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3I3L
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BU of 3i3l by Molmil
Crystal structure of CmlS, a flavin-dependent halogenase
分子名称: Alkylhalidase CmlS, FLAVIN-ADENINE DINUCLEOTIDE
著者Podzelinska, K, Soares, A, Jia, Z, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2009-06-30
公開日2010-03-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Chloramphenicol Biosynthesis: The Structure of CmlS, a Flavin-Dependent Halogenase Showing a Covalent Flavin-Aspartate Bond
J.Mol.Biol., 397, 2010
3HUJ
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BU of 3huj by Molmil
Crystal structure of human CD1d-alpha-Galactosylceramide in complex with semi-invariant NKT cell receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, MAGNESIUM ION, ...
著者Pang, S.S.
登録日2009-06-14
公開日2009-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Differential recognition of CD1d-alpha-galactosyl ceramide by the V beta 8.2 and V beta 7 semi-invariant NKT T cell receptors
Immunity, 31, 2009
3INM
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BU of 3inm by Molmil
Crystal structure of human cytosolic NADP(+)-dependent isocitrate dehydrogenase R132H mutant in complex with NADPH, ALPHA-KETOGLUTARATE and CALCIUM(2+)
分子名称: 2-OXOGLUTARIC ACID, CALCIUM ION, GLYCEROL, ...
著者Fontano, E, Brown, R.S, Suto, R.K, Bhyravbhatla, B.
登録日2009-08-12
公開日2009-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Cancer-associated IDH1 mutations produce 2-hydroxyglutarate.
Nature, 462, 2009
3IMX
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BU of 3imx by Molmil
Crystal Structure of human glucokinase in complex with a synthetic activator
分子名称: (2R)-3-cyclopentyl-N-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide, Glucokinase, SODIUM ION, ...
著者Stams, T, Vash, B.
登録日2009-08-11
公開日2009-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes.
J.Med.Chem., 52, 2009
7S8R
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BU of 7s8r by Molmil
Crystal Structure of HLA A*1101 in complex with SALEWIKNK, an 9-mer epitope from Influenza B
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ...
著者Nguyen, A.T, Szeto, C, Gras, S.
登録日2021-09-19
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献HLA-A*11:01-restricted CD8+ T cell immunity against influenza A and influenza B viruses in Indigenous and non-Indigenous people.
Plos Pathog., 18, 2022
7S8S
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BU of 7s8s by Molmil
Crystal Structure of HLA A*1101 in complex with RVLVNGTFLK, an 10-mer epitope from Influenza B
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ...
著者Nguyen, A.T, Szeto, C, Gras, S.
登録日2021-09-19
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献HLA-A*11:01-restricted CD8+ T cell immunity against influenza A and influenza B viruses in Indigenous and non-Indigenous people.
Plos Pathog., 18, 2022
7S8Q
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BU of 7s8q by Molmil
Crystal Structure of HLA A*1101 in complex with KTNGNAFIGK, an 10-mer epitope from Influenza B
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ...
著者Nguyen, A.T, Szeto, C, Gras, S.
登録日2021-09-19
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献HLA-A*11:01-restricted CD8+ T cell immunity against influenza A and influenza B viruses in Indigenous and non-Indigenous people.
Plos Pathog., 18, 2022
1BU5
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BU of 1bu5 by Molmil
X-RAY CRYSTAL STRUCTURE OF THE DESULFOVIBRIO VULGARIS (HILDENBOROUGH) APOFLAVODOXIN-RIBOFLAVIN COMPLEX
分子名称: PROTEIN (FLAVODOXIN), RIBOFLAVIN, SULFATE ION
著者Walsh, M.A, Mccarthy, A, O'Farrell, P.A, Mccardle, P, Cunningham, P.D, Mayhew, S.G, Higgins, T.M.
登録日1998-09-12
公開日1999-02-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献X-ray crystal structure of the Desulfovibrio vulgaris (Hildenborough) apoflavodoxin-riboflavin complex.
Eur.J.Biochem., 258, 1998
3HE6
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BU of 3he6 by Molmil
Crystal structure of mouse CD1d-alpha-galactosylceramide with mouse Valpha14-Vbeta8.2 NKT TCR
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, Antigen-presenting glycoprotein CD1d1, ...
著者Patel, O, Rossjohn, J.
登録日2009-05-07
公開日2009-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Differential recognition of CD1d-alpha-galactosyl ceramide by the V beta 8.2 and V beta 7 semi-invariant NKT T cell receptors
Immunity, 31, 2009
1F13
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BU of 1f13 by Molmil
RECOMBINANT HUMAN CELLULAR COAGULATION FACTOR XIII
分子名称: CELLULAR COAGULATION FACTOR XIII ZYMOGEN
著者Weiss, M.S, Hilgenfeld, R.
登録日1998-01-16
公開日1998-08-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Two non-proline cis peptide bonds may be important for factor XIII function.
FEBS Lett., 423, 1998
3HE7
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BU of 3he7 by Molmil
Crystal structure of mouse CD1d-alpha-galactosylceramide with mouse Valpha14-Vbeta7 NKT TCR
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, Antigen-presenting glycoprotein CD1d1, ...
著者Patel, O, Rossjohn, J.
登録日2009-05-08
公開日2009-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Differential recognition of CD1d-alpha-galactosyl ceramide by the V beta 8.2 and V beta 7 semi-invariant NKT T cell receptors
Immunity, 31, 2009
3JPP
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BU of 3jpp by Molmil
Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-MonoMethyl Methylene triphosphate
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy({(S)-hydroxy[(1R)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]guanosine, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ...
著者Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E.
登録日2009-09-04
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues.
J.Am.Chem.Soc., 132, 2010
4MRC
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BU of 4mrc by Molmil
Human Transthyretin Ser52Pro Mutant
分子名称: CALCIUM ION, Transthyretin
著者Chen, W.J, Wood, S.P.
登録日2013-09-17
公開日2014-01-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Proteolytic cleavage of Ser52Pro variant transthyretin triggers its amyloid fibrillogenesis.
Proc.Natl.Acad.Sci.USA, 111, 2014
4O1T
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BU of 4o1t by Molmil
Crystal structure of murine neuroglobin mutant F106W
分子名称: Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Avella, G, Savino, C, Vallone, B.
登録日2013-12-16
公開日2014-06-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Engineering the internal cavity of neuroglobin demonstrates the role of the haem-sliding mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
5CR5
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BU of 5cr5 by Molmil
X-RAY CRYSTAL STRUCTURE AT 1.61A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A BIPHENYL PYRROLIDINE ETHER COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
分子名称: 1,2-ETHANEDIOL, 3-({(3R)-1-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}oxy)-N-methyl-2'-[(methylsulfonyl)amino]biphenyl-4-carboxamide, Branched-chain-amino-acid aminotransferase, ...
著者Somers, D.O.
登録日2015-07-22
公開日2015-08-12
最終更新日2015-09-02
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Discovery, SAR, and X-ray Binding Mode Study of BCATm Inhibitors from a Novel DNA-Encoded Library.
Acs Med.Chem.Lett., 6, 2015
4MSL
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BU of 4msl by Molmil
Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF40431
分子名称: N-[(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-L-leucine, Sortilin, TETRAETHYLENE GLYCOL, ...
著者Andersen, J.L, Strandbygaard, D, Thirup, S.
登録日2013-09-18
公開日2014-02-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of the first small-molecule ligand of the neuronal receptor sortilin and structure determination of the receptor-ligand complex.
Acta Crystallogr.,Sect.D, 70, 2014
5DJL
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BU of 5djl by Molmil
Structure of WT Human Glutathione Transferase in complex with cisplatin in the presence of glutathione.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CARBONATE ION, ...
著者Parker, L.J.
登録日2015-09-02
公開日2016-11-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A structure-based mechanism of cisplatin resistance mediated by Glutathione Transferase P1-1
Proc.Natl.Acad.Sci.USA, 2019
4PP9
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BU of 4pp9 by Molmil
ITK kinase domain with compound 1 (N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-2H-INDAZOLE-3-CARBOXAMIDE)
分子名称: N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-2H-indazole-3-carboxamide, SULFATE ION, Tyrosine-protein kinase ITK/TSK
著者Eigenbrot, C, Shia, S.
登録日2014-02-26
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
7DLX
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BU of 7dlx by Molmil
crystal structure of H2AM4>Z-H2B
分子名称: Histone H2B,Histone H2A
著者Dai, L.C, Zhou, Z.
登録日2020-11-30
公開日2021-06-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.395 Å)
主引用文献Recognition of the inherently unstable H2A nucleosome by Swc2 is a major determinant for unidirectional H2A.Z exchange.
Cell Rep, 35, 2021
5DJM
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BU of 5djm by Molmil
Structure of WT Human Glutathione Transferase in complex with cisplatin in the absence of glutathione.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutathione S-transferase P, PLATINUM (II) ION
著者Parker, L.J.
登録日2015-09-02
公開日2016-11-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A structure-based mechanism of cisplatin resistance mediated by Glutathione Transferase P1-1
Proc.Natl.Acad.Sci.USA, 2019
4NCG
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BU of 4ncg by Molmil
Discovery of Doravirine, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses
分子名称: 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Yan, Y.
登録日2013-10-24
公開日2014-02-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Discovery of MK-1439, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses.
Bioorg.Med.Chem.Lett., 24, 2014
4O1O
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BU of 4o1o by Molmil
Crystal Structure of RNase L in complex with 2-5A
分子名称: Ribonuclease L, [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
著者Huang, H, Zeqiraj, E, Ceccarelli, D.F, Sicheri, F.
登録日2013-12-16
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.27 Å)
主引用文献Dimeric structure of pseudokinase RNase L bound to 2-5A reveals a basis for interferon-induced antiviral activity.
Mol.Cell, 53, 2014
4MU5
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BU of 4mu5 by Molmil
Crystal structure of murine neuroglobin mutant M144W
分子名称: Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Vallone, B, Avella, G, Savino, C, Ardiccioni, C, Brunori, M.
登録日2013-09-20
公開日2014-06-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering the internal cavity of neuroglobin demonstrates the role of the haem-sliding mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
5DYQ
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BU of 5dyq by Molmil
AbyU L73M L139M
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, YD repeat-containing protein
著者Byrne, M.J, Race, P.R.
登録日2015-09-25
公開日2016-06-08
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献The Catalytic Mechanism of a Natural Diels-Alderase Revealed in Molecular Detail.
J.Am.Chem.Soc., 138, 2016
5DIL
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BU of 5dil by Molmil
Crystal structure of the effector domain of the NS1 protein from influenza virus B
分子名称: IODIDE ION, Non-structural protein 1
著者Guan, R, Hamilton, K, Ma, L, Montelione, G.T.
登録日2015-09-01
公開日2016-08-10
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献A Second RNA-Binding Site in the NS1 Protein of Influenza B Virus.
Structure, 24, 2016

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