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PDB: 2886 件

2ZD8
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BU of 2zd8 by Molmil
SHV-1 class A beta-lactamase complexed with meropenem
分子名称: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
著者Nukaga, M, Knox, J.R, Hujer, A, Bonomo, R.A.
登録日2007-11-20
公開日2008-09-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Inhibition of class A beta-lactamases by carbapenems: crystallographic observation of two conformations of meropenem in SHV-1.
J.Am.Chem.Soc., 130, 2008
6OAB
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BU of 6oab by Molmil
Cdc48-Npl4 complex processing poly-ubiquitinated substrate in the presence of ADP-BeFx, state 2
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cell division control protein 48, ...
著者Twomey, E.C, Ji, Z, Wales, T.E, Bodnar, N.O, Engen, J.R, Rapoport, T.A.
登録日2019-03-15
公開日2019-07-03
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Substrate processing by the Cdc48 ATPase complex is initiated by ubiquitin unfolding.
Science, 365, 2019
6OHI
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BU of 6ohi by Molmil
Crystal Structure of the Debrominase Bmp8 (Apo)
分子名称: Debrominase Bmp8, SULFATE ION
著者Chekan, J.R, Moore, B.S.
登録日2019-04-05
公開日2019-05-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Bacterial Tetrabromopyrrole Debrominase Shares a Reductive Dehalogenation Strategy with Human Thyroid Deiodinase.
Biochemistry, 58, 2019
4B9H
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BU of 4b9h by Molmil
Cladosporium fulvum LysM effector Ecp6 in complex with a beta-1,4- linked N-acetyl-D-glucosamine tetramer: I3C heavy atom derivative
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-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, ...
著者Saleem-Batcha, R, Sanchez-Vallet, A, Hansen, G, Thomma, B.P.H.J, Mesters, J.R.
登録日2012-09-04
公開日2013-07-17
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Fungal Effector Ecp6 Outcompetes Host Immune Receptor for Chitin Binding Through Intrachain Lysm Dimerization
Elife, 2, 2013
2XL3
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BU of 2xl3 by Molmil
WDR5 IN COMPLEX WITH AN RBBP5 PEPTIDE AND HISTONE H3 PEPTIDE
分子名称: GLYCEROL, HISTONE H3.1, RETINOBLASTOMA-BINDING PROTEIN 5, ...
著者Odho, Z, Southall, S.M, Wilson, J.R.
登録日2010-07-19
公開日2010-08-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Characterisation of a Novel Wdr5 Binding Site that Recruits Rbbp5 Through a Conserved Motif and Enhances Methylation of H3K4 by Mll1.
J.Biol.Chem., 285, 2010
2X63
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BU of 2x63 by Molmil
Crystal structure of the sialyltransferase CST-II N51A in complex with CMP
分子名称: 1,2-ETHANEDIOL, ALPHA-2,3-/2,8-SIALYLTRANSFERASE, CYTIDINE-5'-MONOPHOSPHATE
著者Lee, H.J, Lairson, L.L, Rich, J.R, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J.
登録日2010-02-14
公開日2011-02-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Kinetic Analysis of Substrate Binding to the Sialyltransferase Cst-II from Campylobacter Jejuni.
J.Biol.Chem., 286, 2011
2X62
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BU of 2x62 by Molmil
CRYSTAL STRUCTURE OF THE SIALYLTRANSFERASE CST-II Y81F IN COMPLEX WITH CMP
分子名称: 1,2-ETHANEDIOL, ALPHA-2,3-/2,8-SIALYLTRANSFERASE, N3-PROTONATED CYTIDINE-5'-MONOPHOSPHATE
著者Lee, H.J, Lairson, L.L, Rich, J.R, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J.
登録日2010-02-14
公開日2011-02-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and Kinetic Analysis of Substrate Binding to the Sialyltransferase Cst-II from Campylobacter Jejuni.
J.Biol.Chem., 286, 2011
6F0P
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BU of 6f0p by Molmil
Botulinum neurotoxin A4 Hc domain
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
著者Davies, J.R, Rees, J, Liu, S.M, Acharya, K.R.
登録日2017-11-20
公開日2018-01-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献High resolution crystal structures of Clostridium botulinum neurotoxin A3 and A4 binding domains.
J. Struct. Biol., 202, 2018
2WYJ
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BU of 2wyj by Molmil
Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs
分子名称: (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1S)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN
著者Kleanthous, S, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chaudry, L, Chan, C, Clarte, M, Convery, M.A, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Roethka, T.J, Senger, S, Shah, G.P, Stelman, G.J, Toomey, J.R, Watson, N.S, Whittaker, C, Zhou, P, Young, R.J.
登録日2009-11-16
公開日2010-12-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs
Bioorg.Med.Chem.Lett., 20, 2010
2WUV
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BU of 2wuv by Molmil
Crystallographic analysis of counter-ion effects on subtilisin enzymatic action in acetonitrile
分子名称: ACETONITRILE, CALCIUM ION, CESIUM ION, ...
著者Cianci, M, Tomaszewki, B, Helliwell, J.R, Halling, P.J.
登録日2009-10-09
公開日2010-12-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Crystallographic Analysis of Counterion Effects on Subtilisin Enzymatic Action in Acetonitrile.
J.Am.Chem.Soc., 132, 2010
2WUW
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BU of 2wuw by Molmil
Crystallographic analysis of counter-ion effects on subtilisin enzymatic action in acetonitrile (native data)
分子名称: ACETONITRILE, CALCIUM ION, SODIUM ION, ...
著者Cianci, M, Tomaszewki, B, Helliwell, J.R, Halling, P.J.
登録日2009-10-09
公開日2010-12-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Crystallographic Analysis of Counterion Effects on Subtilisin Enzymatic Action in Acetonitrile.
J.Am.Chem.Soc., 132, 2010
4BUP
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BU of 4bup by Molmil
A novel route to product specificity in the Suv4-20 family of histone H4K20 methyltransferases
分子名称: GLYCEROL, HISTONE-LYSINE N-METHYLTRANSFERASE SUV420H1, S-ADENOSYLMETHIONINE, ...
著者Southall, S.M, Cronin, N.B, Wilson, J.R.
登録日2013-06-21
公開日2013-10-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.166 Å)
主引用文献A Novel Route to Product Specificity in the Suv4-20 Family of Histone H4K20 Methyltransferases.
Nucleic Acids Res., 42, 2014
2XVR
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BU of 2xvr by Molmil
Phage T7 empty mature head shell
分子名称: MAJOR CAPSID PROTEIN 10A
著者Ionel, A, Velazquez-Muriel, J.A, Luque, D, Cuervo, A, Caston, J.R, Valpuesta, J.M, Martin-Benito, J, Carrascosa, J.L.
登録日2010-10-28
公開日2010-12-01
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (10.8 Å)
主引用文献Molecular Rearrangements Involved in the Capsid Shell Maturation of Bacteriophage T7.
J.Biol.Chem., 286, 2011
6F0O
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BU of 6f0o by Molmil
Botulinum neurotoxin A3 Hc domain
分子名称: 1,2-ETHANEDIOL, Bontoxilysin A, PENTAETHYLENE GLYCOL, ...
著者Davies, J.R, Liu, S.M, Acharya, K.R.
登録日2017-11-20
公開日2018-01-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献High resolution crystal structures of Clostridium botulinum neurotoxin A3 and A4 binding domains.
J. Struct. Biol., 202, 2018
2XTH
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BU of 2xth by Molmil
K2PtBr6 binding to lysozyme
分子名称: HEXABROMOPLATINATE(IV), LYSOZYME C
著者Helliwell, J.R, Bell, A.M.T, Bryant, P, Fisher, S, Habash, J, Helliwell, M, Margiolaki, I, Kaenket, S, Watier, Y, Wright, J, Yalamanchili, S.K.
登録日2010-10-07
公開日2010-12-08
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Time-Dependent Analysis of K2Ptbr6 Binding to Lysozyme Studied by Protein Powder and Single Crystal X-Ray Analysis
Z.Kristallogr., 225, 2010
2ROY
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BU of 2roy by Molmil
TRANSTHYRETIN (ALSO CALLED PREALBUMIN) COMPLEX WITH 3',5'-DINITRO-N-ACETYL-L-THYRONINE
分子名称: 3',5'-DINITRO-N-ACETYL-L-THYRONINE, TRANSTHYRETIN
著者Wojtczak, A, Cody, V, Luft, J.R, Pangborn, W.
登録日1996-10-23
公開日1997-04-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of human transthyretin complexed with thyroxine at 2.0 A resolution and 3',5'-dinitro-N-acetyl-L-thyronine at 2.2 A resolution.
Acta Crystallogr.,Sect.D, 52, 1996
6BH3
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BU of 6bh3 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (S)-N-(1-(3-isopropyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl)cyclopropanecarboxamide (Compound N55)
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
4B5Z
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BU of 4b5z by Molmil
Structure of the apo-rFnBPA(189-505) from Staphylococcus aureus
分子名称: FIBRONECTIN-BINDING PROTEIN A
著者Stemberk, V, Moroz, O, Atkin, K.E, Turkenburg, J.P, Potts, J.R.
登録日2012-08-08
公開日2013-10-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Evidence for Steric Regulation of Fibrinogen Binding to Staphylococcus Aureus Fibronectin-Binding Protein a (Fnbpa).
J.Biol.Chem., 289, 2014
6BGW
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BU of 6bgw by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(4,4-difluoropiperidin-1-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound N41)
分子名称: 2-{(S)-(2-chlorophenyl)[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.644 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BGV
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N40)
分子名称: 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.592 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BH5
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BU of 6bh5 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(3-(piperidin-1-yl)propoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N48)
分子名称: 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[3-(piperidin-1-yl)propoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6P64
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BU of 6p64 by Molmil
Alpha-beta TCR Binding to Neoantigen KQWLVWLFL Presented by HLA-A206
分子名称: 302TIL TCR alpha chain, 302TIL TCR beta chain, Beta-2-microglobulin, ...
著者Devlin, J.R, Baker, B.M.
登録日2019-05-31
公開日2020-06-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献A T cell receptor peptide/MHC complex at 3.05 Angstrom resolution
To be Published
2WNF
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BU of 2wnf by Molmil
Crystal Structure of a Mammalian Sialyltransferase in complex with Gal-beta-1-3GalNAc-ortho-nitrophenol
分子名称: CMP-N-ACETYLNEURAMINATE-BETA-GALACTOSAMIDE-ALPHA-2,3-SIALYLTRANSFERASE, HYDROXY(2-HYDROXYPHENYL)OXOAMMONIUM, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose
著者Rao, F.V, Rich, J.R, Raikic, B, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J.
登録日2009-07-09
公開日2009-10-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural Insight Into Mammalian Sialyltransferases.
Nat.Struct.Mol.Biol., 16, 2009
2WML
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BU of 2wml by Molmil
Crystal Structure of a Mammalian Sialyltransferase
分子名称: CHLORIDE ION, CMP-N-ACETYLNEURAMINATE-BETA-GALACTOSAMIDE -ALPHA-2,3-SIALYLTRANSFERASE, GLYCEROL
著者Rao, F.V, Rich, J.R, Raikic, B, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J.
登録日2009-07-01
公開日2009-10-13
最終更新日2011-11-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insight Into Mammalian Sialyltransferases.
Nat.Struct.Mol.Biol., 16, 2009
6BGY
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound 46)
分子名称: 1,2-ETHANEDIOL, 2-[(S)-(2-chlorophenyl){2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy}methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018

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