5ELB
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![BU of 5elb by Molmil](/molmil-images/mine/5elb) | Cholera toxin classical B-pentamer in complex with Lewis-y | Descriptor: | BICINE, CALCIUM ION, Cholera enterotoxin B subunit, ... | Authors: | Heggelund, J.E, Burschowsky, D, Krengel, U. | Deposit date: | 2015-11-04 | Release date: | 2016-03-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | High-Resolution Crystal Structures Elucidate the Molecular Basis of Cholera Blood Group Dependence. Plos Pathog., 12, 2016
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4H3J
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![BU of 4h3j by Molmil](/molmil-images/mine/4h3j) | Structure of BACE Bound to 2-fluoro-5-(5-(2-imino-3-methyl-4-oxo-6-phenyloctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-2-yl)benzonitrile | Descriptor: | 2-fluoro-5-{5-[(2E,4aR,7aR)-2-imino-3-methyl-4-oxo-6-phenyloctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | Authors: | Strickland, C, Mandal, M. | Deposit date: | 2012-09-13 | Release date: | 2012-10-17 | Last modified: | 2012-11-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation. J.Med.Chem., 55, 2012
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6XWD
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6XSU
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![BU of 6xsu by Molmil](/molmil-images/mine/6xsu) | GH5-4 broad specificity endoglucanase from Ruminococcus flavefaciens | Descriptor: | ETHANOL, GH5-4 broad specificity endoglucanase | Authors: | Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G. | Deposit date: | 2020-07-16 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis. J.Biol.Chem., 295, 2020
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6XSO
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![BU of 6xso by Molmil](/molmil-images/mine/6xso) | GH5-4 broad specificity endoglucanase from an uncultured bacterium | Descriptor: | (2S)-2-hydroxybutanedioic acid, Cellulase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G. | Deposit date: | 2020-07-15 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis. J.Biol.Chem., 295, 2020
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5EGY
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![BU of 5egy by Molmil](/molmil-images/mine/5egy) | Structure of ligand free human DPP3 in closed form. | Descriptor: | Dipeptidyl peptidase 3, MAGNESIUM ION, ZINC ION | Authors: | Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K. | Deposit date: | 2015-10-27 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.741 Å) | Cite: | Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition. Sci Rep, 6, 2016
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4H3F
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![BU of 4h3f by Molmil](/molmil-images/mine/4h3f) | Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile | Descriptor: | 3-{5-[(2E,4aR,7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | Authors: | Strickland, C, Mandal, M. | Deposit date: | 2012-09-13 | Release date: | 2012-11-07 | Last modified: | 2012-11-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation. J.Med.Chem., 55, 2012
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6ZG8
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![BU of 6zg8 by Molmil](/molmil-images/mine/6zg8) | bovine ATP synthase rotor domain state 2 | Descriptor: | ATP synthase F(0) complex subunit C2, mitochondrial, ATP synthase subunit delta, ... | Authors: | Spikes, T, Montgomery, M.G, Walker, J.E. | Deposit date: | 2020-06-18 | Release date: | 2020-09-09 | Last modified: | 2020-09-30 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Structure of the dimeric ATP synthase from bovine mitochondria. Proc.Natl.Acad.Sci.USA, 117, 2020
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5H1H
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![BU of 5h1h by Molmil](/molmil-images/mine/5h1h) | NMR structure of SLBA, a chimera of SFTI | Descriptor: | Bradykinin-trypsin inhibitor secondary loop chimera | Authors: | Xiao, T, Tam, J.P. | Deposit date: | 2016-10-10 | Release date: | 2017-04-19 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | An Orally Active Bradykinin B1 Receptor Antagonist Engineered as a Bifunctional Chimera of Sunflower Trypsin Inhibitor. J. Med. Chem., 60, 2017
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5H1I
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![BU of 5h1i by Molmil](/molmil-images/mine/5h1i) | NMR structure of TIBA, a chimera of SFTI | Descriptor: | Bradykinin-trypsin inhibitor secondary loop chimera | Authors: | Xiao, T, Tam, J.P. | Deposit date: | 2016-10-10 | Release date: | 2017-04-19 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | An Orally Active Bradykinin B1 Receptor Antagonist Engineered as a Bifunctional Chimera of Sunflower Trypsin Inhibitor. J. Med. Chem., 60, 2017
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4X7N
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![BU of 4x7n by Molmil](/molmil-images/mine/4x7n) | Co-crystal Structure of PERK bound to 4-[2-amino-4-methyl-3-(2-methylquinolin-6-yl)benzoyl]-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor | Descriptor: | 4-[2-amino-4-methyl-3-(2-methylquinolin-6-yl)benzoyl]-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, L(+)-TARTARIC ACID | Authors: | Shaffer, P.L, Long, A.M, Chen, H. | Deposit date: | 2014-12-09 | Release date: | 2015-01-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK). J.Med.Chem., 58, 2015
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5G5W
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![BU of 5g5w by Molmil](/molmil-images/mine/5g5w) | Structure guided design and discovery of Indazole ethers as highly potent, non-steroidal Glucocorticoid receptor modulators | Descriptor: | 1,2-ETHANEDIOL, 2,2,2-trifluoro-N-[(1R,2S)-1-{[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy}-1-phenylpropan-2-yl]acetamide, GLUCOCORTICOID RECEPTOR, ... | Authors: | Hemmerling, M, Edman, K, Lepisto, M, Eriksson, A, Ivanova, S, Dahmen, J, Rehwinkel, H, Berger, M, Hendrickx, R, Dearman, M, Jellesmark-Jensen, T, Wissler, L, Hansson, T. | Deposit date: | 2016-06-08 | Release date: | 2017-02-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of Indazole Ethers as Novel, Potent, Non-Steroidal Glucocorticoid Receptor Modulators. Bioorg.Med.Chem.Lett., 26, 2017
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8OJL
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![BU of 8ojl by Molmil](/molmil-images/mine/8ojl) | Human Mitochondrial Lon Y394E Mutant ADP Bound | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial | Authors: | Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E. | Deposit date: | 2023-03-24 | Release date: | 2024-04-03 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions. Sci Rep, 14, 2024
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5H72
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![BU of 5h72 by Molmil](/molmil-images/mine/5h72) | Structure of the periplasmic domain of FliP | Descriptor: | Flagellar biosynthetic protein FliP | Authors: | Fukumura, T, Kawaguchi, T, Saijo-Hamano, Y, Namba, K, Minamino, T, Imada, K. | Deposit date: | 2016-11-16 | Release date: | 2017-08-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Assembly and stoichiometry of the core structure of the bacterial flagellar type III export gate complex PLoS Biol., 15, 2017
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8OKA
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![BU of 8oka by Molmil](/molmil-images/mine/8oka) | Human Mitochondrial Lon Y394F Mutant ADP Bound | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial | Authors: | Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E. | Deposit date: | 2023-03-28 | Release date: | 2024-04-10 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.89 Å) | Cite: | Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions. Sci Rep, 14, 2024
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4H3I
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![BU of 4h3i by Molmil](/molmil-images/mine/4h3i) | Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile | Descriptor: | 3-{5-[(2E,4aR,7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | Authors: | Strickland, C, Mandal, M. | Deposit date: | 2012-09-13 | Release date: | 2012-11-07 | Last modified: | 2012-11-21 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation. J.Med.Chem., 55, 2012
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4X7O
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![BU of 4x7o by Molmil](/molmil-images/mine/4x7o) | Co-crystal Structure of PERK bound to 1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone inhibitor | Descriptor: | 1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3 | Authors: | Shaffer, P.L, Long, A.M, Chen, H. | Deposit date: | 2014-12-09 | Release date: | 2015-01-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK). J.Med.Chem., 58, 2015
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5EP5
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![BU of 5ep5 by Molmil](/molmil-images/mine/5ep5) | |
5EFM
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![BU of 5efm by Molmil](/molmil-images/mine/5efm) | Beclin 1 Flexible-helical Domian (FHD) (141-171) | Descriptor: | Beclin-1, SULFATE ION | Authors: | Sinha, S, Mei, Y. | Deposit date: | 2015-10-23 | Release date: | 2016-07-20 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Conformational Flexibility Enables the Function of a BECN1 Region Essential for Starvation-Mediated Autophagy. Biochemistry, 55, 2016
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5EGS
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![BU of 5egs by Molmil](/molmil-images/mine/5egs) | Human PRMT6 with bound fragment-type inhibitor | Descriptor: | 2-[4-(phenylmethyl)piperidin-1-yl]ethanamine, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Steuber, H, Egner, U, Kania, J, Wu, H, Brown, P.J. | Deposit date: | 2015-10-27 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of a Potent Class I Protein Arginine Methyltransferase Fragment Inhibitor. J.Med.Chem., 59, 2016
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5EHH
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![BU of 5ehh by Molmil](/molmil-images/mine/5ehh) | Structure of human DPP3 in complex with endomorphin-2. | Descriptor: | Dipeptidyl peptidase 3, Endomorphin-2, MAGNESIUM ION, ... | Authors: | Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K. | Deposit date: | 2015-10-28 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition. Sci Rep, 6, 2016
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8OFL
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![BU of 8ofl by Molmil](/molmil-images/mine/8ofl) | Coproporphyrin III - LmCpfC complex soaked 4min with Fe2+ | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Coproporphyrin III ferrochelatase, ... | Authors: | Gabler, T, Hofbauer, S. | Deposit date: | 2023-03-16 | Release date: | 2023-04-05 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Iron insertion into coproporphyrin III-ferrochelatase complex: Evidence for an intermediate distorted catalytic species. Protein Sci., 32, 2023
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5ELC
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![BU of 5elc by Molmil](/molmil-images/mine/5elc) | Cholera toxin El Tor B-pentamer in complex with Lewis-y | Descriptor: | BICINE, CALCIUM ION, Cholera enterotoxin subunit B, ... | Authors: | Heggelund, J.E, Burschowsky, D, Krengel, U. | Deposit date: | 2015-11-04 | Release date: | 2016-03-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High-Resolution Crystal Structures Elucidate the Molecular Basis of Cholera Blood Group Dependence. Plos Pathog., 12, 2016
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6ZIU
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![BU of 6ziu by Molmil](/molmil-images/mine/6ziu) | bovine ATP synthase stator domain, state 3 | Descriptor: | ATP synthase F(0) complex subunit B1, mitochondrial, ATP synthase protein 8, ... | Authors: | Spikes, T.E, Montgomery, M.G, Walker, J.E. | Deposit date: | 2020-06-26 | Release date: | 2020-09-09 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (6.02 Å) | Cite: | Structure of the dimeric ATP synthase from bovine mitochondria. Proc.Natl.Acad.Sci.USA, 117, 2020
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6YYE
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![BU of 6yye by Molmil](/molmil-images/mine/6yye) | TREM2 extracellular domain (19-131) in complex with single-chain variable fragment (scFv-2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, TREM2 Single chain variable 2, Triggering receptor expressed on myeloid cells 2 | Authors: | Szykowska, A, Preger, C, Krojer, T, Mukhopadhyay, S.M.M, McKinley, G, Graslund, S, Wigren, E, Persson, H, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Di Daniel, E, Burgess-Brown, N, Bullock, A. | Deposit date: | 2020-05-04 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.36 Å) | Cite: | Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain. Structure, 29, 2021
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