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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6G7N
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![BU of 6g7n by Molmil](/molmil-images/mine/6g7n) | Trichodesmium Tery_3377 (IdiA) (FutA) with iron and alanine ligand. | Descriptor: | D-ALANINE, D-GLUTAMIC ACID, Extracellular solute-binding protein, ... | Authors: | Machelett, M.M, Tews, I. | Deposit date: | 2018-04-06 | Release date: | 2018-09-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural and functional characterization of IdiA/FutA (Tery_3377), an iron-binding protein from the ocean diazotrophTrichodesmium erythraeum. J. Biol. Chem., 293, 2018
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6G7P
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![BU of 6g7p by Molmil](/molmil-images/mine/6g7p) | Trichodesmium Tery_3377 (IdiA) (FutA) with iron and water ligands. | Descriptor: | CHLORIDE ION, Extracellular solute-binding protein, family 1, ... | Authors: | Machelett, M.M, Tews, I. | Deposit date: | 2018-04-06 | Release date: | 2018-09-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and functional characterization of IdiA/FutA (Tery_3377), an iron-binding protein from the ocean diazotrophTrichodesmium erythraeum. J. Biol. Chem., 293, 2018
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6G7Q
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6UUV
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6UUT
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6WPR
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8G2E
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![BU of 8g2e by Molmil](/molmil-images/mine/8g2e) | PKM2 bound to compound 2 | Descriptor: | 1,2-ETHANEDIOL, 3-[(3-aminophenyl)methyl]-5-methyl-7-[methyl(oxidanyl)-$l^{3}-sulfanyl]pyridazino[4,5-b]indol-4-one, MAGNESIUM ION, ... | Authors: | Stuckey, J.A. | Deposit date: | 2023-02-03 | Release date: | 2023-05-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.838 Å) | Cite: | Development of Novel Small-Molecule Activators of Pyruvate Kinase Muscle Isozyme 2, PKM2, to Reduce Photoreceptor Apoptosis. Pharmaceuticals, 16, 2023
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6VOT
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![BU of 6vot by Molmil](/molmil-images/mine/6vot) | Crystal structure of Pseudomonas aerugonisa PBP3 complexed to gamma-lactam YU253434 | Descriptor: | 1-[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6 -dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI | Authors: | van den Akker, F. | Deposit date: | 2020-01-31 | Release date: | 2020-05-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A gamma-Lactam Siderophore Antibiotic Effective against Multidrug-Resistant Gram-Negative Bacilli. J.Med.Chem., 63, 2020
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5X28
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![BU of 5x28 by Molmil](/molmil-images/mine/5x28) | Crystal structure of EGFR 696-1022 L858R in complex with SKLB(6) | Descriptor: | 9-cyclohexyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine, CHLORIDE ION, Epidermal growth factor receptor | Authors: | Yun, C.H. | Deposit date: | 2017-01-31 | Release date: | 2018-02-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.952 Å) | Cite: | Structural insights into drug development strategy targeting EGFR T790M/C797S. Oncotarget, 9, 2018
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5X2C
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![BU of 5x2c by Molmil](/molmil-images/mine/5x2c) | Crystal structure of EGFR 696-1022 T790M/V948R in complex with SKLB(5) | Descriptor: | 1,2-ETHANEDIOL, 9-cyclopentyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine, CHLORIDE ION, ... | Authors: | Yun, C.H. | Deposit date: | 2017-01-31 | Release date: | 2018-02-21 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural insights into drug development strategy targeting EGFR T790M/C797S. Oncotarget, 9, 2018
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5X2F
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![BU of 5x2f by Molmil](/molmil-images/mine/5x2f) | Crystal structure of EGFR 696-1022 T790M/V948R in complex with SKLB(6) | Descriptor: | 9-cyclohexyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine, Epidermal growth factor receptor | Authors: | Yun, C.H. | Deposit date: | 2017-01-31 | Release date: | 2018-02-07 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into drug development strategy targeting EGFR T790M/C797S. Oncotarget, 9, 2018
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5X27
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![BU of 5x27 by Molmil](/molmil-images/mine/5x27) | Crystal structure of EGFR 696-1022 L858R in complex with SKLB(5) | Descriptor: | 9-cyclopentyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine, CHLORIDE ION, Epidermal growth factor receptor | Authors: | Yun, C.H. | Deposit date: | 2017-01-31 | Release date: | 2018-02-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.952 Å) | Cite: | Structural insights into drug development strategy targeting EGFR T790M/C797S. Oncotarget, 9, 2018
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5X2A
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5X26
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![BU of 5x26 by Molmil](/molmil-images/mine/5x26) | Crystal structure of EGFR 696-1022 L858R in complex with SKLB(3) | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9-propan-2-yl-purine-2,8-diamine | Authors: | Yun, C.H. | Deposit date: | 2017-01-31 | Release date: | 2018-02-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.951 Å) | Cite: | Structural insights into drug development strategy targeting EGFR T790M/C797S. Oncotarget, 9, 2018
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5X2K
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![BU of 5x2k by Molmil](/molmil-images/mine/5x2k) | Crystal structure of EGFR 696-1022 T790M in complex with WZ4003 | Descriptor: | Epidermal growth factor receptor, N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide | Authors: | Zhu, S.J, Zhao, P, Yun, C.H. | Deposit date: | 2017-02-01 | Release date: | 2018-02-21 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.201 Å) | Cite: | Structural insights into drug development strategy targeting EGFR T790M/C797S. Oncotarget, 9, 2018
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7JVO
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4OKW
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![BU of 4okw by Molmil](/molmil-images/mine/4okw) | Crystal structure of W741L-AR-LBD bound with co-regulator peptide | Descriptor: | Androgen receptor, R-BICALUTAMIDE, co-regulator peptide | Authors: | Liu, J.S, Hsu, C.L, Wu, W.G. | Deposit date: | 2014-01-23 | Release date: | 2014-08-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis. Mol Oncol, 8, 2014
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4OEA
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![BU of 4oea by Molmil](/molmil-images/mine/4oea) | Crystal structure of AR-LBD | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor | Authors: | Liu, J.S, Hsu, C.L, Wu, W.G. | Deposit date: | 2014-01-12 | Release date: | 2014-08-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis. Mol Oncol, 8, 2014
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4OFR
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![BU of 4ofr by Molmil](/molmil-images/mine/4ofr) | Crystal structure of AR-LBD bound with co-regulator peptide | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, co-regulator peptide | Authors: | Liu, J.S, Hsu, C.L, Wu, W.G. | Deposit date: | 2014-01-15 | Release date: | 2014-08-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis. Mol Oncol, 8, 2014
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4OFU
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![BU of 4ofu by Molmil](/molmil-images/mine/4ofu) | Crystal structure of AR-LBD bound with co-regulator peptide | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, co-regulator peptide | Authors: | Liu, J.S, Hsu, C.L, Wu, W.G. | Deposit date: | 2014-01-15 | Release date: | 2014-08-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis. Mol Oncol, 8, 2014
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4CAV
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![BU of 4cav by Molmil](/molmil-images/mine/4cav) | Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a benzofuran ligand R0-09-4879 | Descriptor: | 3-[[3-methyl-2-[[2,3,4-tris(fluoranyl)phenoxy]methyl]-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine, CHLORIDE ION, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ... | Authors: | Robinson, D.A, Fang, W, Raimi, O.G, Blair, D.E, Harrison, J, Ruda, G.F, Lockhart, D.E.A, Torrie, L.S, Wyatt, P.G, Gilbert, I.H, Van Aalten, D.M.F. | Deposit date: | 2013-10-09 | Release date: | 2014-09-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus. Acs Chem.Biol., 10, 2015
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