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3VL2
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3-isopropylmalate dehydrogenase from Shewanella oneidensis MR-1 at 160 MPa
分子名称: 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, CALCIUM ION, ...
著者Nagae, T, Watanabe, N.
登録日2011-11-29
公開日2012-02-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献High-pressure-induced water penetration into 3-isopropylmalate dehydrogenase
Acta Crystallogr.,Sect.D, 68, 2012
3R7Q
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BU of 3r7q by Molmil
Structure-based design of thienobenzoxepin inhibitors of PI3- kinase
分子名称: N-(2-chlorophenyl)-N-methyl-4H-thieno[3,2-c]chromene-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 (2.5 Å)
主引用文献Structure-based design of thienobenzoxepin inhibitors of PI3-kinase.
Bioorg.Med.Chem.Lett., 21, 2011
3FKW
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BU of 3fkw by Molmil
AmpC K67R mutant apo structure
分子名称: Beta-lactamase, PHOSPHATE ION, POTASSIUM ION
著者Chen, Y, McReynolds, A, Shoichet, B.K.
登録日2008-12-17
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Re-examining the role of Lys67 in class C beta-lactamase catalysis.
Protein Sci., 18, 2009
3RC8
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BU of 3rc8 by Molmil
Human Mitochondrial Helicase Suv3 in Complex with Short RNA Fragment
分子名称: ATP-dependent RNA helicase SUPV3L1, mitochondrial, RNA fragment
著者Dauter, Z, Jedrzejczak, R, Dauter, M, Wang, J, Szczesny, R, Stepien, P.
登録日2011-03-30
公開日2011-05-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Human Suv3 protein reveals unique features among SF2 helicases.
Acta Crystallogr.,Sect.D, 67, 2011
3FPX
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BU of 3fpx by Molmil
Native fungus laccase from Trametes hirsuta
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, COPPER (II) ION, ...
著者Polyakov, K.M, Fedorova, T.V, Stepanova, E.V, Cherkashin, E.A, Kurzeev, S.A, Strokopytov, B.V, Lamzin, V.S, Koroleva, O.V.
登録日2009-01-06
公開日2009-01-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of native laccase from Coriolus hirsutus at 1.8 A resolution
To be Published
2PRS
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BU of 2prs by Molmil
Structure and metal binding properties of ZnuA, a periplasmic zinc transporter from Escherichia coli
分子名称: High-affinity zinc uptake system protein znuA, ISOPROPYL ALCOHOL, ZINC ION
著者Yatsunyk, L.A, Kim, L.R, Vorontsov, I.I, Rosenzweig, A.C.
登録日2007-05-04
公開日2007-06-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and metal binding properties of ZnuA, a periplasmic zinc transporter from Escherichia coli.
J.Biol.Inorg.Chem., 13, 2008
3FN9
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BU of 3fn9 by Molmil
Crystal structure of putative beta-galactosidase from bacteroides fragilis
分子名称: CHLORIDE ION, Putative beta-galactosidase
著者Ramagopal, U.A, Toro, R, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-12-23
公開日2009-01-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of putative beta-galactosidase from bacteroides fragilis
To be published
3VAH
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BU of 3vah by Molmil
Structure of U2AF65 variant with BrU3C4 DNA
分子名称: 1,4-DIETHYLENE DIOXIDE, DNA 5'-D(P*UP*UP*(BRU)P*CP*UP*UP*U)-3', GLYCEROL, ...
著者Jenkins, J.L, Kielkopf, C.L.
登録日2011-12-29
公開日2013-02-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献U2AF65 adapts to diverse pre-mRNA splice sites through conformational selection of specific and promiscuous RNA recognition motifs.
Nucleic Acids Res., 41, 2013
3EWB
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BU of 3ewb by Molmil
Crystal structure of N-terminal domain of putative 2-isopropylmalate synthase from Listeria monocytogenes
分子名称: 2-isopropylmalate synthase
著者Ramagopal, U.A, Toro, R, Gilmore, M, Hu, S, Maletic, M, Rodgers, L, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-10-14
公開日2008-12-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of N-terminal domain of putative 2-isopropylmalate synthase from Listeria monocytogenes.
To be Published
3VL3
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BU of 3vl3 by Molmil
3-isopropylmalate dehydrogenase from Shewanella oneidensis MR-1 at 340 MPa
分子名称: 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, CALCIUM ION, ...
著者Nagae, T, Watanabe, N.
登録日2011-11-29
公開日2012-02-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High-pressure-induced water penetration into 3-isopropylmalate dehydrogenase
Acta Crystallogr.,Sect.D, 68, 2012
3EXE
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BU of 3exe by Molmil
Crystal structure of the pyruvate dehydrogenase (E1p) component of human pyruvate dehydrogenase complex
分子名称: GLYCEROL, MANGANESE (II) ION, POTASSIUM ION, ...
著者Kato, M, Wynn, R.M, Chuang, J.L, Tso, S.-C, Machius, M, Li, J, Chuang, D.T.
登録日2008-10-16
公開日2008-11-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.979 Å)
主引用文献Structural basis for inactivation of the human pyruvate dehydrogenase complex by phosphorylation: role of disordered phosphorylation loops.
Structure, 16, 2008
2PU7
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BU of 2pu7 by Molmil
Crystal Structure of S112A/H265A double mutant of a C-C hydrolase, BphD, from Burkholderia xenovorans LB400
分子名称: 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONATE ION, SODIUM ION
著者Bhowmik, S, Bolin, J.T.
登録日2007-05-08
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The Tautomeric Half-reaction of BphD, a C-C Bond Hydrolase: KINETIC AND STRUCTURAL EVIDENCE SUPPORTING A KEY ROLE FOR HISTIDINE 265 OF THE CATALYTIC TRIAD.
J.Biol.Chem., 282, 2007
2PRM
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BU of 2prm by Molmil
The structures of apo- and inhibitor bound human dihydroorotate dehydrogenase reveal conformational flexibility within the inhibitor binding site
分子名称: Dihydroorotate dehydrogenase, mitochondrial, FLAVIN MONONUCLEOTIDE, ...
著者Walse, B, Dufe, V.T, Al-Karadaghi, S.
登録日2007-05-04
公開日2008-05-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The structures of human dihydroorotate dehydrogenase with and without inhibitor reveal conformational flexibility in the inhibitor and substrate binding sites
Biochemistry, 47, 2008
3F0I
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BU of 3f0i by Molmil
Arsenate reductase from Vibrio cholerae.
分子名称: Arsenate reductase, MALONATE ION, SODIUM ION
著者Osipiuk, J, Gu, M, Stam, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2008-10-24
公開日2008-11-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献X-ray crystal structure of Arsenate reductase from Vibrio cholerae.
To be Published
3VEU
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BU of 3veu by Molmil
Crystal Structure of Human Beta Secretase in Complex with NVP-AVI326
分子名称: (2S)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(propan-2-yl)benzyl]amino}butan-2-yl]-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]non-7-yl]propanamide, Beta-secretase 1
著者Rondeau, J.M, Bourgier, E.
登録日2012-01-09
公開日2012-11-21
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
2PRY
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BU of 2pry by Molmil
Apo form of S. cerevisiae orotate phosphoribosyltransferase
分子名称: MAGNESIUM ION, Orotate phosphoribosyltransferase 1
著者Gonzalez-Segura, L, Hurley, T.D, McClard, R.W.
登録日2007-05-04
公開日2008-01-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Ternary complex formation and induced asymmetry in orotate phosphoribosyltransferase.
Biochemistry, 46, 2007
3EYP
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BU of 3eyp by Molmil
Crystal structure of putative alpha-L-fucosidase from Bacteroides thetaiotaomicron
分子名称: GLYCEROL, Putative alpha-L-fucosidase
著者Bonanno, J.B, Freeman, J, Bain, K.T, Hu, S, Romero, R, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-10-21
公開日2008-11-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of putative alpha-L-fucosidase from Bacteroides thetaiotaomicron
To be Published
3VF4
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BU of 3vf4 by Molmil
Crystal structure of the O-carbamoyltransferase TobZ S530A variant in complex with carbamoyl phosphate and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, FE (II) ION, O-carbamoyltransferase TobZ, ...
著者Parthier, C, Stubbs, M.T, Goerlich, S, Jaenecke, F.
登録日2012-01-09
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The O-Carbamoyltransferase TobZ Catalyzes an Ancient Enzymatic Reaction.
Angew.Chem.Int.Ed.Engl., 51, 2012
3F03
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BU of 3f03 by Molmil
Crystal structure of Pentaerythritol Tetranitrate Reductase complex with 1-nitrocyclohexene
分子名称: 1-nitrocyclohexene, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
著者Roujeinikova, A.R, Toogood, H.S, Leys, D.
登録日2008-10-24
公開日2008-12-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Structure-based insight into the asymmetric bioreduction of the C=C double bond of alpha,beta-unsaturated nitroalkenes by pentaerythritol tetranitrate reductase.
To be published
3F49
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Anion-triggered Engineered Subtilisin SUBT_BACAM
分子名称: SODIUM ION, Subtilisin BPN
著者Gallagher, D.T, Bryan, P.N.
登録日2008-10-31
公開日2008-12-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Anion-triggered Engineered Subtilisin SUBT_BACAM
To be Published
2PZE
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BU of 2pze by Molmil
Minimal human CFTR first nucleotide binding domain as a head-to-tail dimer
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
著者Atwell, S, Conners, K, Emtage, S, Gheyi, T, Glenn, N.R, Hendle, J, Lewis, H.A, Lu, F, Rodgers, L.A, Romero, R, Sauder, J.M, Smith, D, Tien, H, Wasserman, S.R, Zhao, X.
登録日2007-05-17
公開日2007-10-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of a minimal human CFTR first nucleotide-binding domain as a monomer, head-to-tail homodimer, and pathogenic mutant.
Protein Eng.Des.Sel., 23, 2010
2PVL
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Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2
分子名称: 2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE, Casein kinase II subunit alpha
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 (1.9 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
2Q0F
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Terminal uridylyl transferase 4 from Trypanosoma brucei with bound UTP and UMP
分子名称: MAGNESIUM ION, RNA uridylyl transferase, URIDINE 5'-TRIPHOSPHATE, ...
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 (2.4 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
3F47
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The Crystal Structure of [Fe]-Hydrogenase (Hmd) Holoenzyme from Methanocaldococcus jannaschii
分子名称: 5'-O-[(S)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosine, 5,10-methenyltetrahydromethanopterin hydrogenase, CARBON MONOXIDE, ...
著者Hiromoto, T, Pilak, O, Warkentin, E, Thauer, R.K, Shima, S, Ermler, U.
登録日2008-10-31
公開日2009-02-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The crystal structure of C176A mutated [Fe]-hydrogenase suggests an acyl-iron ligation in the active site iron complex.
Febs Lett., 583, 2009
3RP6
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Crystal Structure of Klebsiella pneumoniae HpxO complexed with FAD
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, flavoprotein monooxygenase
著者Hicks, K.A, O'Leary, S.E, Begley, T.P, Ealick, S.E.
登録日2011-04-26
公開日2012-05-16
最終更新日2013-02-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and Mechanistic Studies of HpxO, a Novel Flavin Adenine Dinucleotide-Dependent Urate Oxidase from Klebsiella pneumoniae.
Biochemistry, 52, 2013

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