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7JMM
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BU of 7jmm by Molmil
Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RAKNIILLSR
分子名称: Alkaline phosphatase, Chaperone protein DnaK, SULFATE ION
著者Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C.
登録日2020-08-02
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
4GSX
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BU of 4gsx by Molmil
High resolution structure of dengue virus serotype 1 sE containing stem
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, CHLORIDE ION, ...
著者Klein, D.E, Choi, J.L, Harrison, S.C.
登録日2012-08-28
公開日2012-12-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Structure of a dengue virus envelope protein late-stage fusion intermediate.
J.Virol., 87, 2013
1KE6
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BU of 1ke6 by Molmil
CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE
分子名称: Cell division protein kinase 2, N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE
著者Bramson, H.N, Corona, J, Davis, S.T, Dickerson, S.H, Edelstein, M, Frye, S.V, Gampe, R.T, Hassell, A.H, Shewchuk, L.M, Kuyper, L.F.
登録日2001-11-14
公開日2002-05-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis.
J.Med.Chem., 44, 2001
4Q6D
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BU of 4q6d by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-[(Z)-azepan-1-yldiazenyl]benzenesulfonamide
分子名称: 4-[(E)-azepan-1-yldiazenyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2014-04-22
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献4-Amino-substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases.
Molecules, 19, 2014
5NAL
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BU of 5nal by Molmil
The crystal structure of inhibitor-15 covalently bound to PDE6D
分子名称: Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, ~{N}4-[(4-chlorophenyl)methyl]-~{N}1-(cyclohexylmethyl)-~{N}4-cyclopentyl-~{N}1-[(~{Z})-4-[(~{E})-methyliminomethyl]-5-oxidanyl-hex-4-enyl]benzene-1,4-disulfonamide
著者Fansa, E.K, Martin-Gago, P, Waldmann, H, Wittinghofer, A.
登録日2017-02-28
公開日2017-05-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Covalent Protein Labeling at Glutamic Acids.
Cell Chem Biol, 24, 2017
3MEG
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BU of 3meg by Molmil
HIV-1 K103N Reverse Transcriptase in Complex with TMC278
分子名称: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, 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 (2.8 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
1TUG
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BU of 1tug by Molmil
Aspartate Transcarbamoylase Catalytic Chain Mutant E50A Complex with Phosphonoacetamide, Malonate, and Cytidine-5-Prime-Triphosphate (CTP)
分子名称: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, CYTIDINE-5'-TRIPHOSPHATE, ...
著者Stieglitz, K, Stec, B, Baker, D.P, Kantrowitz, E.R.
登録日2004-06-24
公開日2004-07-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Monitoring the Transition from the T to the R State in E.coli Aspartate Transcarbamoylase by X-ray Crystallography: Crystal Structures of the E50A Mutant Enzyme in Four Distinct Allosteric States.
J.Mol.Biol., 341, 2004
1TTH
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BU of 1tth by Molmil
Aspartate Transcarbamoylase Catalytic Chain Mutant Glu50Ala Complexed with N-(Phosphonacetyl-L-Aspartate) (PALA)
分子名称: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, ...
著者Stieglitz, K, Stec, B, Baker, D.P, Kantrowitz, E.R.
登録日2004-06-22
公開日2004-07-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Monitoring the Transition from the T to the R State in E.coli Aspartate Transcarbamoylase by X-ray Crystallography: Crystal Structures of the E50A Mutant Enzyme in Four Distinct Allosteric States.
J.Mol.Biol., 341, 2004
7DYQ
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BU of 7dyq by Molmil
Crystal structure of histone lysine demethylase 4D (KDM4D) in complex with the inhibitor 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile
分子名称: 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile, FE (III) ION, Lysine-specific demethylase 4D
著者Wang, T, Yang, L.
登録日2021-01-22
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Crystal structure of histone lysine demethylase 4D (KDM4D) in complex with the inhibitor 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile
To Be Published
3BDW
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BU of 3bdw by Molmil
Human CD94/NKG2A
分子名称: NKG2-A/NKG2-B type II integral membrane protein, Natural killer cells antigen CD94
著者Sullivan, L.C, Clements, C.S.
登録日2007-11-15
公開日2008-01-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Heterodimeric Assembly of the CD94-NKG2 Receptor Family and Implications for Human Leukocyte Antigen-E Recognition
Immunity, 27, 2007
4HJU
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BU of 4hju by Molmil
Transthyretin in complex with (E)-N-(3-(4-hydroxy-3,5-dimethylstyryl)phenyl)acrylamide
分子名称: N-{3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}prop-2-enamide, Transthyretin
著者Connelly, S, Wilson, I.A.
登録日2012-10-14
公開日2013-12-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Stilbene vinyl sulfonamides as fluorogenic sensors of and traceless covalent kinetic stabilizers of transthyretin that prevent amyloidogenesis.
J.Am.Chem.Soc., 135, 2013
3N7O
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BU of 3n7o by Molmil
X-ray structure of human chymase in complex with small molecule inhibitor.
分子名称: (S)-[(1S)-1-(5-chloro-1-benzothiophen-3-yl)-2-{[(E)-2-(3,4-difluorophenyl)ethenyl]amino}-2-oxoethyl]methylphosphinic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chymase, ...
著者Abad, M.C, Kervinen, J, Crysler, C, Bayoumy, S, Spurlino, J, Deckman, I, Greco, M.N, Maryanoff, B.E, Degaravilla, L.
登録日2010-05-27
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Potency variation of small-molecule chymase inhibitors across species.
Biochem. Pharmacol., 80, 2010
1G1T
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BU of 1g1t by Molmil
CRYSTAL STRUCTURE OF E-SELECTIN LECTIN/EGF DOMAINS COMPLEXED WITH SLEX
分子名称: CALCIUM ION, E-SELECTIN, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
著者Somers, W.S, Camphausen, R.T.
登録日2000-10-13
公開日2001-10-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Insights into the molecular basis of leukocyte tethering and rolling revealed by structures of P- and E-selectin bound to SLe(X) and PSGL-1.
Cell(Cambridge,Mass.), 103, 2000
1Y6V
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BU of 1y6v by Molmil
Structure of E. coli Alkaline Phosphatase in presence of cobalt at 1.60 A resolution
分子名称: Alkaline phosphatase, COBALT (II) ION, PHOSPHATE ION, ...
著者Wang, J, Stieglitz, K, Kantrowitz, E.R.
登録日2004-12-07
公開日2005-06-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Metal Specificity Is Correlated with Two Crucial Active Site Residues in Escherichia coli Alkaline Phosphatase(,).
Biochemistry, 44, 2005
3WHI
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BU of 3whi by Molmil
Crystal structure of unautoprocessed form of IS1-inserted Pro-subtilisin E
分子名称: CALCIUM ION, Subtilisin E
著者Uehara, R, Angkawidjaja, C, Koga, Y, Kanaya, S.
登録日2013-08-26
公開日2013-12-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Formation of the High-Affinity Calcium Binding Site in Pro-subtilisin E with the Insertion Sequence IS1 of Pro-Tk-subtilisin
Biochemistry, 52, 2013
2AWQ
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BU of 2awq by Molmil
Solution Structure of pseudouridine-32 modified anticodon stem-loop of E. coli tRNAPhe
分子名称: 5'-R(*GP*GP*GP*GP*AP*(PSU)P*UP*GP*AP*AP*AP*AP*UP*CP*CP*CP*C)-3'
著者Cabello-Villegas, J, Nikonowicz, E.P.
登録日2005-09-01
公開日2006-01-17
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of psi32-modified anticodon stem-loop of Escherichia coli tRNAPhe.
Nucleic Acids Res., 33, 2005
1TU0
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BU of 1tu0 by Molmil
Aspartate Transcarbamoylase Catalytic Chain Mutant E50A Complex with Phosphonoacetamide
分子名称: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, PHOSPHONOACETAMIDE, ...
著者Stieglitz, K, Stec, B, Baker, D.P, Kantrowitz, E.R.
登録日2004-06-23
公開日2004-07-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Monitoring the Transition from the T to the R State in E.coli Aspartate Transcarbamoylase by X-ray Crystallography: Crystal Structures of the E50A Mutant Enzyme in Four Distinct Allosteric States.
J.Mol.Biol., 341, 2004
1PS6
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BU of 1ps6 by Molmil
Crystal structure of E.coli PdxA
分子名称: 4-HYDROXY-L-THREONINE-5-MONOPHOSPHATE, 4-hydroxythreonine-4-phosphate dehydrogenase, ZINC ION
著者Sivaraman, J, Li, Y, Banks, J, Cane, D.E, Matte, A, Cygler, M.
登録日2003-06-20
公開日2003-11-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of Escherichia coli PdxA, an Enzyme Involved in the Pyridoxal Phosphate Biosynthesis Pathway
J.Biol.Chem., 278, 2003
2WKX
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BU of 2wkx by Molmil
Crystal structure of the native E. coli zinc amidase AmiD
分子名称: CHLORIDE ION, GLYCEROL, N-ACETYLMURAMOYL-L-ALANINE AMIDASE AMID, ...
著者Petrella, S, Kerff, F, Herman, R, Genereux, C, Pennartz, A, Sauvage, E, Joris, B, Charlier, P.
登録日2009-06-18
公開日2010-01-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Specific Structural Features of the N-Acetylmuramoyl-L-Alanine Amidase Amid from Escherichia Coli and Mechanistic Implications for Enzymes of This Family.
J.Mol.Biol., 397, 2010
1TOI
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BU of 1toi by Molmil
Hydrocinnamic acid-bound structure of Hexamutant + A293D mutant of E. coli aspartate aminotransferase
分子名称: Aspartate aminotransferase, HYDROCINNAMIC ACID
著者Chow, M.A, McElroy, K.E, Corbett, K.D, Berger, J.M, Kirsch, J.F.
登録日2004-06-14
公開日2004-10-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Narrowing substrate specificity in a directly evolved enzyme: the A293D mutant of aspartate aminotransferase
Biochemistry, 43, 2004
3JZ1
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BU of 3jz1 by Molmil
Crystal structure of human thrombin mutant N143P in E:Na+ form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, NITRATE ION, ...
著者Niu, W, Chen, Z, Bush-Pelc, L.A, Bah, A, Gandhi, P.S, Di Cera, E.
登録日2009-09-22
公開日2009-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Mutant N143P reveals how Na+ activates thrombin
J.Biol.Chem., 284, 2009
1PTM
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BU of 1ptm by Molmil
Crystal structure of E.coli PdxA
分子名称: 4-hydroxythreonine-4-phosphate dehydrogenase, PHOSPHATE ION, ZINC ION
著者Sivaraman, J, Li, Y, Banks, J, Cane, D.E, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2003-06-23
公開日2003-11-04
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal Structure of Escherichia coli PdxA, an Enzyme Involved in the Pyridoxal Phosphate Biosynthesis Pathway
J.Biol.Chem., 278, 2003
1GKS
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BU of 1gks by Molmil
ECTOTHIORHODOSPIRA HALOPHILA CYTOCHROME C551 (REDUCED), NMR, 37 STRUCTURES
分子名称: CYTOCHROME C551, PROTOPORPHYRIN IX CONTAINING FE
著者Bersch, B, Blackledge, M.J, Meyer, T.E, Marion, D.
登録日1996-07-16
公開日1997-01-27
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Ectothiorhodospira halophila ferrocytochrome c551: solution structure and comparison with bacterial cytochromes c.
J.Mol.Biol., 264, 1996
4P6F
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BU of 4p6f by Molmil
Crystal structure of the peptolide 12C bound to bacterial ribosome
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Fagan, C.E, Dunham, C.M.
登録日2014-03-24
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Macrolide-Peptide Conjugates as Probes of the Path of Travel of the Nascent Peptides through the Ribosome.
Acs Chem.Biol., 9, 2014
1OO6
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BU of 1oo6 by Molmil
Nitroreductase from e-coli in complex with the dinitrobenzamide prodrug SN23862
分子名称: 5-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4-DINTRO-BENZAMIDE, FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase
著者Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S.
登録日2003-03-03
公開日2003-04-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form
J.Med.Chem., 46, 2003

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