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1SII
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BU of 1sii by Molmil
AGAO in covalent complex with the inhibitor NOBA ("4-(2-naphthyloxy)-2-butyn-1-amine")
分子名称: COPPER (II) ION, GLYCEROL, Phenylethylamine oxidase, ...
著者Guss, J.M, Langley, D.B, Duff, A.P.
登録日2004-02-29
公開日2004-09-07
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Differential Inhibition of Six Copper Amine Oxidases by a Family of 4-(Aryloxy)-2-butynamines: Evidence for a New Mode of Inactivation.
Biochemistry, 43, 2004
1SIH
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BU of 1sih by Molmil
AGAO in covalent complex with the inhibitor MOBA ("4-(4-methylphenoxy)-2-butyn-1-amine")
分子名称: COPPER (II) ION, GLYCEROL, Phenylethylamine oxidase, ...
著者Guss, J.M, Langley, D.B, Duff, A.P.
登録日2004-02-29
公開日2004-09-07
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Differential Inhibition of Six Copper Amine Oxidases by a Family of 4-(Aryloxy)-2-butynamines: Evidence for a New Mode of Inactivation.
Biochemistry, 43, 2004
3TN2
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BU of 3tn2 by Molmil
structure analysis of MIP1-beta P8A
分子名称: C-C motif chemokine 4, ZINC ION
著者Guo, Q, Tang, W.J.
登録日2011-09-01
公開日2012-09-05
最終更新日2018-08-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structures of human CCL18, CCL3, and CCL4 reveal molecular determinants for quaternary structures and sensitivity to insulin-degrading enzyme.
J.Mol.Biol., 427, 2015
1A75
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BU of 1a75 by Molmil
WHITING PARVALBUMIN
分子名称: CALCIUM ION, PARVALBUMIN
著者Declercq, J.P, Baneres, J.L, Rambaud, J, Parello, J.
登録日1998-03-19
公開日1998-06-17
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Tertiary Structure of a Trp-Containing Parvalbumin from Whiting (Merlangius Merlangus). Description of the Hydrophobic Core
To be Published
1J1A
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BU of 1j1a by Molmil
PANCREATIC SECRETORY PHOSPHOLIPASE A2 (IIa) WITH ANTI-INFLAMMATORY ACTIVITY
分子名称: (S)-5-(4-BENZYLOXY-PHENYL)-4-(7-PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID, CALCIUM ION, Phospholipase A2
著者Hansford, K.A, Reid, R.C, Clark, C.I, Tyndall, J.D.A, Whitehouse, M.W, Guthrie, T, McGeary, R.P, Schafer, K, Martin, J.L, Fairlie, D.P.
登録日2002-12-03
公開日2003-03-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献D-Tyrosine as a Chiral Precusor to Potent Inhibitors of Human Nonpancreatic Secretory Phospholipase A2 (IIa) with Antiinflammatory Activity
Chembiochem, 4, 2003
4AN7
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BU of 4an7 by Molmil
Kunitz type trypsin inhibitor complex with porcine trypsin
分子名称: CALCIUM ION, TRYPSIN, TRYPSIN INHIBITOR
著者Patil, D.N, Chaudhary, A, Kumar, P.
登録日2012-03-15
公開日2012-11-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structural Basis for Dual Inhibitory Role of Tamarind Kunitz Inhibitor (Tki) Against Factor Xa and Trypsin.
FEBS J., 279, 2012
4AC3
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BU of 4ac3 by Molmil
S.pneumoniae GlmU in complex with an antibacterial inhibitor
分子名称: BIFUNCTIONAL PROTEIN GLMU, N-{2,4-DIMETHOXY-5-[(2-PIPERIDIN-1-YLBENZYL)sulfamoyl]phenyl}acetamide, SULFATE ION
著者Otterbein, L, Breed, J, Ogg, D.J.
登録日2011-12-12
公開日2012-02-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series.
Bioorg.Med.Chem.Lett., 22, 2012
4NL0
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BU of 4nl0 by Molmil
Structural and functional characterization of a novel Alpha Kinase in complex with ADP from Entamoeba histolytica
分子名称: ADENOSINE-5'-DIPHOSPHATE, Protein kinase, putative, ...
著者Tarique, K.F, Rehman, S.A.A, Bhattacharya, A, Gourinath, S, Mansuri, M.S.
登録日2013-11-13
公開日2014-11-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structural and functional characterization of a novel Alpha Kinase in complex with ADP from Entamoeba histolytica
To be Published
4BEZ
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BU of 4bez by Molmil
Night blindness causing G90D rhodopsin in the active conformation
分子名称: ACETATE ION, PALMITIC ACID, RHODOPSIN, ...
著者Singhal, A, Ostermaier, M.K, Vishnivetskiy, S.A, Panneels, V, Homan, K.T, Tesmer, J.J.G, Veprintsev, D, Deupi, X, Gurevich, V.V, Schertler, G.F.X, Standfuss, J.
登録日2013-03-12
公開日2013-04-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Insights Into Congenital Stationary Night Blindness Based on the Structure of G90D Rhodopsin.
Embo Rep., 14, 2013
4ORK
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BU of 4ork by Molmil
Crystal Structure of the Phosphotransferase Domain of the Bifunctional Aminoglycoside Resistance Enzyme AAC(6')-Ie-APH(2'')-Ia
分子名称: Bifunctional AAC/APH, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Smith, C.A, Toth, M, Bhattacharya, M, Frase, H, Vakulenko, S.B.
登録日2014-02-11
公開日2014-07-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the phosphotransferase domain of the bifunctional aminoglycoside-resistance enzyme AAC(6')-Ie-APH(2'')-Ia.
Acta Crystallogr.,Sect.D, 70, 2014
3P89
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BU of 3p89 by Molmil
FXR bound to a quinolinecarboxylic acid
分子名称: 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid, Farnesoid X receptor, Nuclear receptor coactivator 1, ...
著者Madauss, K.P, Williams, S.P, Deaton, D.N.
登録日2010-10-13
公開日2011-08-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Heteroaryl replacements of the naphthalene.
Bioorg.Med.Chem.Lett., 21, 2011
2QMV
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BU of 2qmv by Molmil
High Resolution Structure of Peroxisone Proliferation-Activated Receptor gamma and Characterisation of its Interaction with the Co-activator Transcriptional Intermediary Factor 2
分子名称: Peroxisome proliferator-activated receptor gamma
著者Hartl, R, Riepl, H, Kauschke, S, Kalbitzer, H.R, Maurer, T.
登録日2007-07-17
公開日2008-09-02
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献High Resolution Structure of Peroxisone Proliferation-Activated Receptor gamma and Characterisation of its Interaction with the Co-activator Transcriptional Intermediary Factor 2
To be Published
4O6K
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BU of 4o6k by Molmil
The crystal structure of zebrafish IL-22
分子名称: Interleukin 22
著者Siupka, P, Hamming, O.J, Fretaud, M, Luftalla, G, Levraud, J.P, Hartmann, R.
登録日2013-12-21
公開日2014-09-10
最終更新日2018-05-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The crystal structure of zebrafish IL-22 reveals an evolutionary, conserved structure highly similar to that of human IL-22.
Genes Immun., 15, 2014
4OMT
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BU of 4omt by Molmil
Crystal structure of human muscle phosphofructokinase (dissociated homodimer)
分子名称: 6-phosphofructokinase, muscle type
著者Kloos, M, Straeter, N.
登録日2014-01-27
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (6 Å)
主引用文献Crystallization and preliminary crystallographic analysis of human muscle phosphofructokinase, the main regulator of glycolysis.
Acta Crystallogr F Struct Biol Commun, 70, 2014
3P88
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BU of 3p88 by Molmil
FXR bound to isoquinolinecarboxylic acid
分子名称: 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid, Farnesoid X receptor, Nuclear receptor coactivator 1, ...
著者Madauss, K.P, Williams, S.P, Deaton, D.N.
登録日2010-10-13
公開日2011-08-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Heteroaryl replacements of the naphthalene.
Bioorg.Med.Chem.Lett., 21, 2011
2RET
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BU of 2ret by Molmil
The crystal structure of a binary complex of two pseudopilins: EpsI and EpsJ from the Type 2 Secretion System of Vibrio vulnificus
分子名称: CHLORIDE ION, EpsJ, Pseudopilin EpsI, ...
著者Yanez, M.E, Korotkov, K.V, Abendroth, J, Hol, W.G.J.
登録日2007-09-27
公開日2008-02-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献The crystal structure of a binary complex of two pseudopilins: EpsI and EpsJ from the type 2 secretion system of Vibrio vulnificus.
J.Mol.Biol., 375, 2008
1O7O
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BU of 1o7o by Molmil
Roles of Individual Residues of Alpha-1,3 Galactosyltransferases in Substrate Binding and Catalysis
分子名称: MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE, ...
著者Zhang, Y, Swaminathan, G.J, Deshpande, A, Natesh, R, Xie, Z, Acharya, K.R, Brew, K.
登録日2002-11-11
公開日2003-11-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Roles of individual enzyme-substrate interactions by alpha-1,3-galactosyltransferase in catalysis and specificity.
Biochemistry, 42, 2003
1WU1
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BU of 1wu1 by Molmil
Factor Xa in complex with the inhibitor 4-[(5-chloroindol-2-yl)sulfonyl]-2-(2-methylpropyl)-1-[[5-(pyridin-4-yl) pyrimidin-2-yl]carbonyl]piperazine
分子名称: 5-CHLORO-2-({3-ISOBUTYL-4-[(5-PYRIDIN-4-YLPYRIMIDIN-2-YL)CARBONYL]PIPERAZIN-1-YL}SULFONYL)-1H-INDOLE, CALCIUM ION, Coagulation factor X, ...
著者Suzuki, M.
登録日2004-11-29
公開日2005-11-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design, synthesis, and biological activity of non-basic compounds as factor Xa inhibitors: SAR study of S1 and aryl binding sites
Bioorg.Med.Chem., 13, 2005
4P6J
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BU of 4p6j by Molmil
Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-bromophenylalanine in Octyl Glucoside
分子名称: Computationally Designed Transporter of Zn(II) and Proton, SULFATE ION
著者Joh, N.H, Acharya, R, DeGrado, W.F.
登録日2014-03-25
公開日2014-12-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014
4P6K
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BU of 4p6k by Molmil
Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-bromophenylalanine in Lipidic Cubic Phase
分子名称: Computationally Designed Transporter of Zn(II) and Proton
著者Joh, N.H, Acharya, R, DeGrado, W.F.
登録日2014-03-25
公開日2014-12-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.704 Å)
主引用文献De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014
4P58
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Crystal structure of mouse comt bound to an inhibitor
分子名称: 1',3'-dimethyl-1H,1'H-3,4'-bipyrazole, Catechol O-methyltransferase
著者Lanier, M.
登録日2014-03-15
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献A fragment-based approach to identifying S-adenosyl-l-methionine -competitive inhibitors of catechol O-methyl transferase (COMT).
J.Med.Chem., 57, 2014
1LU1
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BU of 1lu1 by Molmil
THE STRUCTURE OF THE DOLICHOS BIFLORUS SEED LECTIN IN COMPLEX WITH THE FORSSMAN DISACCHARIDE
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, ADENINE, CALCIUM ION, ...
著者Hamelryck, T.W, Loris, R, Bouckaert, J, Strecker, G, Imberty, A, Fernandez, E, Wyns, L, Etzler, M.E.
登録日1998-07-24
公開日1998-12-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Carbohydrate binding, quaternary structure and a novel hydrophobic binding site in two legume lectin oligomers from Dolichos biflorus.
J.Mol.Biol., 286, 1999
4AA7
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E.coli GlmU in complex with an antibacterial inhibitor
分子名称: BIFUNCTIONAL PROTEIN GLMU, N-(2,4-dimethoxy-5-{[(2R)-2-methyl-2,3-dihydro-1H-indol-1-yl]sulfonyl}phenyl)acetamide, SULFATE ION
著者Otterbein, L, Breed, J, Ogg, D.J.
登録日2011-11-30
公開日2012-08-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series.
Bioorg.Med.Chem.Lett., 22, 2012
4AAW
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BU of 4aaw by Molmil
S.pneumoniae GlmU in complex with an antibacterial inhibitor
分子名称: 4-{[1-(2-{[({5-[(3-carboxypropanoyl)amino]-2,4-dimethoxyphenyl}sulfonyl)amino]methyl}phenyl)piperidin-4-yl]methoxy}-4-oxobutanoic acid, BIFUNCTIONAL PROTEIN GLMU, SULFATE ION
著者Otterbein, L, Breed, J, Ogg, D.J.
登録日2011-12-05
公開日2012-02-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series.
Bioorg.Med.Chem.Lett., 22, 2012
1GXU
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BU of 1gxu by Molmil
Hydrogenase Maturation Protein HypF "acylphosphatase-like" N-terminal domain (HypF-ACP) in complex with a substrate. Crystal grown in the presence of carbamoylphosphate
分子名称: DIHYDROGENPHOSPHATE ION, HYDROGENASE MATURATION PROTEIN HYPF
著者Rosano, C, Zuccotti, S, Stefani, M, Bucciantini, M, Ramponi, G, Bolognesi, M.
登録日2002-04-11
公開日2002-09-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Crystal Structure and Anion Binding in the Prokaryotic Hydrogenase Maturation Factor Hypf Acylphosphatase-Like Domain
J.Mol.Biol., 321, 2002

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