6AR9
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8BZH
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![BU of 8bzh by Molmil](/molmil-images/mine/8bzh) | FC-NAc stabilizer of 14-3-3 and ERalpha | Descriptor: | 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ... | Authors: | Visser, E.J, Ottmann, C. | Deposit date: | 2022-12-14 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer To Be Published
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8BZE
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![BU of 8bze by Molmil](/molmil-images/mine/8bze) | FC-J stabilizer for ERa and 14-3-3 | Descriptor: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,9-bis(oxidanyl)-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]oxy]-6-(2-methylbut-3-en-2-yloxymethyl)oxane-3,4,5-triol, 14-3-3 protein sigma, ERalpha peptide, ... | Authors: | Visser, E.J, Ottmann, C. | Deposit date: | 2022-12-14 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a new potential intervention strategy for endocrine resistance in breast cancer To Be Published
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8BZT
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![BU of 8bzt by Molmil](/molmil-images/mine/8bzt) | FC-NAg stabilizer of 14-3-3 and ERalpha | Descriptor: | 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ... | Authors: | Visser, E.J, Ottmann, C. | Deposit date: | 2022-12-15 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer To Be Published
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7NHE
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![BU of 7nhe by Molmil](/molmil-images/mine/7nhe) | Crystal structure of Arabidopsis thaliana Pdx1K166R-I333 complex | Descriptor: | PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3, [(~{E},4~{S})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen phosphate | Authors: | Rodrigues, M.J, Zhang, Y, Bolton, R, Evans, G, Giri, N, Royant, A, Begley, T, Ealick, S.E, Tews, I. | Deposit date: | 2021-02-10 | Release date: | 2021-12-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Trapping and structural characterisation of a covalent intermediate in vitamin B 6 biosynthesis catalysed by the Pdx1 PLP synthase. Rsc Chem Biol, 3, 2022
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7SQJ
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5FMG
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![BU of 5fmg by Molmil](/molmil-images/mine/5fmg) | Structure and function based design of Plasmodium-selective proteasome inhibitors | Descriptor: | (2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide, BETA3 PROTEASOME SUBUNIT, PUTATIVE, ... | Authors: | Li, H, O'Donoghue, A.J, van der Linden, W.A, Xie, S.C, Yoo, E, Foe, I.T, Tilley, L, Craik, C.S, da Fonseca, P.C.A, Bogyo, M. | Deposit date: | 2015-11-04 | Release date: | 2016-03-02 | Last modified: | 2017-08-23 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure and Function Based Design of Plasmodium-Selective Proteasome Inhibitors Nature, 530, 2016
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7ZN2
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![BU of 7zn2 by Molmil](/molmil-images/mine/7zn2) | Tail tip of siphophage T5 : full complex after interaction with its bacterial receptor FhuA | Descriptor: | Distal tail protein, L-shaped tail fiber protein p132, Minor tail protein, ... | Authors: | Linares, R, Arnaud, C.A, Effantin, G, Darnault, C, Epalle, N, Boeri Erba, E, Schoehn, G, Breyton, C. | Deposit date: | 2022-04-20 | Release date: | 2023-02-08 | Last modified: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (4.29 Å) | Cite: | Structural basis of bacteriophage T5 infection trigger and E. coli cell wall perforation. Sci Adv, 9, 2023
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7UIB
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![BU of 7uib by Molmil](/molmil-images/mine/7uib) | Crystal structure of BoNT/E receptor binding domain in complex with SV2, VHH, and sialic acid | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-beta-neuraminic acid, ... | Authors: | Liu, Z, Jin, R, Chen, P. | Deposit date: | 2022-03-29 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Structural basis for botulinum neurotoxin E recognition of synaptic vesicle protein 2. Nat Commun, 14, 2023
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7UIA
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![BU of 7uia by Molmil](/molmil-images/mine/7uia) | Crystal structure of BoNT/E receptor binding domain in complex with SV2 and VHH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Liu, Z, Jin, R, Chen, P. | Deposit date: | 2022-03-28 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Structural basis for botulinum neurotoxin E recognition of synaptic vesicle protein 2. Nat Commun, 14, 2023
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6UDM
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7A1H
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![BU of 7a1h by Molmil](/molmil-images/mine/7a1h) | Crystal structure of wild-type CI2 | Descriptor: | SULFATE ION, Subtilisin-chymotrypsin inhibitor-2A | Authors: | Olsen, J.G, Teilum, K, Hamborg, L, Roche, J.V. | Deposit date: | 2020-08-13 | Release date: | 2020-12-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Synergistic stabilization of a double mutant in chymotrypsin inhibitor 2 from a library screen in E. coli. Commun Biol, 4, 2021
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7A3M
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8AYX
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![BU of 8ayx by Molmil](/molmil-images/mine/8ayx) | Poliovirus type 3 (strain Saukett) stabilised virus-like particle (PV3 SC8) in complex with GSH and GPP3 | Descriptor: | 1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE, Capsid protein, VP0, ... | Authors: | Bahar, M.W, Fry, E.E, Stuart, D.I. | Deposit date: | 2022-09-04 | Release date: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | A conserved glutathione binding site in poliovirus is a target for antivirals and vaccine stabilisation. Commun Biol, 5, 2022
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5LI3
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![BU of 5li3 by Molmil](/molmil-images/mine/5li3) | Crystal structure of HDAC-like protein from P. aeruginosa in complex with a photo-switchable inhibitor. | Descriptor: | (2E)-N-hydroxy-3-{4-[(E)-(1,3,5-trimethyl-1H-pyrazol-4-yl)diazenyl]phenyl}prop-2-enamide, Acetoin utilization protein, POTASSIUM ION, ... | Authors: | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | Deposit date: | 2016-07-14 | Release date: | 2016-11-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Toward Photopharmacological Antimicrobial Chemotherapy Using Photoswitchable Amidohydrolase Inhibitors. ACS Infect Dis, 3, 2017
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6ND5
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![BU of 6nd5 by Molmil](/molmil-images/mine/6nd5) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with chloramphenicol and bound to mRNA and A-, P-, and E-site tRNAs at 2.60A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Svetlov, M.S, Plessa, E, Chen, C.-W, Bougas, A, Krokidis, M.G, Dinos, G.P, Polikanov, Y.S. | Deposit date: | 2018-12-13 | Release date: | 2019-03-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | High-resolution crystal structures of ribosome-bound chloramphenicol and erythromycin provide the ultimate basis for their competition. RNA, 25, 2019
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6ND6
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![BU of 6nd6 by Molmil](/molmil-images/mine/6nd6) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with erythromycin and bound to mRNA and A-, P-, and E-site tRNAs at 2.85A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Svetlov, M.S, Plessa, E, Chen, C.-W, Bougas, A, Krokidis, M.G, Dinos, G.P, Polikanov, Y.S. | Deposit date: | 2018-12-13 | Release date: | 2019-02-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | High-resolution crystal structures of ribosome-bound chloramphenicol and erythromycin provide the ultimate basis for their competition. RNA, 25, 2019
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5LNT
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![BU of 5lnt by Molmil](/molmil-images/mine/5lnt) | Crystal structure of Arabidopsis thaliana Pdx1K166R-preI320 complex | Descriptor: | PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.1, [(~{E},4~{S})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen phosphate | Authors: | Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I. | Deposit date: | 2016-08-06 | Release date: | 2017-01-18 | Last modified: | 2017-02-22 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis. Nat. Chem. Biol., 13, 2017
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8CPI
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![BU of 8cpi by Molmil](/molmil-images/mine/8cpi) | Crystal structure of PPAR gamma (PPARG) in complex with WY-14643 | Descriptor: | 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor gamma | Authors: | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-03-02 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation. J.Am.Chem.Soc., 145, 2023
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6G63
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![BU of 6g63 by Molmil](/molmil-images/mine/6g63) | RNase E in complex with sRNA RrpA | Descriptor: | RNA (5'-R(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3'), Ribonuclease E, URIDINE-5'-MONOPHOSPHATE, ... | Authors: | Bandyra, K.B, Luisi, B.F. | Deposit date: | 2018-03-31 | Release date: | 2018-10-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.95 Å) | Cite: | Substrate Recognition and Autoinhibition in the Central Ribonuclease RNase E. Mol. Cell, 72, 2018
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5QCM
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![BU of 5qcm by Molmil](/molmil-images/mine/5qcm) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[[(1~{S})-2-[(~{E})-3-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]phenyl]carbamate | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | Authors: | Sheriff, S. | Deposit date: | 2017-08-10 | Release date: | 2017-11-08 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212). J. Med. Chem., 60, 2017
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8J6N
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![BU of 8j6n by Molmil](/molmil-images/mine/8j6n) | Crystal structure of Cystathionine gamma-lyase in complex with compound 1 | Descriptor: | 1,2-ETHANEDIOL, Cystathionine gamma-lyase, GLYCEROL, ... | Authors: | Hibi, R, Toma-Fukai, S, Shimizu, T, Hanaoka, K. | Deposit date: | 2023-04-26 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a cystathionine gamma-lyase (CSE) selective inhibitor targeting active-site pyridoxal 5'-phosphate (PLP) via Schiff base formation. Sci Rep, 13, 2023
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5QCL
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![BU of 5qcl by Molmil](/molmil-images/mine/5qcl) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid | Descriptor: | 1,2-ETHANEDIOL, 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid, Coagulation factor XI, ... | Authors: | Sheriff, S. | Deposit date: | 2017-08-10 | Release date: | 2017-11-08 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212). J. Med. Chem., 60, 2017
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5QCN
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![BU of 5qcn by Molmil](/molmil-images/mine/5qcn) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid | Descriptor: | 1,2-ETHANEDIOL, 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid, Coagulation factor XI, ... | Authors: | Sheriff, S. | Deposit date: | 2017-08-10 | Release date: | 2017-11-08 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212). J. Med. Chem., 60, 2017
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6CWT
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![BU of 6cwt by Molmil](/molmil-images/mine/6cwt) | |