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3FKV
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BU of 3fkv by Molmil
AmpC K67R mutant complexed with benzo(b)thiophene-2-boronic acid (bzb)
Descriptor: BENZO[B]THIOPHENE-2-BORONIC ACID, Beta-lactamase, PHOSPHATE ION, ...
Authors:Chen, Y, McReynolds, A, Shoichet, B.K.
Deposit date:2008-12-17
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.847 Å)
Cite:Re-examining the role of Lys67 in class C beta-lactamase catalysis.
Protein Sci., 18, 2009
3ITA
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BU of 3ita by Molmil
Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in acyl-enzyme complex with ampicillin
Descriptor: (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, D-alanyl-D-alanine carboxypeptidase dacC, ...
Authors:Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K.
Deposit date:2009-08-27
Release date:2009-10-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of penicillin-binding protein 6 from Escherichia coli.
J.Am.Chem.Soc., 131, 2009
3IT9
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BU of 3it9 by Molmil
Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in apo state
Descriptor: D-alanyl-D-alanine carboxypeptidase dacC, SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K.
Deposit date:2009-08-27
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of penicillin-binding protein 6 from Escherichia coli.
J.Am.Chem.Soc., 131, 2009
3ITB
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BU of 3itb by Molmil
Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in complex with a substrate fragment
Descriptor: D-alanyl-D-alanine carboxypeptidase DacC, Peptidoglycan substrate (AMV)A(FGA)K(DAL)(DAL), SULFATE ION, ...
Authors:Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K.
Deposit date:2009-08-27
Release date:2009-10-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of penicillin-binding protein 6 from Escherichia coli.
J.Am.Chem.Soc., 131, 2009
3G34
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BU of 3g34 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 11 (1CE)
Descriptor: 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE, ...
Authors:Chen, Y, Shoichet, B.K.
Deposit date:2009-02-01
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
2FFY
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BU of 2ffy by Molmil
AmpC beta-lactamase N289A mutant in complex with a boronic acid deacylation transition state analog compound SM3
Descriptor: (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION, ...
Authors:Chen, Y, Minasov, G, Roth, T.A, Prati, F, Shoichet, B.K.
Deposit date:2005-12-20
Release date:2006-03-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:The deacylation mechanism of AmpC beta-lactamase at ultrahigh resolution
J.Am.Chem.Soc., 128, 2006
3FN3
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BU of 3fn3 by Molmil
Dimeric Structure of PD-L1
Descriptor: Programmed cell death 1 ligand 1
Authors:Chen, Y, Gao, F, Liu, P, Chu, F, Qi, J, Gao, G.F.
Deposit date:2008-12-23
Release date:2009-12-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A dimeric structure of PD-L1: functional units or evolutionary relics?
Protein Cell, 1, 2010
5GTD
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BU of 5gtd by Molmil
o-Succinylbenzoate CoA Synthetase (MenE) from Bacillus Subtilis in Complex with the Acyl-adenylate Intermediate OSB-AMP
Descriptor: 2-SUCCINYLBENZOATE, 2-succinylbenzoate--CoA ligase, ADENOSINE MONOPHOSPHATE, ...
Authors:Chen, Y, Guo, Z.
Deposit date:2016-08-20
Release date:2017-01-04
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Mechanistic Insights from the Crystal Structure of Bacillus subtilis o-Succinylbenzoyl-CoA Synthetase Complexed with the Adenylate Intermediate
Biochemistry, 55, 2016
5GTM
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BU of 5gtm by Molmil
Modified human MxA, nucleotide-free form
Descriptor: Interferon-induced GTP-binding protein Mx1
Authors:Chen, Y, Gao, S.
Deposit date:2016-08-22
Release date:2017-05-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.896 Å)
Cite:Conformational dynamics of dynamin-like MxA revealed by single-molecule FRET
Nat Commun, 8, 2017
6KI3
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BU of 6ki3 by Molmil
The crystal structure of AsfvAP:dF commplex
Descriptor: DNA (5'-D(*CP*CP*TP*CP*GP*TP*CP*GP*GP*GP*GP*AP*CP*GP*CP*TP*G)-3'), DNA (5'-D(*GP*CP*AP*GP*CP*GP*TP*CP*C)-3'), DNA (5'-D(P*(3DR)P*CP*GP*AP*CP*GP*AP*G)-3'), ...
Authors:Chen, Y, Gan, J.
Deposit date:2019-07-17
Release date:2020-05-27
Method:X-RAY DIFFRACTION (2.354 Å)
Cite:A unique DNA-binding mode of African swine fever virus AP endonuclease.
Cell Discov, 6, 2020
5X8F
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BU of 5x8f by Molmil
Ternary complex structure of a double mutant I454RA456K of o-Succinylbenzoate CoA Synthetase (MenE) from Bacillus Subtilis bound with AMP and its product analogue OSB-NCoA at 1.76 angstrom
Descriptor: 2-succinylbenzoate--CoA ligase, ADENOSINE MONOPHOSPHATE, CALCIUM ION, ...
Authors:Chen, Y, Guo, Z.
Deposit date:2017-03-02
Release date:2017-06-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.763 Å)
Cite:Crystal structure of the thioesterification conformation of Bacillus subtilis o-succinylbenzoyl-CoA synthetase reveals a distinct substrate-binding mode
J. Biol. Chem., 292, 2017
5X8G
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BU of 5x8g by Molmil
Binary complex structure of a double mutant I454RA456K of o-Succinylbenzoate CoA Synthetase (MenE) from Bacillus Subtilis bound with its product analogue OSB-NCoA at 1.90 angstrom
Descriptor: 2-succinylbenzoate--CoA ligase, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Chen, Y, Guo, Z.
Deposit date:2017-03-02
Release date:2017-06-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the thioesterification conformation of Bacillus subtilis o-succinylbenzoyl-CoA synthetase reveals a distinct substrate-binding mode
J. Biol. Chem., 292, 2017
5VAE
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BU of 5vae by Molmil
Crystal structure of accessory secretion protein 1 and 3
Descriptor: Accessory Sec system protein Asp1, Accessory Sec system protein Asp3
Authors:Chen, Y, Rapoport, T.A, Jeffrey, P.D.
Deposit date:2017-03-25
Release date:2018-02-21
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (3.106 Å)
Cite:Unraveling the sequence of cytosolic reactions in the export of GspB adhesin fromStreptococcus gordonii.
J. Biol. Chem., 293, 2018
5VAF
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BU of 5vaf by Molmil
Crystal structure of accessory secretion protein 1
Descriptor: Accessory Sec system protein Asp1
Authors:Chen, Y, Rapoport, T.A, Jeffrey, P.D.
Deposit date:2017-03-25
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.771 Å)
Cite:Unraveling the sequence of cytosolic reactions in the export of GspB adhesin fromStreptococcus gordonii.
J. Biol. Chem., 293, 2018
1MIC
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BU of 1mic by Molmil
GRAMICIDIN A: LEFT-HANDED PARALLEL DOUBLE HELICAL FORM IN METHANOL IN THE PRESENCE OF CACL2, NMR, 20 STRUCTURES
Descriptor: GRAMICIDIN A
Authors:Chen, Y, Tucker, A, Wallace, B.A.
Deposit date:1996-05-22
Release date:1997-02-12
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Solution Structure of a Parallel Left-Handed Double-Helical Gramicidin-A Determined by 2D 1H NMR.
J.Mol.Biol., 264, 1996
5BUS
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BU of 5bus by Molmil
O-succinylbenzoate Coenzyme A Synthetase (MenE) from Bacillus Subtilis, in complex with AMP
Descriptor: 2-succinylbenzoate--CoA ligase, ADENOSINE MONOPHOSPHATE, CHLORIDE ION
Authors:Chen, Y, Sun, Y, Song, H, Guo, Z.
Deposit date:2015-06-04
Release date:2015-08-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Structural Basis for the ATP-dependent Configuration of Adenylation Active Site in Bacillus subtilis o-Succinylbenzoyl-CoA Synthetase
J.Biol.Chem., 290, 2015
5BUQ
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BU of 5buq by Molmil
Unliganded Form of O-succinylbenzoate Coenzyme A Synthetase (MenE) from Bacillus Subtilis, Solved at 1.98 Angstroms
Descriptor: 2-succinylbenzoate--CoA ligase, ACETATE ION, CALCIUM ION
Authors:Chen, Y, Sun, Y, Song, H, Guo, Z.
Deposit date:2015-06-04
Release date:2015-08-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural Basis for the ATP-dependent Configuration of Adenylation Active Site in Bacillus subtilis o-Succinylbenzoyl-CoA Synthetase
J.Biol.Chem., 290, 2015
5YPS
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BU of 5yps by Molmil
The structural basis of histone chaperoneVps75
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Chen, Y, Zhang, Y, Dou, Y, Wang, M, Xu, S, Jiang, H, Limper, A, Su, D.
Deposit date:2017-11-03
Release date:2018-11-07
Last modified:2020-06-10
Method:X-RAY DIFFRACTION (2.097 Å)
Cite:Structural basis for the acetylation of histone H3K9 and H3K27 mediated by the histone chaperone Vps75 inPneumocystis carinii.
Signal Transduct Target Ther, 4, 2019
3TOJ
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BU of 3toj by Molmil
Structure of the SPRY domain of human Ash2L
Descriptor: Set1/Ash2 histone methyltransferase complex subunit ASH2
Authors:Chen, Y, Cao, F, Wan, B, Dou, Y, Lei, M.
Deposit date:2011-09-05
Release date:2012-01-25
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure of the SPRY domain of human Ash2L and its interactions with RbBP5 and DPY30.
Cell Res., 22, 2012
6K28
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BU of 6k28 by Molmil
Crystal structure of the 5-(Hydroxyethyl)-methylthiazole Kinase ThiM from Klebsiella pneumonia in complex with TZE
Descriptor: 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, Hydroxyethylthiazole kinase, MAGNESIUM ION
Authors:Chen, Y, Wang, L, Shang, F, Lan, J, Liu, W, Xu, Y.
Deposit date:2019-05-13
Release date:2019-07-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Structural insight of the 5-(Hydroxyethyl)-methylthiazole kinase ThiM involving vitamin B1 biosynthetic pathway from the Klebsiella pneumoniae.
Biochem.Biophys.Res.Commun., 518, 2019
6JYY
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BU of 6jyy by Molmil
Crystal structure of the 5-(Hydroxyethyl)-methylthiazole Kinase ThiM from Klebsiella pneumonia
Descriptor: Hydroxyethylthiazole kinase
Authors:Chen, Y, Wang, L, Shang, F, Lan, J, Liu, W, Xu, Y.
Deposit date:2019-04-29
Release date:2019-06-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insight of the 5-(Hydroxyethyl)-methylthiazole kinase ThiM involving vitamin B1 biosynthetic pathway from the Klebsiella pneumoniae.
Biochem.Biophys.Res.Commun., 518, 2019
5ZB5
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BU of 5zb5 by Molmil
The structural basis of histone chaperoneVps75
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, NAP family histone chaperone vps75
Authors:Chen, Y, Zhang, Y, Dou, Y, Wang, M, Xu, S, Jiang, H, Limper, A, Su, D.
Deposit date:2018-02-09
Release date:2019-02-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Structural basis for the acetylation of histone H3K9 and H3K27 mediated by the histone chaperone Vps75 inPneumocystis carinii.
Signal Transduct Target Ther, 4, 2019
1J48
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BU of 1j48 by Molmil
Crystal Structure of Apo-C1027
Descriptor: Apoprotein of C1027
Authors:Chen, Y, Li, J, Liu, Y, Bartlam, M, Gao, Y, Jin, L, Tang, H, Shao, Y, Zhen, Y, Rao, Z.
Deposit date:2001-07-30
Release date:2003-06-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Apo-C1027 and Computer Modeling Analysis of C1027 Chromophore- Protein Complex
To be published
7UL1
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BU of 7ul1 by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with the neutralizing IGHV3-53-encoded antibody EH3 isolated from a nonvaccinated pediatric patient
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of EH3, Light chain of EH3, ...
Authors:Chen, Y, Tolbert, W.D, Pazgier, M.
Deposit date:2022-04-03
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Molecular basis for antiviral activity of two pediatric neutralizing antibodies targeting SARS-CoV-2 Spike RBD.
Iscience, 26, 2023
7UL0
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BU of 7ul0 by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with the ridge-binding nAb EH8 isolated from a nonvaccinated pediatric patient
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of EH8, ...
Authors:Chen, Y, Tolbert, W.D, Bai, X, Pazgier, M.
Deposit date:2022-04-03
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Molecular basis for antiviral activity of two pediatric neutralizing antibodies targeting SARS-CoV-2 Spike RBD.
Iscience, 26, 2023

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