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3DC2
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BU of 3dc2 by Molmil
Crystal structure of serine bound D-3-phosphoglycerate dehydrogenase from Mycobacterium tuberculosis
分子名称: D-3-phosphoglycerate dehydrogenase, L(+)-TARTARIC ACID, SERINE
著者Dey, S, Sacchettini, J.C.
登録日2008-06-03
公開日2008-07-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural analysis of substrate and effector binding in Mycobacterium tuberculosis D-3-phosphoglycerate dehydrogenase
Biochemistry, 47, 2008
2ZLF
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BU of 2zlf by Molmil
The Structural Basis for Peptidomimetic Inhibition of Eukaryotic Ribonucleotide Reductase
分子名称: FTLDADF, Ribonucleoside-diphosphate reductase large chain 1
著者Xu, H, Fairman, J.W, Wijerathna, S.R, LaMacchia, J, Kreischer, N.R, Helmbrecht, E, Cooperman, B.S, Dealwis, C.
登録日2008-04-09
公開日2008-08-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献The Structural Basis for Peptidomimetic Inhibition of Eukaryotic Ribonucleotide Reductase: A Conformationally Flexible Pharmacophore
J.Med.Chem., 51, 2008
3DCT
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BU of 3dct by Molmil
FXR with SRC1 and GW4064
分子名称: 3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1
著者Williams, S.P, Madauss, K.P.
登録日2008-06-04
公開日2008-08-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064.
Bioorg.Med.Chem.Lett., 18, 2008
2ZCY
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BU of 2zcy by Molmil
yeast 20S proteasome:syringolin A-complex
分子名称: (2S)-2-[[(2S)-1-[[(5S,8S,9E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-3-methyl-1-oxo-butan-2-yl]carbamoylamino]-3-methyl-butanoic acid, Proteasome component C1, Proteasome component C11, ...
著者Groll, M, Dudler, R, Kaiser, M.
登録日2007-11-15
公開日2008-04-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A plant pathogen virulence factor inhibits the eukaryotic proteasome by a novel mechanism
Nature, 452, 2008
3DAR
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BU of 3dar by Molmil
Crystal structure of D2 domain from human FGFR2
分子名称: Fibroblast growth factor receptor 2
著者Brown, A, Blundell, T.L.
登録日2008-05-30
公開日2008-06-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the FGFR2 D2 domain
To be Published
4J50
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BU of 4j50 by Molmil
Crystal Structure of an Expanded RNA CAG Repeat
分子名称: PHOSPHATE ION, RNA (5'-R(*UP*UP*GP*GP*GP*CP*CP*AP*GP*CP*AP*GP*CP*AP*GP*GP*UP*CP*C)-3')
著者Park, H, Disney, M.D.
登録日2013-02-07
公開日2013-02-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A dynamic structural model of expanded RNA CAG repeats: a refined X-ray structure and computational investigations using molecular dynamics and umbrella sampling simulations.
J.Am.Chem.Soc., 135, 2013
3DDN
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BU of 3ddn by Molmil
Crystal structure of hydroxypyruvic acid phosphate bound D-3-phosphoglycerate dehydrogenase in mycobacterium tuberculosis
分子名称: 2-oxo-3-(phosphonooxy)propanoic acid, D-3-phosphoglycerate dehydrogenase, L(+)-TARTARIC ACID
著者Dey, S, Sacchettini, J.C.
登録日2008-06-05
公開日2008-07-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural analysis of substrate and effector binding in Mycobacterium tuberculosis D-3-phosphoglycerate dehydrogenase
Biochemistry, 47, 2008
5D4E
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BU of 5d4e by Molmil
Crystal structure of Thermus thermophilus product complex for transcription initiation with 3'-dephosphate-CoA and CTP
分子名称: CYTIDINE-5'-MONOPHOSPHATE, DEPHOSPHO COENZYME A, DIPHOSPHATE, ...
著者Zhang, Y, Ebright, R.H.
登録日2015-08-07
公開日2016-07-06
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献The mechanism of RNA 5' capping with NAD(+), NADH and desphospho-CoA.
Nature, 535, 2016
4FZC
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BU of 4fzc by Molmil
20S yeast proteasome in complex with cepafungin I
分子名称: Cepafungin I, Proteasome component C1, Proteasome component C11, ...
著者Stein, M, Beck, P, Kaiser, M, Dudler, R, Becker, C.F.W, Groll, M.
登録日2012-07-06
公開日2012-10-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献One-shot NMR analysis of microbial secretions identifies highly potent proteasome inhibitor.
Proc.Natl.Acad.Sci.USA, 109, 2012
5DGT
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BU of 5dgt by Molmil
BENZOYLFORMATE DECARBOXYLASE H70A MUTANT at pH 8.5 FROM PSEUDOMONAS PUTIDA
分子名称: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
著者Bera, A.K, Hasson, M.S.
登録日2015-08-28
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.081 Å)
主引用文献BENZOYLFORMATE DECARBOXYLASE H70A MUTANT at pH 8.5 FROM PSEUDOMONAS PUTIDA
to be published
5D9G
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BU of 5d9g by Molmil
Crystal structure of TIPRL, TOR signaling pathway regulator-like, in complex with peptide
分子名称: CHLORIDE ION, NICKEL (II) ION, PHOSPHATE ION, ...
著者Scorsato, V, Sandy, J, Brandao-Neto, J, Pereira, H.M, Smetana, J.H.C, Aparicio, R.
登録日2015-08-18
公開日2016-08-10
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of the human Tip41 orthologue, TIPRL, reveals a novel fold and a binding site for the PP2Ac C-terminus.
Sci Rep, 6, 2016
5US9
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BU of 5us9 by Molmil
Human bocavirus 4
分子名称: Capsid protein VP2
著者Mietzsch, M, Agbandje-McKenna, M.
登録日2017-02-13
公開日2017-03-29
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural Insights into Human Bocaparvoviruses.
J. Virol., 91, 2017
4KF0
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BU of 4kf0 by Molmil
Structure of the A82F P450 BM3 heme domain
分子名称: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
著者Leys, D.
登録日2013-04-26
公開日2013-07-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Key Mutations Alter the Cytochrome P450 BM3 Conformational Landscape and Remove Inherent Substrate Bias.
J.Biol.Chem., 288, 2013
3DCU
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BU of 3dcu by Molmil
FXR with SRC1 and GSK8062
分子名称: 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-1-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1
著者Williams, S.P, Madauss, K.P.
登録日2008-06-04
公開日2008-08-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064.
Bioorg.Med.Chem.Lett., 18, 2008
4KIW
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BU of 4kiw by Molmil
Design and structural analysis of aromatic inhibitors of type II dehydroquinate dehydratase from Mycobacterium tuberculosis - compound 49e [5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid]
分子名称: 3-dehydroquinate dehydratase, 5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid
著者Dias, M.V.B, Howard, N.G, Blundell, T.L, Abell, C.
登録日2013-05-02
公開日2014-05-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase from Mycobacterium tuberculosis.
Chemmedchem, 10, 2015
4GGF
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BU of 4ggf by Molmil
Crystal structure of Mn2+ bound calprotectin
分子名称: CALCIUM ION, GLYCEROL, MANGANESE (II) ION, ...
著者Damo, S.M, Fritz, G.
登録日2012-08-06
公開日2013-02-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular basis for manganese sequestration by calprotectin and roles in the innate immune response to invading bacterial pathogens.
Proc.Natl.Acad.Sci.USA, 110, 2013
4KPE
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BU of 4kpe by Molmil
Novel fluoroquinolones in complex with topoisomerase IV from S. pneumoniae and E-site G-gate
分子名称: (7aR,8R)-8-amino-4-cyclopropyl-12-fluoro-1-oxo-4,7,7a,8,9,10-hexahydro-1H-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylic acid, DNA topoisomerase 4 subunit A, DNA topoisomerase 4 subunit B, ...
著者Laponogov, I, Pan, X.-S, Vesekov, D.A, Cirz, R.T, Wagman, A.S, Moser, H.E, Fisher, L.M, Sanderson, M.R.
登録日2013-05-13
公開日2014-11-26
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (3.43 Å)
主引用文献Exploring the active site of the Streptococcus pneumoniae topoisomerase IV-DNA cleavage complex with novel 7,8-bridged fluoroquinolones.
Open Biol, 6, 2016
2XFF
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BU of 2xff by Molmil
Crystal structure of Barley Beta-Amylase complexed with acarbose
分子名称: 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, BETA-AMYLASE
著者Rejzek, M, Stevenson, C.E.M, Southard, A.M, Stanley, D, Denyer, K, Smith, A.M, Naldrett, M.J, Lawson, D.M, Field, R.A.
登録日2010-05-28
公開日2010-12-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.309 Å)
主引用文献Chemical Genetics and Cereal Starch Metabolism: Structural Basis of the Non-Covalent and Covalent Inhibition of Barley Beta-Amylase.
Mol.Biosyst., 7, 2011
4Z3U
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BU of 4z3u by Molmil
PRV nuclear egress complex
分子名称: CHLORIDE ION, SODIUM ION, UL31, ...
著者Bigalke, J.M, Heldwein, E.E.
登録日2015-03-31
公開日2015-11-11
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (2.706 Å)
主引用文献Structural basis of membrane budding by the nuclear egress complex of herpesviruses.
Embo J., 34, 2015
3DAU
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BU of 3dau by Molmil
Crystal structure of the ternary MTX NADPH complex of Escherichia coli dihydrofolate reductase
分子名称: Dihydrofolate reductase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Bennett, B.C, Dealwis, C.G.
登録日2008-05-30
公開日2009-04-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献X-ray structure of the ternary MTX.NADPH complex of the anthrax dihydrofolate reductase: a pharmacophore for dual-site inhibitor design.
J.Struct.Biol., 166, 2009
5TAQ
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BU of 5taq by Molmil
Structure of rabbit RyR1 (Caffeine/ATP/Ca2+ dataset, class 3&4)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
著者Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
登録日2016-09-10
公開日2016-10-12
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
5CZA
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BU of 5cza by Molmil
Yeast 20S proteasome beta5-D166N mutant
分子名称: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
著者Huber, E.M, Groll, M.
登録日2015-07-31
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
5SVC
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BU of 5svc by Molmil
Mechanism of ATP-Dependent Acetone Carboxylation, Acetone Carboxylase nucleotide-free structure
分子名称: Acetone carboxylase alpha subunit, Acetone carboxylase beta subunit, Acetone carboxylase gamma subunit, ...
著者Eilers, B.J, Mus, F, Alleman, A.B, Kabasakal, B.V, Murray, J.W, Nocek, B.P, Dubois, J.L, Peters, J.W.
登録日2016-08-05
公開日2017-08-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Basis for the Mechanism of ATP-Dependent Acetone Carboxylation.
Sci Rep, 7, 2017
4ZBL
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BU of 4zbl by Molmil
Phototoxic fluorescent protein mKillerOrange
分子名称: CITRIC ACID, GLYCEROL, KillerOrange
著者Pletnev, V.Z, Pletneva, N.V, Pletnev, S.V.
登録日2015-04-14
公開日2015-12-23
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystal Structure of Phototoxic Orange Fluorescent Proteins with a Tryptophan-Based Chromophore.
Plos One, 10, 2015
5D4C
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BU of 5d4c by Molmil
Crystal structure of Thermus thermophilus product complex for transcription initiation with ATP and CTP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CYTIDINE-5'-MONOPHOSPHATE, CYTIDINE-5'-TRIPHOSPHATE, ...
著者Zhang, Y, Ebright, R.H.
登録日2015-08-07
公開日2016-07-06
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (3.28 Å)
主引用文献The mechanism of RNA 5' capping with NAD(+), NADH and desphospho-CoA.
Nature, 535, 2016

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