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3R3Z
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Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/Glycolate
分子名称: Fluoroacetate dehalogenase, GLYCOLIC ACID, NICKEL (II) ION
著者Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
登録日2011-03-16
公開日2011-05-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
3G9L
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BU of 3g9l by Molmil
JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-styrylindolin-2-one
分子名称: (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10
著者Jacobs, M.D.
登録日2009-02-13
公開日2009-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3R7D
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BU of 3r7d by Molmil
Crystal Structure of Unliganded Aspartate Transcarbamoylase from Bacillus subtilis
分子名称: Aspartate carbamoyltransferase, PHOSPHATE ION
著者Puleo, D.E, Harris, K.M, Cockrell, G.M, Kantrowitz, E.R.
登録日2011-03-22
公開日2011-06-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.196 Å)
主引用文献Crystallographic Snapshots of the Complete Catalytic Cycle of the Unregulated Aspartate Transcarbamoylase from Bacillus subtilis.
J.Mol.Biol., 411, 2011
2PVN
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BU of 2pvn by Molmil
Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2
分子名称: Casein kinase II subunit alpha, N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE
著者Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S.
登録日2007-05-09
公開日2008-05-13
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2.
Bioorg.Med.Chem.Lett., 17, 2007
3R7R
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BU of 3r7r by Molmil
Structure-based design of thienobenzoxepin inhibitors of PI3-Kinase
分子名称: 8-(acetylamino)-N-(2-chlorophenyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Murray, J.M, Wiesmann, C.
登録日2011-03-22
公開日2011-08-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-based design of thienobenzoxepin inhibitors of PI3-kinase.
Bioorg.Med.Chem.Lett., 21, 2011
3R7X
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BU of 3r7x by Molmil
Crystal Structure Analysis of a Quinazolinedione sulfonamide bound to human GluR2: A Novel Class of Competitive AMPA Receptor Antagonists with Oral Activity
分子名称: GLUTAMIC ACID, Glutamate receptor 2, N-[6-(1H-imidazol-1-yl)-7-nitro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methanesulfonamide
著者Kallen, J.
登録日2011-03-23
公開日2011-05-18
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Quinazolinedione sulfonamides: A novel class of competitive AMPA receptor antagonists with oral activity.
Bioorg.Med.Chem.Lett., 21, 2011
2PXE
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BU of 2pxe by Molmil
Variant 4 of Ribonucleoprotein Core of the E. Coli Signal Recognition Particle
分子名称: 4.5 S RNA, COBALT HEXAMMINE(III), Signal recognition particle protein
著者Keel, A.Y, Rambo, R.P, Batey, R.T, Kieft, J.S.
登録日2007-05-14
公開日2007-08-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A General Strategy to Solve the Phase Problem in RNA Crystallography.
Structure, 15, 2007
3FZ1
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BU of 3fz1 by Molmil
Crystal structure of a benzthiophene inhibitor bound to human Cyclin-dependent Kinase-2 (CDK-2)
分子名称: (3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one, Cell division protein kinase 2
著者Kurumbail, R.G, Caspers, N.
登録日2009-01-23
公開日2009-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Benzothiophene inhibitors of MK2. Part 2: improvements in kinase selectivity and cell potency.
Bioorg.Med.Chem.Lett., 19, 2009
3R9G
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BU of 3r9g by Molmil
Crystal structure of Microcin C7 self immunity acetyltransferase MccE in complex with Coenzyme A and processed Microcin C7 antibiotic
分子名称: 5'-O-[(R)-[(N-acetyl-L-alpha-aspartyl)amino](3-aminopropoxy)phosphoryl]adenosine, COENZYME A, MccE protein
著者Nair, S.K, Agarwal, V.
登録日2011-03-25
公開日2011-04-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural Basis for Microcin C7 Inactivation by the MccE Acetyltransferase.
J.Biol.Chem., 286, 2011
2PVH
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BU of 2pvh by Molmil
Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2
分子名称: Casein kinase II subunit alpha, N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE
著者Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S.
登録日2007-05-09
公開日2008-05-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2.
Bioorg.Med.Chem.Lett., 17, 2007
3G1B
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BU of 3g1b by Molmil
The structure of the M53A mutant of Caulobacter crescentus clpS protease adaptor protein in complex with WLFVQRDSKE peptide
分子名称: 10-residue peptide, ATP-dependent Clp protease adapter protein clpS, MAGNESIUM ION
著者Baker, T.A, Roman-Hernandez, G, Sauer, R.T, Grant, R.A.
登録日2009-01-29
公開日2009-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.448 Å)
主引用文献Molecular basis of substrate selection by the N-end rule adaptor protein ClpS.
Proc.Natl.Acad.Sci.USA, 106, 2009
2PXV
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BU of 2pxv by Molmil
Variant 6 of Ribonucleoprotein Core of the E. Coli Signal Recognition Particle
分子名称: 4.5 S RNA, COBALT HEXAMMINE(III), Signal recognition particle protein
著者Keel, A.Y, Rambo, R.P, Batey, R.T, Kieft, J.S.
登録日2007-05-14
公開日2007-08-07
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A General Strategy to Solve the Phase Problem in RNA Crystallography.
Structure, 15, 2007
2PZX
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BU of 2pzx by Molmil
Structure of the methuselah ectodomain with peptide inhibitor
分子名称: G-protein coupled receptor Mth
著者West Jr, A.P, Ja, W.W, Delker, S.L, Bjorkman, P.J, Benzer, S, Roberts, R.W.
登録日2007-05-18
公開日2007-08-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Extension of Drosophila melanogaster life span with a GPCR peptide inhibitor.
Nat.Chem.Biol., 3, 2007
2Q0E
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BU of 2q0e by Molmil
Terminal uridylyl transferase 4 from Trypanosoma brucei with bound GTP
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNA uridylyl transferase
著者Stagno, J, Luecke, H.
登録日2007-05-21
公開日2007-08-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dual role of the RNA substrate in selectivity and catalysis by terminal uridylyl transferases.
Proc.Natl.Acad.Sci.Usa, 104, 2007
3RC6
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BU of 3rc6 by Molmil
Molecular mechanisms of viral and host-cell substrate recognition by HCV NS3/4A protease
分子名称: NS3/4A, ZINC ION
著者Schiffer, C.A, Romano, K.P.
登録日2011-03-30
公開日2011-05-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Molecular mechanisms of viral and host cell substrate recognition by hepatitis C virus NS3/4A protease.
J.Virol., 85, 2011
3GDU
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BU of 3gdu by Molmil
Crystal structure of DegS H198P/D320A mutant modified by DFP and in complex with YRF peptide
分子名称: DegS protease, YRF peptide
著者Sohn, J, Grant, R.A, Sauer, R.T.
登録日2009-02-24
公開日2009-03-31
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献OMP peptides activate the DegS stress-sensor protease by a relief of inhibition mechanism.
Structure, 17, 2009
2Q0D
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BU of 2q0d by Molmil
Terminal uridylyl transferase 4 from Trypanosoma brucei with bound ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNA uridylyl transferase
著者Stagno, J, Luecke, H.
登録日2007-05-21
公開日2007-08-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Dual role of the RNA substrate in selectivity and catalysis by terminal uridylyl transferases.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2Q8G
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BU of 2q8g by Molmil
Structure of pyruvate dehydrogenase kinase isoform 1 in complex with glucose-lowering drug AZD7545
分子名称: 4-[(3-CHLORO-4-{[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]AMINO}PHENYL)SULFONYL]-N,N-DIMETHYLBENZAMIDE, POTASSIUM ION, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 1
著者Kato, M, Li, J, Chuang, J.L, Chuang, D.T.
登録日2007-06-10
公開日2007-07-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Distinct Structural Mechanisms for Inhibition of Pyruvate Dehydrogenase Kinase Isoforms by AZD7545, Dichloroacetate, and Radicicol.
Structure, 15, 2007
3GG2
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BU of 3gg2 by Molmil
Crystal structure of UDP-glucose 6-dehydrogenase from Porphyromonas gingivalis bound to product UDP-glucuronate
分子名称: Sugar dehydrogenase, UDP-glucose/GDP-mannose dehydrogenase family, URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID
著者Bonanno, J.B, Freeman, J, Bain, K.T, Chang, S, Sampathkumar, P, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-02-27
公開日2009-03-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of UDP-glucose 6-dehydrogenase from Porphyromonas gingivalis bound to product UDP-glucuronate
To be Published
3G87
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BU of 3g87 by Molmil
Crystal structure of malonyl CoA-acyl carrier protein transacylase from Burkholderia pseudomallei using dried seaweed as nucleant or protease
分子名称: Malonyl CoA-acyl carrier protein transacylase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-02-11
公開日2009-02-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of malonyl CoA-acyl carrier protein transacylase from Burkholderia pseudomallei using dried seaweed as nucleant or protease
To be Published
2PNW
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BU of 2pnw by Molmil
Crystal structure of membrane-bound lytic murein transglycosylase from Agrobacterium tumefaciens
分子名称: Membrane-bound lytic murein transglycosylase, SULFATE ION
著者Bonanno, J.B, Dickey, M, Bain, K.T, Iizuka, M, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-04-25
公開日2007-05-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of membrane-bound lytic murein transglycosylase from Agrobacterium tumefaciens.
To be Published
3G9N
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BU of 3g9n by Molmil
JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-phenylindolin-2-one
分子名称: (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10
著者Jacobs, M.D.
登録日2009-02-13
公開日2009-02-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3GJB
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CytC3 with Fe(II) and alpha-ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, ACETATE ION, CytC3, ...
著者Wong, C, Drennan, C.L.
登録日2009-03-08
公開日2009-04-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural analysis of an open active site conformation of nonheme iron halogenase CytC3
J.Am.Chem.Soc., 131, 2009
2PQK
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BU of 2pqk by Molmil
X-ray crystal structure of human Mcl-1 in complex with Bim BH3
分子名称: Bim BH3 peptide, Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ...
著者Bare, E, Grant, R.A, Keating, A.E.
登録日2007-05-02
公開日2007-06-19
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes.
Protein Sci., 19, 2010
2Q6J
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BU of 2q6j by Molmil
Crystal Structure of Estrogen Receptor alpha Complexed to a B-N Substituted Ligand
分子名称: 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL, Estrogen receptor, GRIP peptide
著者Zhou, H, Nettles, K.W, Bruning, J.B, Kim, Y, Joachimiak, A, Sharma, S, Carlson, K.E, Stossi, F, Katzenellenbogen, B.S, Greene, G.L, Katzenellenbogen, J.A.
登録日2007-06-05
公開日2007-06-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Elemental isomerism: a boron-nitrogen surrogate for a carbon-carbon double bond increases the chemical diversity of estrogen receptor ligands
Chem.Biol., 14, 2007

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