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5FA5
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BU of 5fa5 by Molmil
Crystal Structure of PRMT5:MEP50 in complex with MTA and H4 peptide
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Histone H4, Methylosome protein 50, ...
著者Sprague, E.R, McNamara, J.T.
登録日2015-12-10
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Disordered methionine metabolism in MTAP/CDKN2A-deleted cancers leads to dependence on PRMT5.
Science, 351, 2016
5FAQ
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BU of 5faq by Molmil
OXA-48 in complex with FPI-1465
分子名称: Beta-lactamase, CADMIUM ION, CHLORIDE ION, ...
著者King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D.
登録日2015-12-11
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
5FP8
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BU of 5fp8 by Molmil
Crystal structure of human KDM4D in complex with 3-4-methylthiophen-2- ylmethylaminopyridine-4-carboxylic acid
分子名称: 3-[(4-methylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid, COBALT (II) ION, LYSINE-SPECIFIC DEMETHYLASE 4D, ...
著者Chung, C.
登録日2015-11-27
公開日2016-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
5FP7
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BU of 5fp7 by Molmil
Crystal structure of human KDM4D in complex with 3-4-methylthiophen-2- yl methylaminopyridine-4-carboxylic acid
分子名称: 3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid, FE (II) ION, GLYCEROL, ...
著者Chung, C.
登録日2015-11-27
公開日2016-11-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cell Penetrant Inhibitors of the KDM4 and KDM5 Families of Histone Lysine Demethylases. 2. Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives.
J. Med. Chem., 59, 2016
5G3X
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BU of 5g3x by Molmil
Structure of recombinant granulovirus polyhedrin
分子名称: GRANULOVIRUS POLYHEDRIN
著者Bunker, R.D, Chiu, E, Metcalf, P.
登録日2016-05-02
公開日2017-02-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Atomic structure of granulin determined from native nanocrystalline granulovirus using an X-ray free-electron laser.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2FWB
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BU of 2fwb by Molmil
Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) H89F from the acidophilic bacterium Acetobacter aceti, at pH 8
分子名称: N5-carboxyaminoimidazole ribonucleotide mutase
著者Starks, C.M, Kappock, T.J.
登録日2006-02-01
公開日2006-06-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biochemical and Structural Studies of N(5)-Carboxyaminoimidazole Ribonucleotide Mutase from the Acidophilic Bacterium Acetobacter aceti.
Biochemistry, 45, 2006
2FWJ
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BU of 2fwj by Molmil
Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) from the acidophilic bacterium Acetobacter aceti, complexed with AIR (5-aminoimidazole ribonucleotide)
分子名称: 5-AMINOIMIDAZOLE RIBONUCLEOTIDE, N5-carboxyaminoimidazole ribonucleotide mutase
著者Starks, C.M, Kappock, T.J.
登録日2006-02-02
公開日2006-06-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Biochemical and Structural Studies of N(5)-Carboxyaminoimidazole Ribonucleotide Mutase from the Acidophilic Bacterium Acetobacter aceti.
Biochemistry, 45, 2006
5HI3
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BU of 5hi3 by Molmil
Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists
分子名称: CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, Interleukin-17A, ...
著者Liu, S.
登録日2016-01-11
公開日2016-08-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6, 2016
2F6Z
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BU of 2f6z by Molmil
Protein tyrosine phosphatase 1B with sulfamic acid inhibitors
分子名称: CHLORIDE ION, MAGNESIUM ION, Tyrosine-protein phosphatase, ...
著者Evdokimov, A.G, Pokross, M.E, Klopfenstein, S.R.
登録日2005-11-29
公開日2005-12-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献1,2,3,4-Tetrahydroisoquinolinyl sulfamic acids as phosphatase PTP1B inhibitors
Bioorg.Med.Chem.Lett., 16, 2006
2FBX
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BU of 2fbx by Molmil
WRN exonuclease, Mg complex
分子名称: MAGNESIUM ION, Werner syndrome helicase
著者Perry, J.J.
登録日2005-12-10
公開日2006-04-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献WRN exonuclease structure and molecular mechanism imply an editing role in DNA end processing.
Nat.Struct.Mol.Biol., 13, 2006
2F71
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BU of 2f71 by Molmil
Protein tyrosine phosphatase 1B with sulfamic acid inhibitors
分子名称: 3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-3-OXO-PROPYL]-BENZOIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Evdokimov, A.G, Pokross, M.E, Klopfenstein, S.R.
登録日2005-11-29
公開日2005-12-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献1,2,3,4-Tetrahydroisoquinolinyl sulfamic acids as phosphatase PTP1B inhibitors
Bioorg.Med.Chem.Lett., 16, 2006
1RCT
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BU of 1rct by Molmil
Crystal structure of Human purine nucleoside phosphorylase complexed with INOSINE
分子名称: INOSINE, Purine nucleoside phosphorylase, SULFATE ION
著者Canduri, F, dos Santos, D.M, Silva, R.G, Mendes, M.A, Palma, M.S, de Azevedo Jr, W.F, Basso, L.A, Santos, D.S.
登録日2003-11-04
公開日2004-01-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of human purine nucleoside phosphorylase complexed with inosine and ddI
Biochem.Biophys.Res.Commun., 313, 2004
2FME
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BU of 2fme by Molmil
Crystal structure of the mitotic kinesin eg5 (ksp) in complex with mg-adp and (r)-4-(3-hydroxyphenyl)-n,n,7,8-tetramethyl-3,4-dihydroisoquinoline-2(1h)-carboxamide
分子名称: (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
著者Sheriff, S.
登録日2006-01-09
公開日2006-04-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibitors of human mitotic kinesin Eg5: Characterization of the 4-phenyl-tetrahydroisoquinoline lead series
Bioorg.Med.Chem.Lett., 16, 2006
3BNY
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BU of 3bny by Molmil
Crystal structure of aristolochene synthase complexed with 2-fluorofarnesyl diphosphate (2F-FPP)
分子名称: (2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Aristolochene synthase, BETA-MERCAPTOETHANOL, ...
著者Shishova, E.Y, Christianson, D.W.
登録日2007-12-14
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献X-ray Crystallographic Studies of Substrate Binding to Aristolochene Synthase Suggest a Metal Ion Binding Sequence for Catalysis
J.Biol.Chem., 283, 2008
5HD2
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BU of 5hd2 by Molmil
The crystal structure of SeMet-Cry51Aa2-L11M
分子名称: Parasporal crystal protein
著者Rydel, T.J, Sturman, E.J, Moshiri, F.
登録日2016-01-04
公開日2016-07-20
最終更新日2016-08-03
実験手法X-RAY DIFFRACTION (2.276 Å)
主引用文献A transgenic approach for controlling Lygus in cotton.
Nat Commun, 7, 2016
3BSM
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BU of 3bsm by Molmil
Crystal structure of D-mannonate dehydratase from Chromohalobacter salexigens
分子名称: Mandelate racemase/muconate lactonizing enzyme
著者Fedorov, A.A, Fedorov, E.V, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-12-25
公開日2008-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of D-mannonate dehydratase from Chromohalobacter salexigens.
To be Published
5HNE
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BU of 5hne by Molmil
X-RAY CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A 2-ARYL BENZIMIDAZOLE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR
分子名称: 1,2-ETHANEDIOL, 1-[(1R,3S)-3-{[(5-bromothiophen-2-yl)carbonyl]amino}cyclohexyl]-N-methyl-2-(pyridin-2-yl)-1H-benzimidazole-5-carboxamide, Branched-chain-amino-acid aminotransferase, ...
著者Somers, D.O.
登録日2016-01-18
公開日2016-05-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Discovery and Optimization of Potent, Selective, and in Vivo Efficacious 2-Aryl Benzimidazole BCATm Inhibitors.
Acs Med.Chem.Lett., 7, 2016
3BV2
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BU of 3bv2 by Molmil
Morpholino pyrrolotriazine P38 Alpha map kinase inhibitor compound 30
分子名称: 5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-N-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2008-01-04
公開日2008-04-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3BWN
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BU of 3bwn by Molmil
L-tryptophan aminotransferase
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, L-tryptophan aminotransferase, PHENYLALANINE, ...
著者Ferrer, J.-L, Noel, J.P, Pojer, F, Bowman, M, Chory, J, Tao, Y.
登録日2008-01-10
公開日2008-04-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Rapid synthesis of auxin via a new tryptophan-dependent pathway is required for shade avoidance in plants
Cell(Cambridge,Mass.), 133, 2008
2FW8
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BU of 2fw8 by Molmil
Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) H89G from the acidophilic bacterium Acetobacter aceti, at pH 8
分子名称: N5-carboxyaminoimidazole ribonucleotide mutase
著者Starks, C.M, Kappock, T.J.
登録日2006-02-01
公開日2006-06-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Biochemical and Structural Studies of N(5)-Carboxyaminoimidazole Ribonucleotide Mutase from the Acidophilic Bacterium Acetobacter aceti.
Biochemistry, 45, 2006
2FW1
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BU of 2fw1 by Molmil
Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) from the acidophilic bacterium Acetobacter aceti, at pH 8.5
分子名称: ACETIC ACID, N5-carboxyaminoimidazole ribonucleotide mutase
著者Starks, C.M, Kappock, T.J.
登録日2006-01-31
公開日2006-06-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biochemical and Structural Studies of N(5)-Carboxyaminoimidazole Ribonucleotide Mutase from the Acidophilic Bacterium Acetobacter aceti.
Biochemistry, 45, 2006
2FW7
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BU of 2fw7 by Molmil
Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) H59N from the acidophilic bacterium Acetobacter aceti, at pH 8
分子名称: N5-carboxyaminoimidazole ribonucleotide mutase
著者Starks, C.M, Kappock, T.J.
登録日2006-02-01
公開日2006-06-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Biochemical and Structural Studies of N(5)-Carboxyaminoimidazole Ribonucleotide Mutase from the Acidophilic Bacterium Acetobacter aceti.
Biochemistry, 45, 2006
2FWI
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BU of 2fwi by Molmil
Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) H59D, from the acidophilic bacterium Acetobacter aceti, complexed with 5-aminoimidazole ribonucleotide (AIR)
分子名称: 5-AMINOIMIDAZOLE RIBONUCLEOTIDE, N5-carboxyaminoimidazole ribonucleotide mutase
著者Starks, C.M, Kappock, T.J.
登録日2006-02-02
公開日2006-06-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Biochemical and Structural Studies of N(5)-Carboxyaminoimidazole Ribonucleotide Mutase from the Acidophilic Bacterium Acetobacter aceti.
Biochemistry, 45, 2006
5H87
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BU of 5h87 by Molmil
Crystal structure of mRojoA mutant - P63H - W143S
分子名称: mRojoA fluorescent protein
著者Pandelieva, A.T, Tremblay, V, Sarvan, S, Chica, R.A, Couture, J.-F.
登録日2015-12-23
公開日2016-01-27
最終更新日2016-03-02
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Brighter Red Fluorescent Proteins by Rational Design of Triple-Decker Motif.
Acs Chem.Biol., 11, 2016
2G3D
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BU of 2g3d by Molmil
Structure of S65G Y66A GFP variant after spontaneous peptide hydrolysis
分子名称: Green fluorescent protein, MAGNESIUM ION
著者Barondeau, D.P.
登録日2006-02-17
公開日2006-04-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Understanding GFP Posttranslational Chemistry: Structures of Designed Variants that Achieve Backbone Fragmentation, Hydrolysis, and Decarboxylation.
J.Am.Chem.Soc., 128, 2006

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