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PDB: 1599 件

6PYE
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Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with NR160
分子名称: 1,2-ETHANEDIOL, Hdac6 protein, N-[(1-benzyl-1H-tetrazol-5-yl)methyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)benzamide, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-07-29
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.480003 Å)
主引用文献Multicomponent Synthesis, Binding Mode, and Structure-Activity Relationship of Selective Histone Deacetylase 6 (HDAC6) Inhibitors with Bifurcated Capping Groups.
J.Med.Chem., 63, 2020
6PZR
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Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with Resminostat
分子名称: 1,2-ETHANEDIOL, Hdac6 protein, IODIDE ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-01
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
6Q0Z
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Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with JS28
分子名称: 2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide, Hdac6 protein, POTASSIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-02
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
1QGF
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PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3R, 4S)N-PARA-TOLUENESULPHONYL-3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE
分子名称: (2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ...
著者Wilmouth, R.C, Kassamally, S, Westwood, N.J, Sheppard, R.J, Claridge, T.D.W, Wright, P.A, Pritchard, G.J, Schofield, C.J.
登録日1999-04-27
公開日1999-12-29
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanistic insights into the inhibition of serine proteases by monocyclic lactams.
Biochemistry, 38, 1999
6PZO
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BU of 6pzo by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with YX-153
分子名称: Hdac6 protein, N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)pyridine-3-carboxamide, POTASSIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-01
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
6PZU
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BU of 6pzu by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with AP-1-62-A
分子名称: Hdac6 protein, N-[(benzyloxy)carbonyl]-L-leucyl-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-L-alaninamide, POTASSIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-01
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
5FPX
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BU of 5fpx by Molmil
The structure of KdgF from Yersinia enterocolitica.
分子名称: NICKEL (II) ION, PECTIN DEGRADATION PROTEIN, PEPTIDE
著者Hobbs, J.K, Lee, S.M, Robb, M, Hof, F, Barr, C, Abe, K.T, Hehemann, J.H, McLean, R, Abbott, D.W, Boraston, A.B.
登録日2015-12-03
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Kdgf, the Missing Link in the Microbial Metabolism of Uronate Sugars from Pectin and Alginate.
Proc.Natl.Acad.Sci.USA, 113, 2016
5HJA
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BU of 5hja by Molmil
Crystal structure of Leishmania mexicana arginase in complex with inhibitor ABHDP
分子名称: (R)-2-amino-6-borono-2-(1-(3,4-dichlorobenzyl)piperidin-4-yl)hexanoic acid, Arginase, GLYCEROL, ...
著者Hai, Y, Christianson, D.W.
登録日2016-01-13
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structures of Leishmania mexicana arginase complexed with alpha , alpha-disubstituted boronic amino-acid inhibitors.
Acta Crystallogr F Struct Biol Commun, 72, 2016
5HJ9
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Crystal structure of Leishmania mexicana arginase in complex with inhibitor ABHPE
分子名称: 1,2-ETHANEDIOL, Arginase, GLYCEROL, ...
著者Hai, Y, Christianson, D.W.
登録日2016-01-13
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Crystal structures of Leishmania mexicana arginase complexed with alpha , alpha-disubstituted boronic amino-acid inhibitors.
Acta Crystallogr F Struct Biol Commun, 72, 2016
6PTD
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BU of 6ptd by Molmil
PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C MUTANT H32L
分子名称: PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C
著者Heinz, D.W.
登録日1997-07-18
公開日1998-01-21
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Probing the roles of active site residues in phosphatidylinositol-specific phospholipase C from Bacillus cereus by site-directed mutagenesis.
Biochemistry, 36, 1997
5H6H
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BU of 5h6h by Molmil
Crystal Structure of Hyperthermophilic Thermotoga maritima L-Ribulose 3-Epimerase with Mn2+
分子名称: MANGANESE (II) ION, PENTAETHYLENE GLYCOL, TETRAETHYLENE GLYCOL, ...
著者Cao, T.-P, Choi, J.M, Shin, S.M, Le, D.W, Lee, S.H.
登録日2016-11-13
公開日2017-03-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.446 Å)
主引用文献TM0416, a Hyperthermophilic Promiscuous Nonphosphorylated Sugar Isomerase, Catalyzes Various C5and C6Epimerization Reactions
Appl. Environ. Microbiol., 83, 2017
5G2S
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BU of 5g2s by Molmil
Crystal structure of the Mo-insertase domain Cnx1E from Arabidopsis thaliana in complex with molybdate
分子名称: GLYCEROL, MAGNESIUM ION, MOLYBDATE ION, ...
著者Krausze, J, Probst, C, Kruse, T, Heinz, D.W, Mendel, R.R.
登録日2016-04-13
公開日2017-02-15
実験手法X-RAY DIFFRACTION (2.838 Å)
主引用文献Dimerization of the Plant Molybdenum Insertase Cnx1E is Required for Synthesis of the Molybdenum Cofactor.
Biochem.J., 474, 2017
5HDR
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BU of 5hdr by Molmil
Crystal structure of a bacterial fucosidase with iminocyclitol (2S,3S,4R,5S)-3,4-dihydroxy-2-ethynyl-5-methylpyrrolidine
分子名称: Alpha-L-fucosidase, IMIDAZOLE, SULFATE ION, ...
著者Wright, D.W, Davies, G.J.
登録日2016-01-05
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of a bacterial fucosidase with iminocyclitol (2S,3S,4R,5S)-3,4-dihydroxy-2-ethynyl-5-methylpyrrolidine
To Be Published
6PX9
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BU of 6px9 by Molmil
Crystal structure of procaspase-8 in complex with covalent small molecule inhibitor 63-R
分子名称: Caspase-8, N-{(3R)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-N-phenylacetamide
著者Xu, J.H, Wolan, D.W.
登録日2019-07-25
公開日2020-01-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Integrative X-ray Structure and Molecular Modeling for the Rationalization of Procaspase-8 Inhibitor Potency and Selectivity.
Acs Chem.Biol., 15, 2020
5FPZ
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BU of 5fpz by Molmil
The structure of KdgF from Yersinia enterocolitica with malonate bound in the active site.
分子名称: MALONIC ACID, NICKEL (II) ION, PECTIN DEGRADATION PROTEIN
著者Hobbs, J.K, Lee, S.M, Robb, M, Hof, F, Barr, C, Abe, K.T, Hehemann, J.H, McLean, R, Abbott, D.W, Boraston, A.B.
登録日2015-12-03
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Kdgf, the Missing Link in the Microbial Metabolism of Uronate Sugars from Pectin and Alginate.
Proc.Natl.Acad.Sci.USA, 113, 2016
6RCV
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BU of 6rcv by Molmil
PfRH5 bound to monoclonal antibodies R5.011 and R5.016
分子名称: R5.011 heavy chain, R5.011 light chain, R5.016 heavy chain, ...
著者Alanine, D.W.G, Draper, S.J, Higgins, M.K.
登録日2019-04-11
公開日2019-06-26
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (3.582 Å)
主引用文献Human Antibodies that Slow Erythrocyte Invasion Potentiate Malaria-Neutralizing Antibodies.
Cell, 178, 2019
6RCU
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BU of 6rcu by Molmil
PfRH5 bound to monoclonal antibodies R5.004 and R5.016
分子名称: R5.004 heavy chain, R5.004 light chain, R5.016 heavy chain, ...
著者Alanine, D.W.G, Draper, S.J, Higgins, M.K.
登録日2019-04-11
公開日2019-06-26
最終更新日2019-08-21
実験手法X-RAY DIFFRACTION (4.005 Å)
主引用文献Human Antibodies that Slow Erythrocyte Invasion Potentiate Malaria-Neutralizing Antibodies.
Cell, 178, 2019
5GZ0
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BU of 5gz0 by Molmil
Crystal structure of FM329, a recombinant Fab adopted from cetuximab
分子名称: FM329 heavy chain, FM329 light chain
著者Sim, D.W, Kim, J.H, Kim, Y.P, Won, H.S.
登録日2016-09-26
公開日2017-10-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of FM329, a recombinant Fab adopted from cetuximab
To Be Published
6RCQ
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BU of 6rcq by Molmil
PfRH5-binding monoclonal antibody R5.011
分子名称: ACETATE ION, CACODYLATE ION, R5.011 heavy chain, ...
著者Alanine, D.W.G, Draper, S.J, Higgins, M.K.
登録日2019-04-11
公開日2019-06-26
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Human Antibodies that Slow Erythrocyte Invasion Potentiate Malaria-Neutralizing Antibodies.
Cell, 178, 2019
6RCS
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BU of 6rcs by Molmil
PfRH5-binding monoclonal antibody R5.016
分子名称: ACETATE ION, R5.016 heavy chain, R5.016 light chain, ...
著者Alanine, D.W.G, Jamwal, A, Draper, S.J, Higgins, M.K.
登録日2019-04-11
公開日2019-06-26
最終更新日2019-08-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human Antibodies that Slow Erythrocyte Invasion Potentiate Malaria-Neutralizing Antibodies.
Cell, 178, 2019
3O2G
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BU of 3o2g by Molmil
Crystal Structure of Human gamma-butyrobetaine,2-oxoglutarate dioxygenase 1 (BBOX1)
分子名称: 1,2-ETHANEDIOL, 3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM, Gamma-butyrobetaine dioxygenase, ...
著者Krojer, T, Kochan, G, McDonough, M.A, von Delft, F, Leung, I.K.H, Henry, L, Claridge, T.D.W, Pilka, E, Ugochukwu, E, Muniz, J, Filippakopoulos, P, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2010-07-22
公開日2010-09-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural and mechanistic studies on gamma-butyrobetaine hydroxylase.
Chem. Biol., 17, 2010
5FQ0
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BU of 5fq0 by Molmil
The structure of KdgF from Halomonas sp.
分子名称: CITRATE ANION, KDGF, NICKEL (II) ION, ...
著者Hobbs, J.K, Lee, S.M, Robb, M, Hof, F, Barr, C, Abe, K.T, Hehemann, J.H, McLean, R, Abbott, D.W, Boraston, A.B.
登録日2015-12-03
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kdgf, the Missing Link in the Microbial Metabolism of Uronate Sugars from Pectin and Alginate.
Proc.Natl.Acad.Sci.USA, 113, 2016
5I76
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BU of 5i76 by Molmil
Crystal structure of FM318, a recombinant Fab adopted from cetuximab
分子名称: FM318_heavy_cahin, FM318_light_chain
著者Sim, D.W, Kim, J.H, Seok, S.H, Seo, M.D, Kim, Y.P, Won, H.S.
登録日2016-02-16
公開日2016-12-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.922 Å)
主引用文献Bacterial production and structure-functional validation of a recombinant antigen-binding fragment (Fab) of an anti-cancer therapeutic antibody targeting epidermal growth factor receptor.
Appl.Microbiol.Biotechnol., 100, 2016
5G2R
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BU of 5g2r by Molmil
Crystal structure of the Mo-insertase domain Cnx1E from Arabidopsis thaliana
分子名称: GLYCEROL, MAGNESIUM ION, MOLYBDOPTERIN BIOSYNTHESIS PROTEIN CNX1, ...
著者Krausze, J, Saha, S, Probst, C, Kruse, T, Heinz, D.W, Mendel, R.R.
登録日2016-04-13
公開日2017-02-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Dimerization of the Plant Molybdenum Insertase Cnx1E is Required for Synthesis of the Molybdenum Cofactor.
Biochem.J., 474, 2017
5IMP
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BU of 5imp by Molmil
Crystal structure of N299A Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium
分子名称: (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ...
著者Chen, M, Christianson, D.W.
登録日2016-03-06
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.038 Å)
主引用文献Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase.
Biochemistry, 55, 2016

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