3GAX
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![BU of 3gax by Molmil](/molmil-images/mine/3gax) | Crystal structure of monomeric human cystatin C stabilized against aggregation | Descriptor: | Cystatin-C | Authors: | Kolodziejczyk, R, Michalska, K, Hernandez-Santoyo, A, Wahlbom, M, Grubb, A, Jaskolski, M. | Deposit date: | 2009-02-18 | Release date: | 2010-02-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of human cystatin C stabilized against amyloid formation. Febs J., 277, 2010
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4MY0
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![BU of 4my0 by Molmil](/molmil-images/mine/4my0) | Crystal Structure of GCN5-related N-acetyltransferase from Kribbella flavida | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETYL COENZYME *A, GCN5-related N-acetyltransferase, ... | Authors: | Kim, Y, Mack, J, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-09-26 | Release date: | 2013-11-06 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Crystal Structure of GCN5-related N-acetyltransferase from Kribbella flavida To be Published
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2WRS
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![BU of 2wrs by Molmil](/molmil-images/mine/2wrs) | Crystal Structure of the Mono-Zinc Metallo-beta-lactamase VIM-4 from Pseudomonas aeruginosa | Descriptor: | BETA-LACTAMASE VIM-4, CITRATE ANION, CITRIC ACID, ... | Authors: | Lassaux, P, Hamel, M, Gulea, M, Delbruck, H, Traore, D.A.K, Mercuri, P.S, Horsfall, L, Dehareng, D, Gaumont, A.-C, Frere, J.-M, Ferrer, J.-L, Hoffmann, K, Galleni, M, Bebrone, C. | Deposit date: | 2009-09-02 | Release date: | 2010-06-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Mercaptophosphonate Compounds as Broad-Spectrum Inhibitors of the Metallo-Beta-Lactamases. J.Med.Chem., 53, 2010
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7RAB
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![BU of 7rab by Molmil](/molmil-images/mine/7rab) | |
7R75
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![BU of 7r75 by Molmil](/molmil-images/mine/7r75) | Structure of human SHP2 in complex with compound 16 | Descriptor: | 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Leonard, P.G, Cross, J. | Deposit date: | 2021-06-24 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor. J.Med.Chem., 64, 2021
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3GBU
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![BU of 3gbu by Molmil](/molmil-images/mine/3gbu) | Crystal structure of an uncharacterized sugar kinase PH1459 from Pyrococcus horikoshii in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Uncharacterized sugar kinase PH1459 | Authors: | Eswaramoorthy, S, Kumar, G, Zhang, Z, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-02-20 | Release date: | 2009-03-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of an uncharacterized sugar kinase PH1459 from Pyrococcus horikoshii in complex with ATP To be Published
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7R7D
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![BU of 7r7d by Molmil](/molmil-images/mine/7r7d) | Structure of human SHP2 in complex with compound 22 | Descriptor: | 4-[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-N-methylpyridin-2-amine, TETRAETHYLENE GLYCOL, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Leonard, P.G, Cross, J. | Deposit date: | 2021-06-24 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor. J.Med.Chem., 64, 2021
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4N4E
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![BU of 4n4e by Molmil](/molmil-images/mine/4n4e) | Thermolysin in complex with UBTLN58 | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Krimmer, S.G, Heine, A, Klebe, G. | Deposit date: | 2013-10-08 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Methyl, Ethyl, Propyl, Butyl: Futile But Not for Water, as the Correlation of Structure and Thermodynamic Signature Shows in a Congeneric Series of Thermolysin Inhibitors. Chemmedchem, 4, 2014
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7LHR
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![BU of 7lhr by Molmil](/molmil-images/mine/7lhr) | |
2WS7
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![BU of 2ws7 by Molmil](/molmil-images/mine/2ws7) | Semi-synthetic analogue of human insulin ProB26-DTI | Descriptor: | CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ... | Authors: | Brzozowski, A.M, Jiracek, J, Zakova, L, Antolikova, E, Watson, C.J, Turkenburg, J.P, Dodson, G.G. | Deposit date: | 2009-09-03 | Release date: | 2010-02-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Implications for the Active Form of Human Insulin Based on the Structural Convergence of Highly Active Hormone Analogues. Proc.Natl.Acad.Sci.USA, 107, 2010
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7LHU
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![BU of 7lhu by Molmil](/molmil-images/mine/7lhu) | |
8UT1
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![BU of 8ut1 by Molmil](/molmil-images/mine/8ut1) | Alpha7-nicotinic acetylcholine receptor bound to epibatidine | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Burke, S.M, Hibbs, R.E, Noviello, C.M. | Deposit date: | 2023-10-30 | Release date: | 2024-02-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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8V82
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![BU of 8v82 by Molmil](/molmil-images/mine/8v82) | Alpha7-nicotinic acetylcholine receptor bound to epibatidine and PNU-120596 | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | Deposit date: | 2023-12-04 | Release date: | 2024-02-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.61 Å) | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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4MZU
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![BU of 4mzu by Molmil](/molmil-images/mine/4mzu) | Crystal structure of FdtD, a bifunctional ketoisomerase/N-acetyltransferase from Shewanella denitrificans | Descriptor: | COENZYME A, MAGNESIUM ION, THYMIDINE-5'-DIPHOSPHATE, ... | Authors: | Chantigian, D.P, Thoden, J.B, Holden, H.M. | Deposit date: | 2013-09-30 | Release date: | 2013-10-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and Biochemical Characterization of a Bifunctional Ketoisomerase/N-Acetyltransferase from Shewanella denitrificans. Biochemistry, 52, 2013
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8V8D
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![BU of 8v8d by Molmil](/molmil-images/mine/8v8d) | Alpha7-nicotinic acetylcholine receptor time resolved bound to epibatidine and PNU-120596 asymmetric state 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | Deposit date: | 2023-12-05 | Release date: | 2024-02-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.31 Å) | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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5CYS
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![BU of 5cys by Molmil](/molmil-images/mine/5cys) | |
8V86
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![BU of 8v86 by Molmil](/molmil-images/mine/8v86) | Alpha7-nicotinic acetylcholine receptor bound to GAT107 | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | Deposit date: | 2023-12-04 | Release date: | 2024-02-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.47 Å) | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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7R7L
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![BU of 7r7l by Molmil](/molmil-images/mine/7r7l) | Structure of human SHP2 in complex with compound 30 | Descriptor: | 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3H)-one, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Leonard, P.G, Cross, J. | Deposit date: | 2021-06-24 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor. J.Med.Chem., 64, 2021
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3BSO
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![BU of 3bso by Molmil](/molmil-images/mine/3bso) | |
4IGT
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![BU of 4igt by Molmil](/molmil-images/mine/4igt) | Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the agonist ZA302 at 1.24A resolution | Descriptor: | (4R)-4-{3-[hydroxy(methyl)amino]-3-oxopropyl}-L-glutamic acid, GLYCEROL, Glutamate receptor 2, ... | Authors: | Larsen, A.P, Venskutonyte, R, Gajhede, M, Kastrup, J.S, Frydenvang, K. | Deposit date: | 2012-12-18 | Release date: | 2013-03-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Chemoenzymatic synthesis of new 2,4-syn-functionalized (S)-glutamate analogues and structure-activity relationship studies at ionotropic glutamate receptors and excitatory amino acid transporters. J.Med.Chem., 56, 2013
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7LTM
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![BU of 7ltm by Molmil](/molmil-images/mine/7ltm) | Hum8 capsid | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Capsid protein | Authors: | Mietzsch, M, Agbandje-McKenna, M. | Deposit date: | 2021-02-19 | Release date: | 2021-07-07 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | Receptor Switching in Newly Evolved Adeno-associated Viruses. J.Virol., 95, 2021
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7RP0
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![BU of 7rp0 by Molmil](/molmil-images/mine/7rp0) | Structural Snapshots of Intermediates in the Gating of a K+ Channel | Descriptor: | DIACYL GLYCEROL, KcsA Fab chain A, KcsA Fab chain B, ... | Authors: | Reddi, R, Matulef, K, Riederer, E.A, Valiyaveetil, F.I. | Deposit date: | 2021-08-02 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structures of Gating Intermediates in a K + channell. J.Mol.Biol., 433, 2021
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7R7I
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![BU of 7r7i by Molmil](/molmil-images/mine/7r7i) | Structure of human SHP2 in complex with compound 27 | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11, [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol | Authors: | Leonard, P.G, Cross, J. | Deposit date: | 2021-06-24 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor. J.Med.Chem., 64, 2021
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5ENZ
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![BU of 5enz by Molmil](/molmil-images/mine/5enz) | S. aureus MnaA-UDP co-structure | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, TETRAETHYLENE GLYCOL, ... | Authors: | Fischmann, T.O. | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Chemical Genetic Analysis and Functional Characterization of Staphylococcal Wall Teichoic Acid 2-Epimerases Reveals Unconventional Antibiotic Drug Targets. Plos Pathog., 12, 2016
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5D0U
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![BU of 5d0u by Molmil](/molmil-images/mine/5d0u) | |