3FKV
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![BU of 3fkv by Molmil](/molmil-images/mine/3fkv) | 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
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3ITA
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![BU of 3ita by Molmil](/molmil-images/mine/3ita) | 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
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3IT9
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![BU of 3it9 by Molmil](/molmil-images/mine/3it9) | 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
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3ITB
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![BU of 3itb by Molmil](/molmil-images/mine/3itb) | 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
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3G34
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![BU of 3g34 by Molmil](/molmil-images/mine/3g34) | 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
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2FFY
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![BU of 2ffy by Molmil](/molmil-images/mine/2ffy) | 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
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3FN3
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![BU of 3fn3 by Molmil](/molmil-images/mine/3fn3) | 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
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5GTD
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![BU of 5gtd by Molmil](/molmil-images/mine/5gtd) | |
5GTM
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![BU of 5gtm by Molmil](/molmil-images/mine/5gtm) | 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
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6KI3
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![BU of 6ki3 by Molmil](/molmil-images/mine/6ki3) | 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
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5X8F
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![BU of 5x8f by Molmil](/molmil-images/mine/5x8f) | |
5X8G
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![BU of 5x8g by Molmil](/molmil-images/mine/5x8g) | |
5VAE
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![BU of 5vae by Molmil](/molmil-images/mine/5vae) | |
5VAF
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![BU of 5vaf by Molmil](/molmil-images/mine/5vaf) | |
1MIC
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![BU of 1mic by Molmil](/molmil-images/mine/1mic) | |
5BUS
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![BU of 5bus by Molmil](/molmil-images/mine/5bus) | 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
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5BUQ
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![BU of 5buq by Molmil](/molmil-images/mine/5buq) | 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
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5YPS
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![BU of 5yps by Molmil](/molmil-images/mine/5yps) | 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
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3TOJ
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![BU of 3toj by Molmil](/molmil-images/mine/3toj) | 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
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6K28
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![BU of 6k28 by Molmil](/molmil-images/mine/6k28) | 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
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6JYY
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![BU of 6jyy by Molmil](/molmil-images/mine/6jyy) | 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
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5ZB5
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![BU of 5zb5 by Molmil](/molmil-images/mine/5zb5) | 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
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1J48
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![BU of 1j48 by Molmil](/molmil-images/mine/1j48) | 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
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7UL1
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![BU of 7ul1 by Molmil](/molmil-images/mine/7ul1) | 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
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7UL0
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![BU of 7ul0 by Molmil](/molmil-images/mine/7ul0) | 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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