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6D1C
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BU of 6d1c by Molmil
Crystal structure of NDM-1 complexed with compound 3
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1G
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BU of 6d1g by Molmil
Crystal structure of NDM-1 complexed with compound 9
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1J
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BU of 6d1j by Molmil
Crystal structure of NDM-1 complexed with compound 13
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D19
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BU of 6d19 by Molmil
Crystal structure of KPC-2 complexed with compound 9
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5-bromo-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D17
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BU of 6d17 by Molmil
Crystal structure of KPC-2 complexed with compound 3
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(6-oxo-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D18
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BU of 6d18 by Molmil
Crystal structure of KPC-2 complexed with compound 6
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6DD0
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BU of 6dd0 by Molmil
Crystal structure of VIM-2 complexed with compound 8
分子名称: ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-05-08
公開日2019-05-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
1LOF
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BU of 1lof by Molmil
X-RAY STRUCTURE OF A BIANTENNARY OCTASACCHARIDE-LECTIN COMPLEX AT 2.3 ANGSTROMS RESOLUTION
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose, CALCIUM ION, LEGUME ISOLECTIN I (ALPHA CHAIN), ...
著者Bourne, Y, Cambillau, C.
登録日1993-01-27
公開日1994-04-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-ray structure of a biantennary octasaccharide-lectin complex refined at 2.3-A resolution.
J.Biol.Chem., 267, 1992
4AYL
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BU of 4ayl by Molmil
Molecular structure of a metal-independent bacterial glycosyltransferase that catalyzes the synthesis of histo-blood group A antigen
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BOGT-METAL-INDEPENDENT GLYCOSYLTRANSFERASE, CALCIUM ION, ...
著者Thiyagarajan, N, Pham, T.T.K, Stinsonb, B, Sundriyala, A, Tumbale, P, Lizotte-Waniewskib, M, Brewb, K, Acharya, K.R.
登録日2012-06-21
公開日2012-12-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.919 Å)
主引用文献Structure of a Metal-Independent Bacterial Glycosyltransferase that Catalyzes the Synthesis of Histo-Blood Group a Antigen
Sci.Rep., 2, 2012
1K2I
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BU of 1k2i by Molmil
Crystal Structure of Gamma-Chymotrypsin in Complex with 7-Hydroxycoumarin
分子名称: 2,4-DIHYDROXY-TRANS CINNAMIC ACID, CHYMOTRYPSINOGEN A, SULFATE ION
著者Ghani, U, Ng, K.K.S, Atta-ur-Rahman, Choudhary, M.I, Ullah, N, James, M.N.G.
登録日2001-09-27
公開日2001-12-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of gamma-chymotrypsin in complex with 7-hydroxycoumarin.
J.Mol.Biol., 314, 2001
2MM3
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BU of 2mm3 by Molmil
Solution NMR structure of the ternary complex of human ileal bile acid-binding protein with glycocholate and glycochenodeoxycholate
分子名称: GLYCOCHENODEOXYCHOLIC ACID, GLYCOCHOLIC ACID, Gastrotropin
著者Horvath, G, Egyed, O, Bencsura, A, Simon, A, Tochtrop, G.P, DeKoster, G.T, Covey, D.F, Cistola, D.P, Toke, O.
登録日2014-03-07
公開日2014-05-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural determinants of ligand binding in the ternary complex of human ileal bile acid binding protein with glycocholate and glycochenodeoxycholate obtained from solution NMR
FEBS J., 283, 2016
2VH0
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BU of 2vh0 by Molmil
Structure and property based design of factor Xa inhibitors:biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs
分子名称: 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ...
著者Young, R.J, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chan, C, Charbaut, M, Convery, M.A, Diallo, H, Hortense, E, Irving, W.R, Kelly, H.A, King, N.P, Kleanthous, S, Mason, A.M, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Zhou, P.
登録日2007-11-16
公開日2008-11-25
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and property based design of factor Xa inhibitors: biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs.
Bioorg. Med. Chem. Lett., 18, 2008
1MVS
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BU of 1mvs by Molmil
Analysis of Two Polymorphic Forms of a Pyrido[2,3-d]pyrimidine N9-C10 Reverse-Bridge Antifolate Binary Complex with Human Dihydrofolate Reductase
分子名称: 2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE, Dihydrofolate Reductase, SULFATE ION
著者Cody, V, Galitsky, N, Luft, J.R, Pangborn, W.A, Gangjee, A.
登録日2002-09-26
公開日2003-04-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Analysis of two polymorphic forms of a pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolate binary complex with human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 59, 2003
6D1D
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BU of 6d1d by Molmil
Crystal structure of NDM-1 complexed with compound 6
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1I
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BU of 6d1i by Molmil
Crystal structure of NDM-1 complexed with compound 12
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
3S52
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BU of 3s52 by Molmil
Crystal structure of a putative fumarylacetoacetate hydrolase family protein from Yersinia pestis CO92
分子名称: CHLORIDE ION, Putative fumarylacetoacetate hydrolase family protein, SULFATE ION
著者Nocek, B, Zhou, M, Grimshaw, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-05-20
公開日2011-06-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.012 Å)
主引用文献Crystal structure of a putative fumarylacetoacetate hydrolase family protein from Yersinia pestis CO92
TO BE PUBLISHED
4NBQ
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BU of 4nbq by Molmil
Structure of the polynucleotide phosphorylase (CBU_0852) from Coxiella burnetii
分子名称: Polyribonucleotide nucleotidyltransferase, SULFATE ION
著者Rudolph, M.J, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日2013-10-23
公開日2015-06-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.9138 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
2VTF
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BU of 2vtf by Molmil
X-ray crystal structure of the Endo-beta-N-acetylglucosaminidase from Arthrobacter protophormiae E173Q mutant reveals a TIM barrel catalytic domain and two ancillary domains
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ENDO-BETA-N-ACETYLGLUCOSAMINIDASE, TRIETHYLENE GLYCOL
著者Ling, Z, Bingham, R.J, Suits, M.D.L, Moir, J.W.B, Fairbanks, A.J, Taylor, E.J.
登録日2008-05-14
公開日2009-03-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献The X-Ray Crystal Structure of an Arthrobacter Protophormiae Endo-Beta-N-Acetylglucosaminidase Reveals a (Beta/Alpha)(8) Catalytic Domain, Two Ancillary Domains and Active Site Residues Key for Transglycosylation Activity.
J.Mol.Biol., 389, 2009
6D1A
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BU of 6d1a by Molmil
Crystal structure of NDM-1 complexed with compound 1
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
4AYJ
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BU of 4ayj by Molmil
Molecular structure of a metal-independent bacterial glycosyltransferase that catalyzes the synthesis of histo-blood group A antigen
分子名称: BOGT - METAL-INDEPENDENT GLYCOSYLTRANSFERASE, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Thiyagarajan, N, Pham, T.T.K, Stinson, B, Sundriyal, A, Tumbale, P, Lizotte-Waniewskib, M, Brewb, K, Acharya, K.R.
登録日2012-06-21
公開日2012-12-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of a Metal-Independent Bacterial Glycosyltransferase that Catalyzes the Synthesis of Histo-Blood Group a Antigen
Sci.Rep., 2, 2012
6DD1
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BU of 6dd1 by Molmil
Crystal structure of VIM-2 complexed with compound 14
分子名称: ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-05-08
公開日2019-05-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1E
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BU of 6d1e by Molmil
Crystal structure of NDM-1 complexed with compound 7
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1K
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BU of 6d1k by Molmil
Crystal structure of NDM-1 complexed with compound 14
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
3ZTA
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BU of 3zta by Molmil
The bacterial stressosome: a modular system that has been adapted to control secondary messenger signaling
分子名称: ANTI-SIGMA-FACTOR ANTAGONIST (STAS) DOMAIN PROTEIN
著者Quin, M.B, Berrisford, J.M, Newman, J.A, Basle, A, Lewis, R.J, Marles-Wright, J.
登録日2011-07-06
公開日2012-02-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Bacterial Stressosome: A Modular System that Has Been Adapted to Control Secondary Messenger Signaling.
Structure, 20, 2012
1RKL
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BU of 1rkl by Molmil
NMR structure of yeast oligosaccharyltransferase subunit Ost4p
分子名称: Dolichyl-diphosphooligosaccharide--protein glycosyltransferase 4 kDa subunit
著者Zubkov, S, Lennarz, W.J, Mohanty, S.
登録日2003-11-21
公開日2004-03-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural basis for the function of a minimembrane protein subunit of yeast oligosaccharyltransferase
Proc.Natl.Acad.Sci.USA, 101, 2004

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