The structure of the dust mite allergen Der p 7 reveals similarities to innate immune proteins.
J.Allergy Clin.Immunol., 125, 2010
2Y8V
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Structure of chitinase, ChiC, from Aspergillus fumigatus.
分子名称: CLASS III CHITINASE, PUTATIVE, SODIUM ION
著者Rush, C.L, Schuettelkopf, A.W, Gay, L.M, van Aalten, D.M.F.
登録日2011-02-10
公開日2012-02-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure of Chitinase, Chic, from Aspergillus Fumigatus.
To be Published
2YGO
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BU of 2ygo by Molmil
WIF domain-EGF-like domain 1 of human Wnt inhibitory factor 1 in complex with 1,2-dipalmitoylphosphatidylcholine
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, ...
著者Malinauskas, T, Aricescu, A.R, Lu, W, Siebold, C, Jones, E.Y.
登録日2011-04-19
公開日2011-07-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Modular Mechanism of Wnt Signaling Inhibition by Wnt Inhibitory Factor 1
Nat.Struct.Mol.Biol., 18, 2011
2PJP
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BU of 2pjp by Molmil
Structure of the mRNA-binding domain of elongation factor SelB from E.coli in complex with SECIS RNA
分子名称: CALCIUM ION, CHLORIDE ION, MAGNESIUM ION, ...
著者Soler, N, Fourmy, D, Yoshizawa, S.
登録日2007-04-16
公開日2007-10-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insight into a molecular switch in tandem winged-helix motifs from elongation factor SelB.
J.Mol.Biol., 370, 2007
2QTB
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Human dipeptidyl peptidase iv/cd26 in complex with a 4-aryl cyclohexylalanine inhibitor
分子名称: (2S,3S)-3-AMINO-4-(3,3-DIFLUOROPYRROLIDIN-1-YL)-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YLCYCLOHEXYL)BUTANAMIDE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G.
登録日2007-08-01
公開日2007-11-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献4-Arylcyclohexylalanine analogs as potent, selective, and orally active inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 17, 2007
2QJU
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BU of 2qju by Molmil
Crystal Structure of an NSS Homolog with Bound Antidepressant
分子名称: 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE, CHLORIDE ION, LEUCINE, ...
著者Zhou, Z, Karpowich, N.K, Wang, D.N, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2007-07-09
公開日2007-08-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献LeuT-desipramine structure reveals how antidepressants block neurotransmitter reuptake.
Science, 317, 2007
2YFO
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BU of 2yfo by Molmil
GALACTOSIDASE DOMAIN OF ALPHA-GALACTOSIDASE-SUCROSE KINASE, AGASK, in complex with galactose
分子名称: ALPHA-GALACTOSIDASE-SUCROSE KINASE AGASK, GLYCEROL, PHOSPHATE ION, ...
著者Sulzenbacher, G, Bruel, L, Tison-Cervera, M, Pujol, A, Nicoletti, C, Perrier, J, Galinier, A, Ropartz, D, Fons, M, Pompeo, F, Giardina, T.
登録日2011-04-07
公開日2011-09-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Agask, a Bifunctional Enzyme from the Human Microbiome Coupling Galactosidase and Kinase Activities
J.Biol.Chem., 286, 2011
2YGM
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BU of 2ygm by Molmil
THE X-RAY CRYSTAL STRUCTURE OF TANDEM CBM51 MODULES OF SP3GH98, THE FAMILY 98 GLYCOSIDE HYDROLASE FROM STREPTOCOCCUS PNEUMONIAE SP3-BS71, IN COMPLEX WITH THE BLOOD GROUP B ANTIGEN
分子名称: BLOOD GROUP A-AND B-CLEAVING ENDO-BETA-GALACTOSIDASE, CALCIUM ION, SODIUM ION, ...
著者Higgins, M.A, Ficko-Blean, E, Wright, C, Meloncelli, P.J, Lowary, T.L, Boraston, A.B.
登録日2011-04-19
公開日2011-06-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The Overall Architecture and Receptor Binding of Pneumococcal Carbohydrate Antigen Hydrolyzing Enzymes.
J.Mol.Biol., 411, 2011
2YA2
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BU of 2ya2 by Molmil
Catalytic Module of the Multi-modular glycogen-degrading pneumococcal virulence factor SpuA in complex with an inhibitor.
分子名称: CALCIUM ION, PUTATIVE ALKALINE AMYLOPULLULANASE, SODIUM ION, ...
著者Lammerts van Bueren, A, Ficko-Blean, E, Pluvinage, B, Hehemann, J.H, Higgins, M.A, Deng, L, Ogunniyi, A.D, Stroeher, U.H, Warry, N.E, Burke, R.D, Czjzek, M, Paton, J.C, Vocadlo, D.J, Boraston, A.B.
登録日2011-02-17
公開日2011-04-20
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献The Conformation and Function of a Multimodular Glycogen-Degrading Pneumococcal Virulence Factor.
Structure, 19, 2011
2QQU
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BU of 2qqu by Molmil
Crystal structure of a cell-wall invertase (D239A) from Arabidopsis thaliana in complex with sucrose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-fructofuranosidase, ...
著者Lammens, W, Le Roy, K, Van Laere, A, Rabijns, A, Van den Ende, W.
登録日2007-07-27
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Crystal structures of Arabidopsis thaliana cell-wall invertase mutants in complex with sucrose.
J.Mol.Biol., 377, 2008
2QOE
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BU of 2qoe by Molmil
Human Dipeptidyl Peptidase IV in complex with a Triazolopiperazine-based beta amino acid Inhibitor
分子名称: (2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G.
登録日2007-07-20
公開日2007-11-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design, synthesis, and biological evaluation of triazolopiperazine-based beta-amino amides as potent, orally active dipeptidyl peptidase IV (DPP-4) inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2QSV
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BU of 2qsv by Molmil
Crystal structure of protein of unknown function from Porphyromonas gingivalis W83
分子名称: SODIUM ION, SULFATE ION, Uncharacterized protein
著者Binkowski, T.A, Duggan, E, Shui, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2007-07-31
公開日2007-09-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Protein of unknown function from Porphyromonas gingivalis W83.
TO BE PUBLISHED
4AX9
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BU of 4ax9 by Molmil
Human thrombin complexed with Napsagatran, RO0466240
分子名称: 2-[[(2S)-4-[[(3S)-1-carbamimidoylpiperidin-3-yl]methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl] -cyclopropyl-amino]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-1, ...
著者Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K, Spinelli, S, Cambillau, C.
登録日2012-06-11
公開日2012-06-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors.
J.Med.Chem., 37, 1994
4BAM
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BU of 4bam by Molmil
Thrombin in complex with inhibitor
分子名称: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-1, ...
著者Xue, Y, Musil, D.
登録日2012-09-14
公開日2013-01-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
4AYV
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BU of 4ayv by Molmil
Human thrombin - inhibitor complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN-3A', SODIUM ION, ...
著者Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K.
登録日2012-06-22
公開日2012-08-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors.
J.Med.Chem., 37, 1994
4B0O
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BU of 4b0o by Molmil
Crystal structure of soman-aged human butyrylcholinesterase in complex with benzyl pyridinium-4-methyltrichloroacetimidate
分子名称: 1-BENZYL-4-({[(1E)-2,2,2-TRICHLOROETHANIMIDOYL]OXY}METHYL)PYRIDINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wandhammer, M, de Koning, M, van Grol, M, Noort, D, Goeldner, M, Nachon, F.
登録日2012-07-04
公開日2012-08-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A Step Toward the Reactivation of Aged Cholinesterases -Crystal Structure of Ligands Binding to Aged Human Butyrylcholinesterase
Chem.Biol.Interact, 203, 2013
2R22
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BU of 2r22 by Molmil
Structure of the native RNA tridecamer r(GCGUUUGAAACGC) at 1.5 A (NatMn)
分子名称: MANGANESE (II) ION, RNA (5'-R(*GP*CP*GP*UP*UP*UP*GP*AP*AP*AP*CP*GP*C)-3'), SODIUM ION
著者Timsit, Y, Bombard, S.
登録日2007-08-24
公開日2007-09-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The 1.3 A structure of the tridecamer r(GCGUUUGAAACGC)
TO BE PUBLISHED
3UU8
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BU of 3uu8 by Molmil
The GLIC pentameric Ligand-Gated Ion Channel Loop2-24' mutant reduced in solution
分子名称: CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ...
著者Sauguet, L, Nury, H, Corringer, P.J, Delarue, M.
登録日2011-11-28
公開日2012-05-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献A locally closed conformation of a bacterial pentameric proton-gated ion channel.
Nat.Struct.Mol.Biol., 19, 2012
3UZ5
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Designed protein KE59 R13 3/11H
分子名称: 5,7-dichloro-1H-benzotriazole, Kemp eliminase KE59 R13 3/11H, PHOSPHATE ION, ...
著者Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
登録日2011-12-07
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc.Natl.Acad.Sci.USA, 109, 2012
3USP
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Crystal structure of LeuT in heptyl-beta-D-Selenoglucoside
分子名称: CHLORIDE ION, LEUCINE, SODIUM ION, ...
著者Wang, H, Elferich, J, Gouaux, E.
登録日2011-11-23
公開日2012-01-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of LeuT in bicelles define conformation and substrate binding in a membrane-like context.
Nat.Struct.Mol.Biol., 19, 2012
3V1W
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Molecular Basis for Multiple Ligand Binding of Calsequestrin and Potential Inhibition by Caffeine and Gallocatecin
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Subramanian, A.K, Nissen, M.N, Lewis, K.M, Sanchez, E.J, Muralidharan, A.K, Kang, C.
登録日2011-12-10
公開日2012-12-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.908 Å)
主引用文献Molecular Basis for Multiple Ligand Binding of Calsequestrin and Potential Inhibition by Caffeine and Gallocatecin
To be Published

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