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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6ZOV
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![BU of 6zov by Molmil](/molmil-images/mine/6zov) | ENTEROPEPTIDASE IN COMPLEX WITH COMPOUND 6 | Descriptor: | 1,2-ETHANEDIOL, 4-carbamimidamidobenzoic acid, Enteropeptidase, ... | Authors: | Cummings, M.D. | Deposit date: | 2020-07-07 | Release date: | 2020-10-21 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Targeting Enteropeptidase with Reversible Covalent Inhibitors To Achieve Metabolic Benefits. J.Pharmacol.Exp.Ther., 375, 2020
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6UKG
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![BU of 6ukg by Molmil](/molmil-images/mine/6ukg) | HhaI endonuclease in Complex With DNA in space group P21 (pH 4.2) | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*AP*GP*CP*GP*CP*AP*AP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*TP*TP*GP*CP*GP*CP*TP*TP*GP*GP*A)-3'), ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2019-10-04 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Structure of HhaI endonuclease with cognate DNA at an atomic resolution of 1.0 angstrom. Nucleic Acids Res., 48, 2020
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6UKF
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![BU of 6ukf by Molmil](/molmil-images/mine/6ukf) | |
3L9M
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![BU of 3l9m by Molmil](/molmil-images/mine/3l9m) | Crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 18 | Descriptor: | (2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Huang, X. | Deposit date: | 2010-01-05 | Release date: | 2011-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Azole-based inhibitors of AKT/PKB for the treatment of cancer. Bioorg.Med.Chem.Lett., 20, 2010
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6UKE
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6UKI
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6UKH
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![BU of 6ukh by Molmil](/molmil-images/mine/6ukh) | HhaI endonuclease in Complex with DNA in space group P41212 (pH 6.0) | Descriptor: | CALCIUM ION, DNA (5'-D(*CP*CP*AP*AP*GP*CP*GP*CP*AP*AP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*TP*TP*GP*CP*GP*CP*TP*TP*GP*G)-3'), ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2019-10-04 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Structure of HhaI endonuclease with cognate DNA at an atomic resolution of 1.0 angstrom. Nucleic Acids Res., 48, 2020
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2FKC
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![BU of 2fkc by Molmil](/molmil-images/mine/2fkc) | |
7DDZ
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![BU of 7ddz by Molmil](/molmil-images/mine/7ddz) | The Crystal Structure of Human Neuropeptide Y Y2 Receptor with JNJ-31020028 | Descriptor: | FLAVIN MONONUCLEOTIDE, Human Neuropeptide Y Y2 Receptor fusion protein, ~{N}-[4-[4-[(1~{S})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide | Authors: | Tang, T, Han, S, Zhao, Q, Wu, B. | Deposit date: | 2020-10-30 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for ligand recognition of the neuropeptide Y Y 2 receptor. Nat Commun, 12, 2021
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3L9N
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![BU of 3l9n by Molmil](/molmil-images/mine/3l9n) | crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 27 | Descriptor: | (2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Huang, X. | Deposit date: | 2010-01-05 | Release date: | 2011-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Azole-based inhibitors of AKT/PKB for the treatment of cancer. Bioorg.Med.Chem.Lett., 20, 2010
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1LBA
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![BU of 1lba by Molmil](/molmil-images/mine/1lba) | |
3L9L
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![BU of 3l9l by Molmil](/molmil-images/mine/3l9l) | Crystal structure of pka with compound 36 | Descriptor: | 5-[2-({(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2H-indol-2-one, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Huang, X. | Deposit date: | 2010-01-05 | Release date: | 2011-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Azole-based inhibitors of AKT/PKB for the treatment of cancer. Bioorg.Med.Chem.Lett., 20, 2010
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2FLC
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![BU of 2flc by Molmil](/molmil-images/mine/2flc) | |
2FKH
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![BU of 2fkh by Molmil](/molmil-images/mine/2fkh) | |
2FL3
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![BU of 2fl3 by Molmil](/molmil-images/mine/2fl3) | Binary Complex of Restriction Endonuclease HinP1I with Cognate DNA | Descriptor: | 5'-D(*CP*CP*AP*GP*CP*GP*CP*TP*GP*G)-3', R.HinP1I Restriction Endonuclease | Authors: | Horton, J.R. | Deposit date: | 2006-01-05 | Release date: | 2006-02-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | DNA nicking by HinP1I endonuclease: bending, base flipping and minor groove expansion. Nucleic Acids Res., 34, 2006
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6J6K
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![BU of 6j6k by Molmil](/molmil-images/mine/6j6k) | Apo-state streptavidin | Descriptor: | Streptavidin | Authors: | Fan, X, Wang, J, Lei, J.L, Wang, H.W. | Deposit date: | 2019-01-15 | Release date: | 2019-05-29 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Single particle cryo-EM reconstruction of 52 kDa streptavidin at 3.2 Angstrom resolution. Nat Commun, 10, 2019
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6J6J
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![BU of 6j6j by Molmil](/molmil-images/mine/6j6j) | Biotin-bound streptavidin | Descriptor: | BIOTIN, Streptavidin | Authors: | Fan, X, Wang, J, Lei, J.L, Wang, H.W. | Deposit date: | 2019-01-15 | Release date: | 2019-05-29 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Single particle cryo-EM reconstruction of 52 kDa streptavidin at 3.2 Angstrom resolution. Nat Commun, 10, 2019
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6P2J
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![BU of 6p2j by Molmil](/molmil-images/mine/6p2j) | Dimeric structure of ACAT1 | Descriptor: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name), Sterol O-acyltransferase 1 | Authors: | Yan, N, Qian, H.W. | Deposit date: | 2019-05-21 | Release date: | 2020-05-20 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for catalysis and substrate specificity of human ACAT1. Nature, 581, 2020
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6MBJ
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![BU of 6mbj by Molmil](/molmil-images/mine/6mbj) | SETD3, a Histidine Methyltransferase, in Complex with an Actin Peptide and SAH, P21 Crystal Form | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Actin Peptide, ... | Authors: | Horton, J.R, Dai, S, Cheng, X. | Deposit date: | 2018-08-30 | Release date: | 2018-12-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | SETD3 is an actin histidine methyltransferase that prevents primary dystocia. Nature, 565, 2019
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6P2P
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![BU of 6p2p by Molmil](/molmil-images/mine/6p2p) | Tetrameric structure of ACAT1 | Descriptor: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name), Sterol O-acyltransferase 1 | Authors: | Yan, N, Qian, H.W. | Deposit date: | 2019-05-21 | Release date: | 2020-05-20 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for catalysis and substrate specificity of human ACAT1. Nature, 581, 2020
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8BQW
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![BU of 8bqw by Molmil](/molmil-images/mine/8bqw) | Cryo-EM structure of alpha-synuclein filaments doublet from Juvenile-onset synucleinopathy | Descriptor: | Alpha-synuclein, Unknown protein | Authors: | Yang, Y, Garringer, J.H, Shi, Y, Lovestam, S, Peak-Chew, S.Y, Zhang, X.J, Kotecha, A, Bacioglu, M, Koto, A, Takao, M, Spillantini, G.M, Ghetti, B, Vidal, R, Murzin, G.A, Scheres, H.W.S, Goedert, M. | Deposit date: | 2023-01-18 | Release date: | 2023-02-22 | Last modified: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | New SNCA mutation and structures of alpha-synuclein filaments from juvenile-onset synucleinopathy. Acta Neuropathol, 145, 2023
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8BQV
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![BU of 8bqv by Molmil](/molmil-images/mine/8bqv) | Cryo-EM structure of alpha-synuclein singlet filament from Juvenile-onset synucleinopathy | Descriptor: | Alpha-synuclein, Unknown protein | Authors: | Yang, Y, Garringer, J.H, Shi, Y, Lovestam, S, Peak-Chew, S.Y, Zhang, X.J, Kotecha, A, Bacioglu, M, Koto, A, Takao, M, Spillantini, G.M, Ghetti, B, Vidal, R, Murzin, G.A, Scheres, H.W.S, Goedert, M. | Deposit date: | 2023-01-18 | Release date: | 2023-02-22 | Last modified: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (2 Å) | Cite: | New SNCA mutation and structures of alpha-synuclein filaments from juvenile-onset synucleinopathy. Acta Neuropathol, 145, 2023
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