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2FFL
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BU of 2ffl by Molmil
Crystal Structure of Dicer from Giardia intestinalis
分子名称: Dicer, MANGANESE (II) ION
著者Doudna, J.A, MacRae, I.J, Adams, P.D.
登録日2005-12-19
公開日2006-01-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Structural Basis of Double-Stranded RNA Processing by Dicer
Science, 311, 2006
4HLW
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BU of 4hlw by Molmil
Targeting the Binding Function 3 (BF3) Site of the Human Androgen Receptor Through Virtual Screening. 2. Development of 2-((2-phenoxyethyl) thio)-1H-benzoimidazole derivatives.
分子名称: 2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazole, Androgen receptor, GLYCEROL, ...
著者Ravi, S.N.M, Leblanc, E, Axerio-Cilies, P, Labriere, C, Frewin, K, Hassona, M.D.H, Lack, N.A, Han, F.Q, Guns, E.S, Young, R, Ban, F, Rennie, P.S, Cherkasov, A.
登録日2012-10-17
公開日2013-01-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Targeting the Binding Function 3 (BF3) Site of the Androgen Receptor Through Virtual Screening. 2. Development of 2-((2-phenoxyethyl) thio)-1H-benzimidazole Derivatives.
J.Med.Chem., 56, 2013
4MGS
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BU of 4mgs by Molmil
BiXyn10A CBM1 APO
分子名称: Putative glycosyl hydrolase family 10
著者Chekan, J.R, Nair, S.K.
登録日2013-08-28
公開日2014-08-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Xylan utilization in human gut commensal bacteria is orchestrated by unique modular organization of polysaccharide-degrading enzymes.
Proc.Natl.Acad.Sci.USA, 111, 2014
3PF3
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BU of 3pf3 by Molmil
Crystal structure of a mutant (C202A) of Triosephosphate isomerase from Giardia lamblia derivatized with MMTS
分子名称: CALCIUM ION, GLYCEROL, SULFATE ION, ...
著者Enriquez-Flores, S, Rodriguez-Romero, A, Hernandez-Santoyo, A, Reyes-Vivas, H.
登録日2010-10-27
公開日2011-06-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.098 Å)
主引用文献Determining the molecular mechanism of inactivation by chemical modification of triosephosphate isomerase from the human parasite Giardia lamblia: A study for antiparasitic drug design.
Proteins, 79, 2011
4EVH
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BU of 4evh by Molmil
Crystal structure of calcium-bound alpha-1 giardin
分子名称: CALCIUM ION, Giardin subunit alpha-1
著者Weeratunga, S, Hofmann, A.
登録日2012-04-26
公開日2012-07-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Alpha-1 giardin is an annexin with highly unusual calcium-regulated mechanisms
J.Mol.Biol., 423, 2012
4QPW
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BU of 4qpw by Molmil
BiXyn10A CBM1 with Xylohexaose Bound
分子名称: beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, glycosyl hydrolase family 10
著者Chekan, J.R, Nair, S.K.
登録日2014-06-25
公開日2014-08-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Xylan utilization in human gut commensal bacteria is orchestrated by unique modular organization of polysaccharide-degrading enzymes.
Proc.Natl.Acad.Sci.USA, 111, 2014
4EVF
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BU of 4evf by Molmil
Crystal structure of apo alpha-1 giardin
分子名称: Giardin subunit alpha-1
著者Weeratunga, S, Hofmann, A.
登録日2012-04-26
公開日2012-07-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Alpha-1 giardin is an annexin with highly unusual calcium-regulated mechanisms
J.Mol.Biol., 423, 2012
4RJY
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BU of 4rjy by Molmil
Crystal structure of E. coli L-Threonine Aldolase in complex with a non-covalently uncleaved bound L-serine substrate
分子名称: Low specificity L-threonine aldolase, SERINE, SODIUM ION
著者Safo, M.K, Chowdhury, N, Gandhi, A.K.
登録日2014-10-11
公開日2014-10-29
最終更新日2015-02-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular basis of E. colil-threonine aldolase catalytic inactivation at low pH.
Biochim.Biophys.Acta, 1854, 2015
5KYA
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BU of 5kya by Molmil
Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core
分子名称: Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta, [2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol
著者Chen, G, McKeever, B.M.
登録日2016-07-21
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Bioorg.Med.Chem.Lett., 26, 2016
5LDY
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BU of 5ldy by Molmil
Structure of Yersinia pseudotuberculosis InvD
分子名称: Ig domain protein group 1 domain protein, PHOSPHATE ION
著者Sadana, P, Scrima, A.
登録日2016-06-28
公開日2017-06-14
最終更新日2020-06-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The invasin D protein from Yersinia pseudotuberculosis selectively binds the Fab region of host antibodies and affects colonization of the intestine
J.Biol.Chem., 2018
2GSA
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BU of 2gsa by Molmil
CRYSTAL STRUCTURE OF GLUTAMATE-1-SEMIALDEHYDE AMINOMUTASE (AMINOTRANSFERASE, WILD-TYPE FORM)
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, GLUTAMATE SEMIALDEHYDE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
著者Hennig, M, Jansonius, J.N.
登録日1997-02-26
公開日1998-03-04
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of glutamate-1-semialdehyde aminomutase: an alpha2-dimeric vitamin B6-dependent enzyme with asymmetry in structure and active site reactivity.
Proc.Natl.Acad.Sci.USA, 94, 1997
5DEF
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BU of 5def by Molmil
Crystal structure of B*27:04 complex bound to the pVIPR peptide
分子名称: Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ...
著者Loll, B, Fabian, H, Huser, H, Hee, C.S, Uchanska-Ziegler, B, Ziegler, A.
登録日2015-08-25
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Increased Conformational Flexibility of HLA-B*27 Subtypes Associated With Ankylosing Spondylitis.
Arthritis Rheumatol, 68, 2016
4APN
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BU of 4apn by Molmil
Structure of TR from Leishmania infantum in complex with a diarylpirrole-based inhibitor
分子名称: 4-[[1-(4-ethylphenyl)-2-methyl-5-(4-methylsulfanylphenyl)pyrrol-3-yl]methyl]thiomorpholine, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Baiocco, P, Ilari, A, Colotti, G, Biava, M.
登録日2012-04-04
公開日2013-04-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Inhibition of Leishmania Infantum Trypanothione Reductase by Azole-Based Compounds: A Comparative Analysis with its Physiological Substrate by X-Ray Crystallography.
Chemmedchem, 8, 2013
5DEG
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BU of 5deg by Molmil
Crystal structure of B*27:06 bound to the pVIPR peptide
分子名称: Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ...
著者Loll, B, Fabian, H, Hee, C.S, Huser, H, Uchanska-Ziegler, B, Ziegler, A.
登録日2015-08-25
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Increased Conformational Flexibility of HLA-B*27 Subtypes Associated With Ankylosing Spondylitis.
Arthritis Rheumatol, 68, 2016
5LS9
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BU of 5ls9 by Molmil
Humanized Archaeal ferritin
分子名称: Ferritin, putative, MAGNESIUM ION
著者Baiocco, P, Trabuco, M.C, Boffi, A.
登録日2016-08-23
公開日2016-11-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Humanized archaeal ferritin as a tool for cell targeted delivery.
Nanoscale, 9, 2017
5O3I
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BU of 5o3i by Molmil
Human Brd2(BD2) mutant in complex with AL-tBu
分子名称: (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ...
著者Chan, K.-H, Runcie, A.C, Ciulli, A.
登録日2017-05-23
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
4GSA
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BU of 4gsa by Molmil
CRYSTAL STRUCTURE OF GLUTAMATE-1-SEMIALDEHYDE AMINOMUTASE (AMINOTRANSFERASE) REDUCED WITH CYANOBOROHYDRATE
分子名称: GLUTAMATE SEMIALDEHYDE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
著者Hennig, M, Jansonius, J.N.
登録日1997-02-26
公開日1998-03-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of glutamate-1-semialdehyde aminomutase: an alpha2-dimeric vitamin B6-dependent enzyme with asymmetry in structure and active site reactivity.
Proc.Natl.Acad.Sci.USA, 94, 1997
4LNL
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BU of 4lnl by Molmil
Structure of Escherichia coli Threonine Aldolase in Complex with Allo-Thr
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Low-specificity L-threonine aldolase, ...
著者Safo, M.K.
登録日2013-07-11
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献On the catalytic mechanism and stereospecificity of Escherichia coli l-threonine aldolase.
Febs J., 281, 2014
3N45
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BU of 3n45 by Molmil
Human FPPS complex with FBS_04 and zoledronic acid/MG2+
分子名称: (2S)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, ...
著者Rondeau, J.-M.
登録日2010-05-21
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
3N5H
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BU of 3n5h by Molmil
Human fpps complex with NOV_304
分子名称: 3-(carboxymethyl)-4,7-dichloro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION
著者Rondeau, J.-M.
登録日2010-05-25
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
3N6K
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BU of 3n6k by Molmil
Human FPPS complex with NOV_823
分子名称: 1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION
著者Rondeau, J.-M.
登録日2010-05-26
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
3N5J
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BU of 3n5j by Molmil
Human fpps complex with NOV_311
分子名称: 3-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION
著者Rondeau, J.-M.
登録日2010-05-25
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
3N1V
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BU of 3n1v by Molmil
Human FPPS COMPLEX WITH FBS_01
分子名称: (5-chloro-3-methyl-1-benzothiophen-2-yl)acetic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION
著者Rondeau, J.-M.
登録日2010-05-17
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
3N49
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Human FPPS COMPLEX WITH NOV_292
分子名称: FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION, naphtho[2,1-b]thiophen-1-ylacetic acid
著者Rondeau, J.-M.
登録日2010-05-21
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
3N3L
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Human FPPS complex with FBS_03
分子名称: (6-methoxy-1-benzofuran-3-yl)acetic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION
著者Rondeau, J.-M.
登録日2010-05-20
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010

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