8IQL
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![BU of 8iql by Molmil](/molmil-images/mine/8iql) | Structural basis of the specificity and interaction mechanism of Bmf binding to pro-survival proteins | Descriptor: | Apoptosis regulator Bcl-2, Bcl-2-modifying factor | Authors: | Wang, H, Guo, M, Wei, H, Chen, Y. | Deposit date: | 2023-03-16 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.9577 Å) | Cite: | Structural basis of the specificity and interaction mechanism of Bmf binding to pro-survival Bcl-2 family proteins. Comput Struct Biotechnol J, 21, 2023
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6UNB
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![BU of 6unb by Molmil](/molmil-images/mine/6unb) | Crystal structure of CTX-M-14 in complex with temocillin | Descriptor: | (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid, Beta-lactamase, PHOSPHATE ION | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2019-10-11 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase. Antimicrob.Agents Chemother., 64, 2019
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8HYN
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![BU of 8hyn by Molmil](/molmil-images/mine/8hyn) | Bacterial STING from Riemerella anatipestifer | Descriptor: | CD-NTase-associated protein 12, TETRAETHYLENE GLYCOL | Authors: | Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y. | Deposit date: | 2023-01-07 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.089 Å) | Cite: | Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING. Nat Commun, 14, 2023
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8HWJ
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![BU of 8hwj by Molmil](/molmil-images/mine/8hwj) | Bacterial STING from Epilithonimonas lactis in complex with 3'3'-c-di-AMP | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, CD-NTase-associated protein 12 | Authors: | Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y. | Deposit date: | 2022-12-30 | Release date: | 2024-01-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.553 Å) | Cite: | Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING. Nat Commun, 14, 2023
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8HWI
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![BU of 8hwi by Molmil](/molmil-images/mine/8hwi) | Bacterial STING from Larkinella arboricola in complex with 3'3'-c-di-GMP | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CD-NTase-associated protein 12 | Authors: | Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y. | Deposit date: | 2022-12-30 | Release date: | 2024-01-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING. Nat Commun, 14, 2023
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8HY8
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![BU of 8hy8 by Molmil](/molmil-images/mine/8hy8) | Bacterial STING from Epilithonimonas lactis | Descriptor: | CD-NTase-associated protein 12 | Authors: | Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y. | Deposit date: | 2023-01-06 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.568 Å) | Cite: | Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING. Nat Commun, 14, 2023
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8HY9
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![BU of 8hy9 by Molmil](/molmil-images/mine/8hy9) | Bacterial STING from Riemerella anatipestifer in complex with 3'3'-c-di-GMP | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, CD-NTase-associated protein 12 | Authors: | Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y. | Deposit date: | 2023-01-06 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.462 Å) | Cite: | Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING. Nat Commun, 14, 2023
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1ZKL
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![BU of 1zkl by Molmil](/molmil-images/mine/1zkl) | Multiple Determinants for Inhibitor Selectivity of Cyclic Nucleotide Phosphodiesterases | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, High-affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, MAGNESIUM ION, ... | Authors: | Wang, H, Liu, Y, Chen, Y, Robinson, H, Ke, H. | Deposit date: | 2005-05-03 | Release date: | 2005-07-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Multiple elements jointly determine inhibitor selectivity of cyclic nucleotide phosphodiesterases 4 and 7 J.Biol.Chem., 280, 2005
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8J0H
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6VNU
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![BU of 6vnu by Molmil](/molmil-images/mine/6vnu) | X-ray Crystal Structure of Ruthenocenyl-7-Aminocephalosporanic Acid Covalent Acyl-Enzyme Complex with CTX-M-14 E166A Beta-Lactamase | Descriptor: | Beta-lactamase, POTASSIUM ION, [(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methylidene-5,6-dihydro-2H-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium, ... | Authors: | Lewandowski, E.M, Jacobs, L.M.C, Chen, Y. | Deposit date: | 2020-01-29 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Metallocenyl 7-ACA Conjugates: Antibacterial Activity Studies and Atomic-Resolution X-ray Crystal Structure with CTX-M beta-Lactamase. Chembiochem, 21, 2020
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6V7I
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![BU of 6v7i by Molmil](/molmil-images/mine/6v7i) | Structure of KPC-2 bound to Vaborbactam at 1.25 A | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, SULFATE ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2019-12-08 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structural Basis and Binding Kinetics of Vaborbactam in Class A beta-Lactamase Inhibition. Antimicrob.Agents Chemother., 64, 2020
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6V1O
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![BU of 6v1o by Molmil](/molmil-images/mine/6v1o) | Structure of OXA-48 bound to QPX7728 at 1.80 A | Descriptor: | (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2019-11-20 | Release date: | 2020-03-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases. J.Med.Chem., 63, 2020
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6V3T
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7RD0
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![BU of 7rd0 by Molmil](/molmil-images/mine/7rd0) | |
7RCX
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7RCW
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![BU of 7rcw by Molmil](/molmil-images/mine/7rcw) | Crystal structure of C. difficile penicillin-binding protein 2 in complex with ampicillin | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2021-07-08 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile. Nat Commun, 13, 2022
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7RCZ
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![BU of 7rcz by Molmil](/molmil-images/mine/7rcz) | Crystal structure of C. difficile SpoVD in complex with ampicillin | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2021-07-08 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile. Nat Commun, 13, 2022
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7RCY
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![BU of 7rcy by Molmil](/molmil-images/mine/7rcy) | Crystal structure of C. difficile penicillin-binding protein 2 in complex with ceftobiprole | Descriptor: | (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Penicillin-binding protein, ZINC ION | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2021-07-08 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile. Nat Commun, 13, 2022
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3V3Q
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![BU of 3v3q by Molmil](/molmil-images/mine/3v3q) | Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1, SODIUM ION, ... | Authors: | Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T. | Deposit date: | 2011-12-14 | Release date: | 2012-09-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK Nat.Chem.Biol., 8, 2012
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8JSJ
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8JSK
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8JSZ
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![BU of 8jsz by Molmil](/molmil-images/mine/8jsz) | Crystal structure of a uridylate cyclase from Anabaena sp. | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y. | Deposit date: | 2023-06-20 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Crystal structure of a uridylate cyclase from Anabaena sp. To Be Published
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8JSF
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3Q2C
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![BU of 3q2c by Molmil](/molmil-images/mine/3q2c) | Binding properties to HLA class I molecules and the structure of the leukocyte Ig-like receptor A3 (LILRA3/ILT6/LIR4/CD85e) | Descriptor: | Leukocyte immunoglobulin-like receptor subfamily A member 3 | Authors: | Ryu, M, Chen, Y, Qi, J.X, Liu, J, Shi, Y, Cheng, H, Gao, G.F. | Deposit date: | 2010-12-20 | Release date: | 2011-07-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | LILRA3 binds both classical and non-classical HLA class I molecules but with reduced affinities compared to LILRB1/LILRB2: structural evidence Plos One, 6, 2011
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4C0F
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![BU of 4c0f by Molmil](/molmil-images/mine/4c0f) | Structure of the NOT-box domain of human CNOT2 | Descriptor: | CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 2 | Authors: | Boland, A, Chen, Y, Raisch, T, Jonas, S, Izaurralde, E, Weichenrieder, O. | Deposit date: | 2013-08-01 | Release date: | 2013-10-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure and Assembly of the not Module of the Human Ccr4-not Complex Nat.Struct.Mol.Biol., 20, 2013
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