4MBL
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![BU of 4mbl by Molmil](/molmil-images/mine/4mbl) | Discovery of Pyrazolo[1,5a]pyrimidine-based Pim1 Inhibitors | Descriptor: | (1R,2R)-N-[3-(naphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,2-diamine, Serine/threonine-protein kinase pim-1 | Authors: | Azevedo, R, Fischmann, T.O. | Deposit date: | 2013-08-19 | Release date: | 2013-09-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of pyrazolo[1,5-a]pyrimidine-based Pim inhibitors: A template-based approach. Bioorg.Med.Chem.Lett., 23, 2013
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4Q0E
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![BU of 4q0e by Molmil](/molmil-images/mine/4q0e) | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-L-glutamic acid. | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, N-{4-[(2-amino-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}-L-glutamic acid, ... | Authors: | Kumar, V.P, Anderson, K.S. | Deposit date: | 2014-04-01 | Release date: | 2014-10-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Structural studies provide clues for analog design of specific inhibitors of Cryptosporidium hominis thymidylate synthase-dihydrofolate reductase. Bioorg.Med.Chem.Lett., 24, 2014
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3QUP
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![BU of 3qup by Molmil](/molmil-images/mine/3qup) | |
7W7L
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![BU of 7w7l by Molmil](/molmil-images/mine/7w7l) | |
4QNX
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![BU of 4qnx by Molmil](/molmil-images/mine/4qnx) | Crystal structure of apo-CmoB | Descriptor: | SULFATE ION, tRNA (mo5U34)-methyltransferase | Authors: | Kim, J, Toro, R, Bhosle, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-06-18 | Release date: | 2014-09-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.619 Å) | Cite: | Determinants of the CmoB carboxymethyl transferase utilized for selective tRNA wobble modification. Nucleic Acids Res., 43, 2015
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3R0W
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![BU of 3r0w by Molmil](/molmil-images/mine/3r0w) | Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors. | Descriptor: | Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2R)-1-{[(2S,3S)-5-{[(2R)-1-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-chloro-1-oxopropan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide | Authors: | Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C. | Deposit date: | 2011-03-09 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds. Biochem.Biophys.Res.Commun., 421, 2012
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4QNU
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![BU of 4qnu by Molmil](/molmil-images/mine/4qnu) | Crystal structure of CmoB bound with Cx-SAM in P21212 | Descriptor: | (2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio] -2-ammoniobutanoate, PHOSPHATE ION, tRNA (mo5U34)-methyltransferase | Authors: | Kim, J, Toro, R, Bhosle, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-06-18 | Release date: | 2014-09-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Determinants of the CmoB carboxymethyl transferase utilized for selective tRNA wobble modification. Nucleic Acids Res., 43, 2015
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4LX4
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![BU of 4lx4 by Molmil](/molmil-images/mine/4lx4) | Crystal Structure Determination of Pseudomonas stutzeri endoglucanase Cel5A using a Twinned Data Set | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase(Endo-1,4-beta-glucanase)protein | Authors: | Dutoit, R, Delsaute, M, Berlemont, R, Van Elder, D, Galleni, M, Bauvois, C. | Deposit date: | 2013-07-29 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.556 Å) | Cite: | Crystal structure determination of Pseudomonas stutzeri A1501 endoglucanase Cel5A: the search for a molecular basis for glycosynthesis in GH5_5 enzymes. Acta Crystallogr D Struct Biol, 75, 2019
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4MJR
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![BU of 4mjr by Molmil](/molmil-images/mine/4mjr) | E. coli sliding clamp in complex with (S)-Carprofen | Descriptor: | (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-09-04 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | DNA replication is the target for the antibacterial effects of nonsteroidal anti-inflammatory drugs. Chem.Biol., 21, 2014
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4MJP
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![BU of 4mjp by Molmil](/molmil-images/mine/4mjp) | E. coli sliding clamp in complex with (R)-Vedaprofen | Descriptor: | (2R)-2-(4-cyclohexylnaphthalen-1-yl)propanoic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-09-04 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.855 Å) | Cite: | DNA replication is the target for the antibacterial effects of nonsteroidal anti-inflammatory drugs. Chem.Biol., 21, 2014
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4P4R
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![BU of 4p4r by Molmil](/molmil-images/mine/4p4r) | Structural Basis of Chronic Beryllium Disease: Bridging the Gap Between Allergic Hypersensitivity and Autoimmunity | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DP alpha 1 chain, ... | Authors: | Clayton, G.M, Crawford, F, Kappler, J.W. | Deposit date: | 2014-03-13 | Release date: | 2014-07-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis of chronic beryllium disease: linking allergic hypersensitivity and autoimmunity. Cell, 158, 2014
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4P61
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4MJQ
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![BU of 4mjq by Molmil](/molmil-images/mine/4mjq) | E. coli sliding clamp in complex with Bromfenac | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-09-04 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | DNA replication is the target for the antibacterial effects of nonsteroidal anti-inflammatory drugs. Chem.Biol., 21, 2014
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7EBO
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![BU of 7ebo by Molmil](/molmil-images/mine/7ebo) | |
7DR7
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![BU of 7dr7 by Molmil](/molmil-images/mine/7dr7) | bovine 20S immunoproteasome | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | Authors: | Xu, C, Cong, Y. | Deposit date: | 2020-12-26 | Release date: | 2021-01-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM of mammalian PA28 alpha beta-iCP immunoproteasome reveals a distinct mechanism of proteasome activation by PA28 alpha beta. Nat Commun, 12, 2021
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7DRW
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![BU of 7drw by Molmil](/molmil-images/mine/7drw) | Bovine 20S immunoproteasome in complex with two human PA28alpha-beta activators | Descriptor: | Proteasome activator complex subunit 1, Proteasome activator complex subunit 2, Proteasome subunit alpha type-1, ... | Authors: | Cong, Y, Xu, C. | Deposit date: | 2020-12-29 | Release date: | 2021-01-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-EM of mammalian PA28 alpha beta-iCP immunoproteasome reveals a distinct mechanism of proteasome activation by PA28 alpha beta. Nat Commun, 12, 2021
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3R0Y
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![BU of 3r0y by Molmil](/molmil-images/mine/3r0y) | Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors | Descriptor: | Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2S)-1-{[(2S,3S)-3-hydroxy-5-oxo-5-{[(2R)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide | Authors: | Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C. | Deposit date: | 2011-03-09 | Release date: | 2012-04-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds. Biochem.Biophys.Res.Commun., 421, 2012
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4KY8
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![BU of 4ky8 by Molmil](/molmil-images/mine/4ky8) | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, methotrexate, FdUMP and 4-((2-amino-6-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)thio)-2-chlorophenyl)-L-glutamic acid | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional thymidylate synthase-dihydrofolate reductase, METHOTREXATE, ... | Authors: | Kumar, V.P, Anderson, K.S. | Deposit date: | 2013-05-28 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.084 Å) | Cite: | Substituted pyrrolo[2,3-d]pyrimidines as Cryptosporidium hominis thymidylate synthase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4QNV
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![BU of 4qnv by Molmil](/molmil-images/mine/4qnv) | Crystal structure of Cx-SAM bound CmoB from E. coli in P6122 | Descriptor: | (2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio] -2-ammoniobutanoate, PHOSPHATE ION, tRNA (mo5U34)-methyltransferase | Authors: | Kim, J, Toro, R, Bhosle, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-06-18 | Release date: | 2014-09-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Determinants of the CmoB carboxymethyl transferase utilized for selective tRNA wobble modification. Nucleic Acids Res., 43, 2015
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4N94
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![BU of 4n94 by Molmil](/molmil-images/mine/4n94) | E. coli sliding clamp in complex with 3,4-difluorobenzamide | Descriptor: | 1,2-ETHANEDIOL, 3,4-difluorobenzamide, CALCIUM ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-10-19 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach. J.Med.Chem., 57, 2014
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4RYP
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![BU of 4ryp by Molmil](/molmil-images/mine/4ryp) | |
7DR6
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![BU of 7dr6 by Molmil](/molmil-images/mine/7dr6) | PA28alpha-beta in complex with immunoproteasome | Descriptor: | Proteasome activator complex subunit 1, Proteasome activator complex subunit 2, Proteasome subunit alpha type-1, ... | Authors: | Cong, Y, Xu, C. | Deposit date: | 2020-12-26 | Release date: | 2021-01-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Cryo-EM of mammalian PA28 alpha beta-iCP immunoproteasome reveals a distinct mechanism of proteasome activation by PA28 alpha beta. Nat Commun, 12, 2021
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4P4K
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![BU of 4p4k by Molmil](/molmil-images/mine/4p4k) | Structural Basis of Chronic Beryllium Disease: Bridging the Gap Between allergic hypersensitivity and auto immunity | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BERYLLIUM, HLA class II histocompatibility antigen, ... | Authors: | Clayton, G.M, Crawford, F, Kappler, J.W. | Deposit date: | 2014-03-12 | Release date: | 2014-07-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of chronic beryllium disease: linking allergic hypersensitivity and autoimmunity. Cell, 158, 2014
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4P57
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![BU of 4p57 by Molmil](/molmil-images/mine/4p57) | MHC TCR peptide complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | Authors: | Clayton, G.M, Crawford, F, Kappler, J.W. | Deposit date: | 2014-03-14 | Release date: | 2014-07-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of chronic beryllium disease: linking allergic hypersensitivity and autoimmunity. Cell, 158, 2014
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4ORD
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![BU of 4ord by Molmil](/molmil-images/mine/4ord) | |