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2JSZ
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BU of 2jsz by Molmil
Solution structure of Tpx in the reduced state
分子名称: Probable thiol peroxidase
著者Jin, C, Lu, J, Yang, F.
登録日2007-07-17
公開日2008-07-22
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Reversible conformational switch revealed by the redox structures of Bacillus subtilis thiol peroxidase
Biochem.Biophys.Res.Commun., 373, 2008
2JSO
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BU of 2jso by Molmil
Antimicrobial resistance protein
分子名称: Polymyxin resistance protein pmrD
著者Jin, C, Fu, W.
登録日2007-07-10
公開日2007-09-04
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献First structure of the polymyxin resistance proteins.
Biochem.Biophys.Res.Commun., 361, 2007
5WCH
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BU of 5wch by Molmil
Crystal structure of the catalytic domain of human USP9X
分子名称: Probable ubiquitin carboxyl-terminal hydrolase FAF-X, UNKNOWN ATOM OR ION, ZINC ION
著者Dong, A, Zhang, Q, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
登録日2017-06-30
公開日2018-07-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure and activity-based labeling reveal the mechanisms for linkage-specific substrate recognition by deubiquitinase USP9X.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
3IP0
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BU of 3ip0 by Molmil
Crystal structure of E. coli HPPK in complex with MgAMPCPP and 6-hydroxymethylpterin/6-carboxypterin
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 6-CARBOXYPTERIN, 6-HYDROXYMETHYLPTERIN, ...
著者Blaszczyk, J, Ji, X.
登録日2009-08-15
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (0.89 Å)
主引用文献Dynamic roles of arginine residues 82 and 92 of Escherichia coli 6-hydroxymethyl-7,8-dihydroptein pyrophosphokinase: Crystallographic studies
Biochemistry, 42, 2003
6M17
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BU of 6m17 by Molmil
The 2019-nCoV RBD/ACE2-B0AT1 complex
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, Xia, L, Guo, Y.Y, Zhou, Q.
登録日2020-02-24
公開日2020-03-11
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2.
Science, 367, 2020
5ZNY
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BU of 5zny by Molmil
Structure of mDR3_DD-C363G with MBP tag
分子名称: Maltose-binding periplasmic protein,Tumor necrosis factor receptor superfamily, member 25, SULFATE ION
著者Yin, X, Jin, T.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
3HK5
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BU of 3hk5 by Molmil
Crystal structure of uronate isomerase from Bacillus halodurans complexed with zinc and D-Arabinarate
分子名称: CARBONATE ION, CHLORIDE ION, D-arabinaric acid, ...
著者Fedorov, A.A, Fedorov, E.V, Nguyen, T.T, Raushel, F.M, Almo, S.C.
登録日2009-05-22
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The mechanism of the reaction catalyzed by uronate isomerase illustrates how an isomerase may have evolved from a hydrolase within the amidohydrolase superfamily.
Biochemistry, 48, 2009
3HK8
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BU of 3hk8 by Molmil
Crystal structure of uronate isomerase from Bacillus halodurans complexed with zinc and D-Arabinohydroxamate
分子名称: CARBONATE ION, CHLORIDE ION, D-arabinohydroxamic acid, ...
著者Fedorov, A.A, Fedorov, E.V, Nguyen, T.T, Raushel, F.M, Almo, S.C.
登録日2009-05-22
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The mechanism of the reaction catalyzed by uronate isomerase illustrates how an isomerase may have evolved from a hydrolase within the amidohydrolase superfamily.
Biochemistry, 48, 2009
3HKA
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BU of 3hka by Molmil
Crystal structure of uronate isomerase from Bacillus halodurans complexed with zinc and D-Fructuronate
分子名称: CARBONATE ION, CHLORIDE ION, D-fructuronic acid, ...
著者Fedorov, A.A, Fedorov, E.V, Nguyen, T.T, Raushel, F.M, Almo, S.C.
登録日2009-05-22
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The mechanism of the reaction catalyzed by uronate isomerase illustrates how an isomerase may have evolved from a hydrolase within the amidohydrolase superfamily.
Biochemistry, 48, 2009
2NM3
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BU of 2nm3 by Molmil
Crystal structure of dihydroneopterin aldolase from S. aureus in complex with (1S,2S)-monapterin at 1.68 angstrom resolution
分子名称: ACETATE ION, D-MONAPTERIN, Dihydroneopterin aldolase
著者Blaszczyk, J, Ji, X, Yan, H.
登録日2006-10-20
公開日2007-09-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural basis for the aldolase and epimerase activities of Staphylococcus aureus dihydroneopterin aldolase.
J.Mol.Biol., 368, 2007
6AY5
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BU of 6ay5 by Molmil
CREBBP bromodomain in complex with Cpd17 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-3-methylbenzo[d]thiazol-2(3H)-one)
分子名称: 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one, CREB-binding protein, DIMETHYL SULFOXIDE, ...
著者Murray, J.M.
登録日2017-09-07
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
1UP4
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BU of 1up4 by Molmil
Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.85 Angstrom resolution in the monoclinic form
分子名称: 6-PHOSPHO-BETA-GLUCOSIDASE
著者Varrot, A, Yip, V, Withers, S.G, Davies, G.J.
登録日2003-09-26
公開日2004-11-18
最終更新日2016-12-28
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Nad+ and Metal-Ion Dependent Hydrolysis by Family 4 Glycosidases: Structural Insight Into Specificity for Phospho-Beta-D-Glucosides
J.Mol.Biol., 346, 2005
2JSY
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BU of 2jsy by Molmil
Solution structure of Tpx in the oxidized state
分子名称: Probable thiol peroxidase
著者Jin, C, Lu, J.
登録日2007-07-17
公開日2008-07-22
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Reversible conformational switch revealed by the redox structures of Bacillus subtilis thiol peroxidase
Biochem.Biophys.Res.Commun., 373, 2008
2NM2
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BU of 2nm2 by Molmil
Crystal structure of dihydroneopterin aldolase from S. aureus in complex with (1S,2R)-neopterin at 1.50 Angstrom resolution
分子名称: Dihydroneopterin aldolase, L-NEOPTERIN
著者Blaszczyk, J, Ji, X, Yan, H.
登録日2006-10-20
公開日2007-09-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for the aldolase and epimerase activities of Staphylococcus aureus dihydroneopterin aldolase.
J.Mol.Biol., 368, 2007
1XCA
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BU of 1xca by Molmil
APO-CELLULAR RETINOIC ACID BINDING PROTEIN II
分子名称: CELLULAR RETINOIC ACID BINDING PROTEIN TYPE II
著者Chen, X, Ji, X.
登録日1996-12-31
公開日1998-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of apo-cellular retinoic acid-binding protein type II (R111M) suggests a mechanism of ligand entry.
J.Mol.Biol., 278, 1998
1XP1
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BU of 1xp1 by Molmil
HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 15
分子名称: (2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6- OL, Estrogen receptor
著者Fitzgerald, P.M.D, Sharma, N.
登録日2004-10-07
公開日2004-12-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.
Bioorg.Med.Chem.Lett., 15, 2005
1XPC
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BU of 1xpc by Molmil
HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 19
分子名称: (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2R)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL, Estrogen receptor
著者Fitzgerald, P.M.D, Sharma, N.
登録日2004-10-08
公開日2004-12-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.
Bioorg.Med.Chem.Lett., 15, 2005
1XP6
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BU of 1xp6 by Molmil
HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 16
分子名称: (2S,3R)-2-(4-{2-[(3S,4S)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL, Estrogen receptor
著者Fitzgerald, P.M.D, Sharma, N.
登録日2004-10-08
公開日2004-12-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.
Bioorg.Med.Chem.Lett., 15, 2005
1XP9
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BU of 1xp9 by Molmil
HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 18
分子名称: (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2S)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL, Estrogen receptor
著者Fitzgerald, P.M.D, Sharma, N.
登録日2004-10-08
公開日2004-12-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.
Bioorg.Med.Chem.Lett., 15, 2005
2NTT
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BU of 2ntt by Molmil
Crystal Structure of SEK
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Staphylococcal enterotoxin K
著者Gunther, S, Varma, A.K, Moza, B, Sundberg, E.J.
登録日2006-11-08
公開日2007-06-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.561 Å)
主引用文献A novel loop domain in superantigens extends their T cell receptor recognition site
J.Mol.Biol., 371, 2007
2NTS
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BU of 2nts by Molmil
Crystal Structure of SEK-hVb5.1
分子名称: Staphylococcal enterotoxin K, TRBC1 protein
著者Gunther, S, Varma, A.K, Moza, B, Sundberg, E.J.
登録日2006-11-08
公開日2007-06-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A novel loop domain in superantigens extends their T cell receptor recognition site
J.Mol.Biol., 371, 2007
5Z0Q
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BU of 5z0q by Molmil
Crystal Structure of OvoB
分子名称: Aminotransferase, class I and II, PYRIDOXAL-5'-PHOSPHATE
著者Cai, Y.J, Huang, P, Wu, L, Zhou, J.H, Liu, P.H.
登録日2017-12-20
公開日2018-11-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献In Vitro Reconstitution of the Remaining Steps in Ovothiol A Biosynthesis: C-S Lyase and Methyltransferase Reactions.
Org. Lett., 20, 2018
4ER5
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BU of 4er5 by Molmil
Crystal structure of human DOT1L in complex with 2 molecules of EPZ004777
分子名称: 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
6K21
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BU of 6k21 by Molmil
Pyrophosphatase from Acinetobacter baumannii
分子名称: Inorganic pyrophosphatase, MAGNESIUM ION, SODIUM ION
著者Su, J.
登録日2019-05-13
公開日2019-10-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of Pyrophosphatase from Acinetobacter baumannii: Snapshots of Pyrophosphate Binding and Identification of a Phosphorylated Enzyme Intermediate.
Int J Mol Sci, 20, 2019
6K27
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BU of 6k27 by Molmil
Pyrophosphatase with PPi from Acinetobacter baumannii
分子名称: DIPHOSPHATE, Inorganic pyrophosphatase, MAGNESIUM ION
著者Su, J.
登録日2019-05-13
公開日2019-10-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal Structures of Pyrophosphatase from Acinetobacter baumannii: Snapshots of Pyrophosphate Binding and Identification of a Phosphorylated Enzyme Intermediate.
Int J Mol Sci, 20, 2019

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