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2JWU
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BU of 2jwu by Molmil
Solution NMR structures of two designed proteins with 88% sequence identity but different fold and function
Descriptor: Gb88
Authors:He, Y, Chen, Y, Alexander, P, Bryan, P, Orban, J.
Deposit date:2007-10-25
Release date:2008-09-09
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR structures of two designed proteins with high sequence identity but different fold and function
Proc.Natl.Acad.Sci.Usa, 105, 2008
3V35
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BU of 3v35 by Molmil
Aldose reductase complexed with a nitro compound
Descriptor: 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate, Aldose reductase, DIMETHYLFORMAMIDE, ...
Authors:Zheng, X, Zhang, L, Chen, Y, Luo, H, Hu, X.
Deposit date:2011-12-13
Release date:2012-08-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Partial inhibition of aldose reductase by nitazoxanide and its molecular basis.
Chemmedchem, 7, 2012
3V36
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BU of 3v36 by Molmil
Aldose reductase complexed with glceraldehyde
Descriptor: Aldose reductase, D-Glyceraldehyde, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zheng, X, Zhang, L, Chen, Y, Luo, H, Hu, X.
Deposit date:2011-12-13
Release date:2012-08-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Partial inhibition of aldose reductase by nitazoxanide and its molecular basis.
Chemmedchem, 7, 2012
2KDM
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BU of 2kdm by Molmil
NMR structures of GA95 and GB95, two designed proteins with 95% sequence identity but different folds and functions
Descriptor: DESIGNED PROTEIN
Authors:He, Y, Alexander, P, Chen, Y, Bryan, P, Orban, J.
Deposit date:2009-01-12
Release date:2009-12-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:From the Cover: A minimal sequence code for switching protein structure and function.
Proc.Natl.Acad.Sci.USA, 106, 2009
1C76
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BU of 1c76 by Molmil
STAPHYLOKINASE (SAK) MONOMER
Descriptor: STAPHYLOKINASE
Authors:Rao, Z, Jiang, F, Liu, Y, Zhang, X, Chen, Y, Bartlam, M, Song, H, Ding, Y.
Deposit date:2000-02-01
Release date:2000-08-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of Staphylokinase Dimer Offers New Clue to Reduction of Immunogenicity
To be published
2KDL
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BU of 2kdl by Molmil
NMR structures of GA95 and GB95, two designed proteins with 95% sequence identity but different folds and functions
Descriptor: designed protein
Authors:He, Y, Alexander, P, Chen, Y, Bryan, P, Orban, J.
Deposit date:2009-01-12
Release date:2009-12-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A minimal sequence code for switching protein structure and function.
Proc.Natl.Acad.Sci.USA, 106, 2009
3AIH
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BU of 3aih by Molmil
Human OS-9 MRH domain complexed with alpha3,alpha6-Man5
Descriptor: Protein OS-9, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose
Authors:Satoh, T, Chen, Y, Hu, D, Hanashima, S, Yamamoto, K, Yamaguchi, Y.
Deposit date:2010-05-14
Release date:2010-12-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Oligosaccharide Recognition of Misfolded Glycoproteins by OS-9 in ER-Associated Degradation
Mol.Cell, 40, 2010
2JWS
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BU of 2jws by Molmil
Solution NMR structures of two designed proteins with 88% sequence identity but different fold and function
Descriptor: Ga88
Authors:He, Y, Chen, Y, Alexander, P, Bryan, P, Orban, J.
Deposit date:2007-10-24
Release date:2008-09-09
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:NMR structures of two designed proteins with high sequence identity but different fold and function
Proc.Natl.Acad.Sci.Usa, 105, 2008
2LHE
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BU of 2lhe by Molmil
Gb98-T25I,L20A
Descriptor: Gb98
Authors:He, Y, Chen, Y, Alexander, P, Bryan, P, Orban, J.
Deposit date:2011-08-08
Release date:2012-02-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Mutational tipping points for switching protein folds and functions.
Structure, 20, 2012
2LHG
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BU of 2lhg by Molmil
GB98-T25I solution structure
Descriptor: GB98
Authors:He, Y, Chen, Y, Alexander, P, Bryan, P, Orban, J.
Deposit date:2011-08-08
Release date:2012-02-29
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Mutational tipping points for switching protein folds and functions.
Structure, 20, 2012
6D16
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BU of 6d16 by Molmil
Crystal structure of KPC-2 complexed with compound 2
Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
2LAS
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BU of 2las by Molmil
Molecular Determinants of Paralogue-Specific SUMO-SIM Recognition
Descriptor: M-IR2_peptide, Small ubiquitin-related modifier 1
Authors:Namanja, A, Li, Y, Su, Y, Wong, S, Lu, J, Colson, L, Wu, C, Li, S, Chen, Y.
Deposit date:2011-03-20
Release date:2011-12-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Insights into High Affinity Small Ubiquitin-like Modifier (SUMO) Recognition by SUMO-interacting Motifs (SIMs) Revealed by a Combination of NMR and Peptide Array Analysis.
J.Biol.Chem., 287, 2012
6CSV
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BU of 6csv by Molmil
The structure of the Cep63-Cep152 heterotetrameric complex
Descriptor: Centrosomal protein of 63 kDa,Centrosomal protein of 152 kDa
Authors:Lee, E, Chen, Y, Zhang, L, Kim, T.S, Ahn, J.I, Park, J.E, Lee, K.S.
Deposit date:2018-03-21
Release date:2019-03-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular architecture of a cylindrical self-assembly at human centrosomes.
Nat Commun, 10, 2019
6CSU
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BU of 6csu by Molmil
The structure of the Cep63-Cep152 heterotetrameric complex
Descriptor: Centrosomal protein of 152 kDa, Centrosomal protein of 63 kDa
Authors:Lee, E, Chen, Y, Zhang, L, Kim, T.S, Ahn, J.I, Park, J.E, Lee, K.S.
Deposit date:2018-03-21
Release date:2019-03-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular architecture of a cylindrical self-assembly at human centrosomes.
Nat Commun, 10, 2019
6D1A
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BU of 6d1a by Molmil
Crystal structure of NDM-1 complexed with compound 1
Descriptor: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.25 Å)
Cite: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
Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5-bromo-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D7I
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BU of 6d7i by Molmil
CTX-M-14 Apoenzyme D233N Point Mutant
Descriptor: Beta-lactamase
Authors:Kemp, M, Nichols, D, Chen, Y.
Deposit date:2018-04-24
Release date:2019-07-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:The Role of Asp-Asp Short Hydrogen Bond in Maintaining Active Site Integrity of CTX-M Beta-Lactamase
To be Published
6D7H
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BU of 6d7h by Molmil
CTX-M-14 Apoenzyme
Descriptor: Beta-lactamase, PHOSPHATE ION, POTASSIUM ION
Authors:Kemp, M, Nichols, D, Chen, Y.
Deposit date:2018-04-24
Release date:2019-07-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:The Role of Asp-Asp Short Hydrogen Bond in Maintaining Active Site Integrity of CTX-M Beta-Lactamase
To be Published
6DD0
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BU of 6dd0 by Molmil
Crystal structure of VIM-2 complexed with compound 8
Descriptor: ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-05-08
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
8E2B
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BU of 8e2b by Molmil
N-terminal domain of S. aureus GpsB
Descriptor: Cell cycle protein GpsB, GLYCEROL
Authors:Sacco, M, Chen, Y.
Deposit date:2022-08-14
Release date:2023-08-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Staphylococcus aureus FtsZ and PBP4 bind to the conformationally dynamic N-terminal domain of GpsB.
Elife, 13, 2024
8E2C
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BU of 8e2c by Molmil
N-terminal domain of S. aureus GpsB in complex with PBP4 fragment
Descriptor: Cell cycle protein GpsB, PBP4
Authors:Sacco, M, Chen, Y.
Deposit date:2022-08-14
Release date:2023-08-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Staphylococcus aureus FtsZ and PBP4 bind to the conformationally dynamic N-terminal domain of GpsB.
Elife, 13, 2024
6D17
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BU of 6d17 by Molmil
Crystal structure of KPC-2 complexed with compound 3
Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(6-oxo-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6DD1
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BU of 6dd1 by Molmil
Crystal structure of VIM-2 complexed with compound 14
Descriptor: ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-05-08
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
8FIV
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BU of 8fiv by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10541R
Descriptor: (3Z)-N-([1,1'-biphenyl]-4-yl)-3-imino-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]propanamide, 3C-like proteinase nsp5
Authors:Sacco, M, Wang, J, Chen, Y.
Deposit date:2022-12-16
Release date:2023-08-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Exploring diverse reactive warheads for the design of SARS-CoV-2 main protease inhibitors.
Eur.J.Med.Chem., 259, 2023

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