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3MSL
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BU of 3msl by Molmil
Fragment Based Discovery and Optimisation of BACE-1 Inhibitors
分子名称: (3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide, Beta-secretase 1, IODIDE ION
著者Smith, M, Madden, J, Barker, J.
登録日2010-04-29
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Fragment-based discovery and optimization of BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3DCL
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BU of 3dcl by Molmil
Crystal structure of TM1086
分子名称: CHLORIDE ION, POTASSIUM ION, SULFATE ION, ...
著者Chruszcz, M, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2008-06-03
公開日2008-08-05
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of TM1086
To be Published
3ME2
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BU of 3me2 by Molmil
Crystal structure of mouse RANKL-RANK complex
分子名称: CHLORIDE ION, SODIUM ION, Tumor necrosis factor ligand superfamily member 11, ...
著者Walter, S.W, Liu, C.Z, Zhu, X.K, Wu, Y, Owens, R.J, Stuart, D.I, Gao, B, Ren, J.
登録日2010-03-31
公開日2010-06-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and Functional Insights of RANKL-RANK Interaction and Signaling.
J.Immunol., 2010
3MEC
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BU of 3mec by Molmil
HIV-1 Reverse Transcriptase in Complex with TMC125
分子名称: 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, SULFATE ION, p51 Reverse transcriptase, ...
著者Lansdon, E.B.
登録日2010-03-31
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design.
J.Med.Chem., 53, 2010
4K9O
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BU of 4k9o by Molmil
Crystal Structure of the Phe397Ala mutant of Benzoylformate Decarboxylase from Pseudomonas putida
分子名称: Benzoylformate decarboxylase, CALCIUM ION, GLYCEROL, ...
著者Brodkin, H.R, McLeish, M.J.
登録日2013-04-20
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.888 Å)
主引用文献Crystal Structure of the Phe397Ala mutant of Benzoylformate Decarboxylase from Pseudomonas putida
To be Published
3MT6
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BU of 3mt6 by Molmil
Structure of ClpP from Escherichia coli in complex with ADEP1
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACYLDEPSIPEPTIDE 1, ATP-dependent Clp protease proteolytic subunit
著者Chung, Y.S.
登録日2010-04-30
公開日2010-11-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Acyldepsipeptide antibiotics induce the formation of a structured axial channel in ClpP: A model for the ClpX/ClpA-bound state of ClpP.
Chem.Biol., 17, 2010
3D9B
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BU of 3d9b by Molmil
Symmetric structure of E. coli AcrB
分子名称: Acriflavine resistance protein B, NICKEL (II) ION
著者Veesler, D, Blangy, S, Cambillau, C, Sciara, G.
登録日2008-05-27
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.42 Å)
主引用文献There is a baby in the bath water: AcrB contamination is a major problem in membrane-protein crystallization.
Acta Crystallogr.,Sect.F, 64, 2008
4UJ5
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BU of 4uj5 by Molmil
Crystal structure of human Rab11-Rabin8-FIP3
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, RAB-3A-INTERACTING PROTEIN, ...
著者Vetter, M, Lorentzen, E.
登録日2015-04-08
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.604 Å)
主引用文献Structure of Rab11-Fip3-Rabin8 Reveals Simultaneous Binding of Fip3 and Rabin8 Effectors to Rab11.
Nat.Struct.Mol.Biol., 22, 2015
3MF5
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BU of 3mf5 by Molmil
Hepatitis C virus polymerase NS5B (BK) with amide bioisostere thumb site inhibitor
分子名称: 3-[2-(trans-4-methylcyclohexyl)phenyl]-5-phenylthiophene-2-carboxylic acid, GLYCEROL, RNA-directed RNA polymerase
著者Harris, S.F, Tavares, G, Ghate, M.
登録日2010-04-01
公開日2010-07-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cyclic amide bioisosterism: Strategic application to the design and synthesis of HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
4KAT
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BU of 4kat by Molmil
Crystal structure of FDTS from T. maritima mutant (R174K) with FAD and dUMP
分子名称: 2'-DEOXYURIDINE-5'-MONOPHOSPHATE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Thymidylate synthase
著者Mathews, I.I.
登録日2013-04-22
公開日2014-03-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Flavin-Dependent Thymidylate Synthase as a Drug Target for Deadly Microbes: Mutational Study and a Strategy for Inhibitor Design.
J Bioterror Biodef, Suppl 12, 2013
3D95
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BU of 3d95 by Molmil
Crystal Structure of the R132K:Y134F:R111L:L121E:T54V Mutant of Apo-Cellular Retinoic Acid Binding Protein Type II at 1.20 Angstroms Resolution
分子名称: Cellular retinoic acid-binding protein 2
著者Vaezeslami, S, Geiger, J.H.
登録日2008-05-26
公開日2008-07-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural analysis of site-directed mutants of cellular retinoic acid-binding protein II addresses the relationship between structural integrity and ligand binding.
Acta Crystallogr.,Sect.D, 64, 2008
3MFU
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BU of 3mfu by Molmil
CASK-4M CaM Kinase Domain, AMPPNP-Mn2+
分子名称: MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Peripheral plasma membrane protein CASK
著者Wahl, M.C, Mukherjee, K.
登録日2010-04-03
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Evolution of CASK into a Mg2+-sensitive kinase.
Sci.Signal., 3, 2010
3LZZ
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BU of 3lzz by Molmil
Crystal structures of Cupin superfamily BbDUF985 from Branchiostoma belcheri tsingtauense in apo and GDP-bound forms
分子名称: ACETATE ION, GUANOSINE-5'-DIPHOSPHATE, Putative uncharacterized protein
著者Du, Y, He, Y.-X, Saren, G, Zhang, X, Zhang, S.-C, Chen, Y, Zhou, C.-Z.
登録日2010-03-02
公開日2010-06-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of the apo and GDP-bound forms of a cupin-like protein BbDUF985 from Branchiostoma belcheri tsingtauense
Proteins, 2010
4KNF
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BU of 4knf by Molmil
Crystal structure of a blue-light absorbing proteorhodopsin double-mutant D97N/Q105L from HOT75
分子名称: Blue-light absorbing proteorhodopsin, RETINAL
著者Ran, T, Ozorowski, G, Gao, Y, Wang, W, Luecke, H.
登録日2013-05-09
公開日2013-06-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Cross-protomer interaction with the photoactive site in oligomeric proteorhodopsin complexes.
Acta Crystallogr.,Sect.D, 69, 2013
3D9I
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BU of 3d9i by Molmil
Snapshots of the RNA processing factor SCAF8 bound to different phosphorylated forms of the Carboxy-Terminal Domain of RNA-Polymerase II
分子名称: AMMONIUM ION, GLYCEROL, RNA-binding protein 16, ...
著者Becker, R, Loll, B, Meinhart, A.
登録日2008-05-27
公開日2008-06-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.907 Å)
主引用文献Snapshots of the RNA Processing Factor SCAF8 Bound to Different Phosphorylated Forms of the Carboxyl-terminal Domain of RNA Polymerase II.
J.Biol.Chem., 283, 2008
4WA4
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BU of 4wa4 by Molmil
The crystal structure of neuraminidase from a H3N8 influenza virus isolated from New England harbor seals in complex with oseltamivir carboxylate
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase, ...
著者Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J.
登録日2014-08-28
公開日2015-01-14
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals.
J.Virol., 89, 2015
4KBC
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BU of 4kbc by Molmil
CK1d in complex with {4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDIN-2-YL}METHANOL inhibitor
分子名称: 1,2-ETHANEDIOL, Casein kinase I isoform delta, SULFATE ION, ...
著者Liu, S.
登録日2013-04-23
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Ligand-protein interactions of selective casein kinase 1 delta inhibitors.
J.Med.Chem., 56, 2013
3DA3
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BU of 3da3 by Molmil
Crystal Structure of Colicin M, A Novel Phosphatase Specifically Imported by Escherichia Coli
分子名称: Colicin-M, MAGNESIUM ION
著者Zeth, K, Albrecht, R, Romer, C, Braun, V.
登録日2008-05-28
公開日2008-09-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of colicin M, a novel phosphatase specifically imported by Escherichia coli
J.Biol.Chem., 283, 2008
3M0B
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BU of 3m0b by Molmil
Ru-Porphyrin Protein Scaffolds for Sensing O2
分子名称: CARBON MONOXIDE, Methyl-accepting chemotaxis protein, [3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]ruthenium
著者Winter, M.B, McLaurin, E.J, Reece, S.Y, Olea Jr, C, Nocera, D.G, Marletta, M.A.
登録日2010-03-02
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ru-porphyrin protein scaffolds for sensing O2.
J.Am.Chem.Soc., 132, 2010
3M0J
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BU of 3m0j by Molmil
Structure of oxaloacetate acetylhydrolase in complex with the inhibitor 3,3-difluorooxalacetate
分子名称: 2,2-difluoro-3,3-dihydroxybutanedioic acid, CALCIUM ION, MANGANESE (II) ION, ...
著者Herzberg, O, Chen, C.
登録日2010-03-03
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of oxalacetate acetylhydrolase, a virulence factor of the chestnut blight fungus.
J.Biol.Chem., 285, 2010
4KNT
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Copper nitrite reductase from Nitrosomonas europaea pH 8.5
分子名称: COPPER (II) ION, GLYCEROL, Multicopper oxidase type 1
著者Rosenzweig, A.C, Lawton, T.L, Sayavedra-Soto, L.A, Arp, D.J.
登録日2013-05-10
公開日2013-07-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterization of a nitrite reductase involved in nitrifier denitrification.
J.Biol.Chem., 288, 2013
4UJA
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Protein Kinase A in complex with an Inhibitor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-{(3S,4R)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3H)-one, BROMIDE ION, ...
著者Alam, K.A, Engh, R.A.
登録日2015-04-09
公開日2016-04-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of Pka and a Pkb Mimic.
Chemistry, 22, 2016
3DAW
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Structure of the actin-depolymerizing factor homology domain in complex with actin
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Paavilainen, V.O, Oksanen, E, Goldman, A, Lappalainen, P.
登録日2008-05-30
公開日2008-07-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure of the actin-depolymerizing factor homology domain in complex with actin
J.Cell Biol., 182, 2008
3D8B
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Crystal structure of human fidgetin-like protein 1 in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Fidgetin-like protein 1
著者Karlberg, T, Wisniewska, M, Andersson, J, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Welin, M, Wikstrom, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2008-05-23
公開日2008-08-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human fidgetin-like protein 1.
To be Published
3M1O
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Human Transthyretin (TTR) complexed with 2-((3,5-dichloro-4-hydroxyphenyl)amino)benzoic acid
分子名称: 2-[(3,5-dichloro-4-hydroxyphenyl)amino]benzoic acid, Transthyretin
著者Kolstoe, S.E, Wood, S.P.
登録日2010-03-05
公開日2010-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Trapping of palindromic ligands within native transthyretin prevents amyloid formation.
Proc.Natl.Acad.Sci.USA, 107, 2010

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