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5EXN
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BU of 5exn by Molmil
FACTOR XIA (C500S [C122S]) IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate
著者Sheriff, S.
登録日2015-11-23
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016
5EXL
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BU of 5exl by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-(aminomethyl)-~{N}-[(1~{S})-1-[4-(3-oxidanyl-1~{H}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide
分子名称: 1,2-ETHANEDIOL, 4-(aminomethyl)-~{N}-[(1~{S})-1-[4-(3-oxidanyl-1~{H}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide, Coagulation factor XIa light chain, ...
著者Wei, A.
登録日2015-11-23
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016
4YG4
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BU of 4yg4 by Molmil
HipB-O1-O1* complex
分子名称: Antitoxin HipB, DNA (28-MER), DNA (5'-D(*AP*TP*AP*TP*CP*CP*CP*CP*TP*TP*AP*AP*GP*GP*GP*GP*AP*TP*AP*A)-3')
著者Schumacher, M.A.
登録日2015-02-25
公開日2015-07-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献HipBA-promoter structures reveal the basis of heritable multidrug tolerance.
Nature, 524, 2015
4YG7
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Structure of FL autorepression promoter complex
分子名称: Antitoxin HipB, DNA (50-MER), Serine/threonine-protein kinase HipA
著者Schumacher, M.A.
登録日2015-02-25
公開日2015-07-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.77 Å)
主引用文献HipBA-promoter structures reveal the basis of heritable multidrug tolerance.
Nature, 524, 2015
5EXM
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[2-[(1~{S})-1-[[4-(aminomethyl)cyclohexyl]carbonylamino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XIa light chain, SULFATE ION, ...
著者Wei, A.
登録日2015-11-23
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016
4Z39
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BU of 4z39 by Molmil
Structure of OBP3 from the vetch aphid Megoura viciae
分子名称: GLYCEROL, Odorant-binding protein, SULFATE ION
著者Northey, T, Venthur, H, De Biasio, F, Chauviac, F.-X, Cole, A.R, Field, L.M, Zhou, J.-J, Keep, N.H.
登録日2015-03-31
公開日2016-04-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structures and Binding Dynamics of Odorant-Binding Protein 3 from two aphid species Megoura viciae and Nasonovia ribisnigri.
Sci Rep, 6, 2016
4Z79
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BU of 4z79 by Molmil
Leiomodin-1 Actin-Binding Site 2 (ABS2)
分子名称: CHLORIDE ION, GLYCEROL, Leiomodin-1 Actin-Binding Site 2 (ABS2), ...
著者Rebowski, G, Boczkowska, M, Dominguez, R.
登録日2015-04-06
公開日2015-10-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献How Leiomodin and Tropomodulin use a common fold for different actin assembly functions.
Nat Commun, 6, 2015
4Z94
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Actin Complex With a Chimera of Tropomodulin-1 and Leiomodin-1 Actin-Binding Site 2
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Rebowski, G, Boczkowska, M, Dominguez, R.
登録日2015-04-09
公開日2015-10-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献How Leiomodin and Tropomodulin use a common fold for different actin assembly functions.
Nat Commun, 6, 2015
5BTQ
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BU of 5btq by Molmil
Crystal structure of human heme oxygenase 1 H25R with biliverdin bound
分子名称: BILIVERDINE IX ALPHA, Heme oxygenase 1, SULFATE ION
著者Caaveiro, J.M.M, Morante, K, Sigala, P, Tsumoto, K.
登録日2015-06-03
公開日2016-06-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献In-Cell Enzymology To Probe His-Heme Ligation in Heme Oxygenase Catalysis
Biochemistry, 55, 2016
5C97
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Insulin regulated aminopeptidase
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, Leucyl-cystinyl aminopeptidase, ...
著者Mpakali, A, Saridakis, E, Harlos, K, Zhao, Y, Stratikos, E.
登録日2015-06-26
公開日2015-08-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.37 Å)
主引用文献Crystal Structure of Insulin-Regulated Aminopeptidase with Bound Substrate Analogue Provides Insight on Antigenic Epitope Precursor Recognition and Processing.
J Immunol., 195, 2015
3IHG
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BU of 3ihg by Molmil
Crystal structure of a ternary complex of aklavinone-11 hydroxylase with FAD and aklavinone
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, RdmE, SULFATE ION, ...
著者Lindqvist, Y, Koskiniemi, H, Jansson, A, Sandalova, T, Schneider, G.
登録日2009-07-30
公開日2009-09-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structural basis for substrate recognition and specificity in aklavinone-11-hydroxylase from rhodomycin biosynthesis.
J.Mol.Biol., 393, 2009
1KBQ
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BU of 1kbq by Molmil
Complex of Human NAD(P)H quinone Oxidoreductase with 5-methoxy-1,2-dimethyl-3-(4-nitrophenoxymethyl)indole-4,7-dione (ES936)
分子名称: 5-METHOXY-1,2-DIMETHYL-3-(4-NITROPHENOXYMETHYL)INDOLE-4,7-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
著者Faig, M, Bianchet, M.A, Amzel, L.M.
登録日2001-11-06
公開日2002-01-16
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Characterization of a mechanism-based inhibitor of NAD(P)H:quinone oxidoreductase 1 by biochemical, X-ray crystallographic, and mass spectrometric approaches.
Biochemistry, 40, 2001
3FGH
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BU of 3fgh by Molmil
Human mitochondrial transcription factor A box B
分子名称: CADMIUM ION, CHLORIDE ION, SODIUM ION, ...
著者Gangelhoff, T.A, Mungalachetty, P, Nix, J, Churchill, M.E.A.
登録日2008-12-06
公開日2009-04-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural analysis and DNA binding of the HMG domains of the human mitochondrial transcription factor A
Nucleic Acids Res., 37, 2009
4MG5
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BU of 4mg5 by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with chlordecone
分子名称: Estrogen receptor, GLYCEROL, Nuclear receptor coactivator 1, ...
著者Delfosse, V, Grimaldi, M, Bourguet, W.
登録日2013-08-28
公開日2014-09-03
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural and functional profiling of environmental ligands for estrogen receptors.
Environ.Health Perspect., 122, 2014
1BHW
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BU of 1bhw by Molmil
LOW TEMPERATURE MIDDLE RESOLUTION STRUCTURE OF XYLOSE ISOMERASE FROM MASC DATA
分子名称: XYLOSE ISOMERASE
著者Ramin, M, Shepard, W, Fourme, R, Kahn, R.
登録日1998-06-10
公開日1998-11-04
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (4.1 Å)
主引用文献Multiwavelength anomalous solvent contrast (MASC): derivation of envelope structure-factor amplitudes and comparison with model values.
Acta Crystallogr.,Sect.D, 55, 1999
4KBK
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BU of 4kbk by Molmil
CK1d in complex with (3S)-3-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}morpholine inhibitor
分子名称: (3S)-3-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}morpholine, Casein kinase I isoform delta, SULFATE ION
著者Liu, S.
登録日2013-04-23
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ligand-protein interactions of selective casein kinase 1 delta inhibitors.
J.Med.Chem., 56, 2013
4KBC
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BU of 4kbc by Molmil
CK1d in complex with {4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDIN-2-YL}METHANOL inhibitor
分子名称: 1,2-ETHANEDIOL, Casein kinase I isoform delta, SULFATE ION, ...
著者Liu, S.
登録日2013-04-23
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Ligand-protein interactions of selective casein kinase 1 delta inhibitors.
J.Med.Chem., 56, 2013
4KB8
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CK1d in complex with 1-{4-[3-(4-FLUOROPHENYL)-1-METHYL-1H-PYRAZOL-4-YL]PYRIDIN-2-YL}-N-METHYLMETHANAMINE ligand
分子名称: 1-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}-N-methylmethanamine, Casein kinase I isoform delta, N-benzyl-4-(pyridin-3-yl)pyrimidin-2-amine, ...
著者Liu, S.
登録日2013-04-23
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Ligand-protein interactions of selective casein kinase 1 delta inhibitors.
J.Med.Chem., 56, 2013
5TKS
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE
分子名称: ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE, 1,2-ETHANEDIOL, Coagulation factor XI, ...
著者Sheriff, S.
登録日2016-10-07
公開日2017-03-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker.
J. Med. Chem., 60, 2017
5TKU
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE
分子名称: 1,2-ETHANEDIOL, Factor XIa (Light Chain), METHYL ((15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]N ONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE, ...
著者Sheriff, S.
登録日2016-10-07
公開日2017-03-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker.
J. Med. Chem., 60, 2017
4MGB
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BU of 4mgb by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with TCBPA
分子名称: 4,4'-propane-2,2-diylbis(2,6-dichlorophenol), Estrogen receptor, GLYCEROL, ...
著者Delfosse, V, Grimaldi, M, Bourguet, W.
登録日2013-08-28
公開日2014-09-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and functional profiling of environmental ligands for estrogen receptors.
Environ.Health Perspect., 122, 2014
4JBS
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BU of 4jbs by Molmil
Crystal structure of the human Endoplasmic Reticulum Aminopeptidase 2 in complex with PHOSPHINIC PSEUDOTRIPEPTIDE inhibitor.
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, Endoplasmic reticulum aminopeptidase 2, ...
著者Saridakis, E, Birtley, J, Stratikos, E, Mavridis, I.M.
登録日2013-02-20
公開日2013-12-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.789 Å)
主引用文献Rationally designed inhibitor targeting antigen-trimming aminopeptidases enhances antigen presentation and cytotoxic T-cell responses.
Proc.Natl.Acad.Sci.USA, 110, 2013
4MG8
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BU of 4mg8 by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with alpha-zearalanol
分子名称: 1,2-ETHANEDIOL, Estrogen receptor, GLYCEROL, ...
著者Delfosse, V, Grimaldi, M, Bourguet, W.
登録日2013-08-28
公開日2014-09-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and functional profiling of environmental ligands for estrogen receptors.
Environ.Health Perspect., 122, 2014
5TKT
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BU of 5tkt by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,12,16(19)-HEXAEN-5-YL)CARBAMATE
分子名称: 1,2-ETHANEDIOL, Factor XIa (Light Chain), METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2, ...
著者Sheriff, S.
登録日2016-10-07
公開日2017-03-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker.
J. Med. Chem., 60, 2017
1HQZ
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Cofilin homology domain of a yeast actin-binding protein ABP1P
分子名称: ACTIN-BINDING PROTEIN
著者Strokopytov, B.V, Fedorov, A.A, Mahoney, N, Drubin, D.G, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2000-12-20
公開日2001-12-21
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Phased translation function revisited: structure solution of the cofilin-homology domain from yeast actin-binding protein 1 using six-dimensional searches.
Acta Crystallogr.,Sect.D, 61, 2005

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