4OHF
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![BU of 4ohf by Molmil](/molmil-images/mine/4ohf) | Crystal structure of cytosolic nucleotidase II (LPG0095) in complex with GMP from Legionella pneumophila, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET LGR1 | Descriptor: | Cytosolic IMP-GMP specific 5'-nucleotidase, GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ... | Authors: | Srinivisan, B, Forouhar, F, Shukla, A, Sampangi, C, Kulkarni, S, Abashidze, M, Seetharaman, J, Lew, S, Mao, L, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.M, Tong, L, Balaram, H, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2014-01-17 | Release date: | 2014-02-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Allosteric regulation and substrate activation in cytosolic nucleotidase II from Legionella pneumophila. Febs J., 281, 2014
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6RNH
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![BU of 6rnh by Molmil](/molmil-images/mine/6rnh) | Structure of C-terminal truncated Plasmodium falciparum IMP-nucleotidase | Descriptor: | GLYCEROL, IMP-specific 5'-nucleotidase, putative | Authors: | Carrique, L, Ballut, L, Violot, S, Aghajari, N. | Deposit date: | 2019-05-08 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Structure and catalytic regulation of Plasmodium falciparum IMP specific nucleotidase. Nat Commun, 11, 2020
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6RN1
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![BU of 6rn1 by Molmil](/molmil-images/mine/6rn1) | Structure of N-terminal truncated Plasmodium falciparum IMP-nucleotidase | Descriptor: | IMP-specific 5'-nucleotidase, putative | Authors: | Carrique, L, Ballut, L, Violot, S, Aghajari, N. | Deposit date: | 2019-05-07 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure and catalytic regulation of Plasmodium falciparum IMP specific nucleotidase. Nat Commun, 11, 2020
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6ECW
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![BU of 6ecw by Molmil](/molmil-images/mine/6ecw) | StiD O-MT residues 956-1266 | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, StiD protein | Authors: | Skiba, M.A, Bivins, M.M, Smith, J.L. | Deposit date: | 2018-08-08 | Release date: | 2018-12-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis of Polyketide Synthase O-Methylation. ACS Chem. Biol., 13, 2018
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6ECX
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![BU of 6ecx by Molmil](/molmil-images/mine/6ecx) | StiE O-MT residues 942-1257 | Descriptor: | GLYCEROL, S-ADENOSYLMETHIONINE, StiE protein | Authors: | Skiba, M.A, Bivins, M.B, Smith, J.L. | Deposit date: | 2018-08-08 | Release date: | 2018-12-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis of Polyketide Synthase O-Methylation. ACS Chem. Biol., 13, 2018
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6ECV
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![BU of 6ecv by Molmil](/molmil-images/mine/6ecv) | StiD O-MT residues 976-1266 | Descriptor: | CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, StiD protein | Authors: | Skiba, M.A, Bivins, M.M, Smith, J.L. | Deposit date: | 2018-08-08 | Release date: | 2018-12-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Structural Basis of Polyketide Synthase O-Methylation. ACS Chem. Biol., 13, 2018
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6ECT
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![BU of 6ect by Molmil](/molmil-images/mine/6ect) | StiE O-MT residues 961-1257 | Descriptor: | S-ADENOSYLMETHIONINE, StiE protein | Authors: | Skiba, M.A, Bivins, M.M, Smith, J.L. | Deposit date: | 2018-08-08 | Release date: | 2018-12-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structural Basis of Polyketide Synthase O-Methylation. ACS Chem. Biol., 13, 2018
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2VKM
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![BU of 2vkm by Molmil](/molmil-images/mine/2vkm) | Crystal structure of GRL-8234 bound to BACE (Beta-secretase) | Descriptor: | BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | Authors: | Hong, L, Tang, J, Ghosh, A.K. | Deposit date: | 2007-12-04 | Release date: | 2008-12-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Potent Memapsin 2 (Beta-Secretase) Inhibitors: Design, Synthesis, Protein-Ligand X-Ray Structure, and in Vivo Evaluation. Bioorg.Med.Chem.Lett., 18, 2008
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6RME
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![BU of 6rme by Molmil](/molmil-images/mine/6rme) | Structure of IMP bound Plasmodium falciparum IMP-nucleotidase mutant D172N | Descriptor: | GLYCEROL, IMP-specific 5'-nucleotidase, putative, ... | Authors: | Carrique, L, Ballut, L, Violot, S, Aghajari, N. | Deposit date: | 2019-05-06 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure and catalytic regulation of Plasmodium falciparum IMP specific nucleotidase. Nat Commun, 11, 2020
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6RMW
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![BU of 6rmw by Molmil](/molmil-images/mine/6rmw) | Structure of N-terminal truncated IMP bound Plasmodium falciparum IMP-nucleotidase | Descriptor: | GLYCEROL, IMP-specific 5'-nucleotidase, putative, ... | Authors: | Carrique, L, Ballut, L, Violot, S, Aghajari, N. | Deposit date: | 2019-05-07 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure and catalytic regulation of Plasmodium falciparum IMP specific nucleotidase. Nat Commun, 11, 2020
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6RMO
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![BU of 6rmo by Molmil](/molmil-images/mine/6rmo) | Structure of Plasmodium falciparum IMP-nucleotidase | Descriptor: | IMP-specific 5'-nucleotidase, putative | Authors: | Carrique, L, Ballut, L, Violot, S, Aghajari, N. | Deposit date: | 2019-05-07 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and catalytic regulation of Plasmodium falciparum IMP specific nucleotidase. Nat Commun, 11, 2020
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6RMD
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![BU of 6rmd by Molmil](/molmil-images/mine/6rmd) | Structure of ATP bound Plasmodium falciparum IMP-nucleotidase | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, IMP-specific 5'-nucleotidase, ... | Authors: | Carrique, L, Ballut, L, Violot, S, Aghajari, N. | Deposit date: | 2019-05-06 | Release date: | 2020-07-15 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure and catalytic regulation of Plasmodium falciparum IMP specific nucleotidase. Nat Commun, 11, 2020
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6ECU
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![BU of 6ecu by Molmil](/molmil-images/mine/6ecu) | |
8E90
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![BU of 8e90 by Molmil](/molmil-images/mine/8e90) | Inhibition of Human Menin by SNDX-5613 | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide, ... | Authors: | McKeever, B.M, KULKARNI, S, McGeehan, G.M. | Deposit date: | 2022-08-26 | Release date: | 2022-12-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | MEN1 mutations mediate clinical resistance to menin inhibition. Nature, 615, 2023
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7UJ4
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![BU of 7uj4 by Molmil](/molmil-images/mine/7uj4) | Inhibition of Human Menin by SNDX-5613 | Descriptor: | 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide, Isoform 2 of Menin, MAGNESIUM ION | Authors: | McKeever, B.M, Kulkarni, S, McGeehan, G.M. | Deposit date: | 2022-03-30 | Release date: | 2022-12-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | MEN1 mutations mediate clinical resistance to menin inhibition. Nature, 615, 2023
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4G63
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![BU of 4g63 by Molmil](/molmil-images/mine/4g63) | Crystal structure of cytosolic IMP-GMP specific 5'-nucleotidase (lpg0095) in complex with phosphate ions from Legionella pneumophila, Northeast Structural Genomics Consortium Target LgR1 | Descriptor: | Cytosolic IMP-GMP specific 5'-nucleotidase, PHOSPHATE ION | Authors: | Forouhar, F, Abashidze, M, Seetharaman, J, Ho, C.K, Ciccosanti, C, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-07-18 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Allosteric regulation and substrate activation in cytosolic nucleotidase II from Legionella pneumophila. Febs J., 281, 2014
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3I6O
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![BU of 3i6o by Molmil](/molmil-images/mine/3i6o) | Crystal structure of wild type HIV-1 protease with macrocyclic inhibitor GRL-0216A | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-2-hydroxy-3-[(7E)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]propyl}carbamate, GLYCEROL, IODIDE ION, ... | Authors: | Chumanevich, A.A, Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T. | Deposit date: | 2009-07-07 | Release date: | 2009-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Design, Synthesis, Protein-Ligand X-ray Structure, and Biological Evaluation of a Series of Novel Macrocyclic Human Immunodeficiency Virus-1 Protease Inhibitors to Combat Drug Resistance. J.Med.Chem., 52, 2009
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3I7E
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![BU of 3i7e by Molmil](/molmil-images/mine/3i7e) | Co-crystal structure of HIV-1 protease bound to a mutant resistant inhibitor UIC-98038 | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE, HIV-1 protease | Authors: | Hong, L, Tang, J, Ghosh, A. | Deposit date: | 2009-07-08 | Release date: | 2009-09-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design, Synthesis, Protein-Ligand X-ray Structure, and Biological Evaluation of a Series of Novel Macrocyclic Human Immunodeficiency Virus-1 Protease Inhibitors to Combat Drug Resistance. J.Med.Chem., 52, 2009
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7KXL
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![BU of 7kxl by Molmil](/molmil-images/mine/7kxl) | BTK1 SOAKED WITH COMPOUND 5, Y551 IS SEQUESTERED | Descriptor: | 3-tert-butyl-N-({2-fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | Authors: | Gardberg, A. | Deposit date: | 2020-12-04 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 40, 2021
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7KXO
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![BU of 7kxo by Molmil](/molmil-images/mine/7kxo) | BTK1 SOAKED WITH COMPOUND 24 | Descriptor: | 3-tert-butyl-N-[(1R)-6-{2-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK | Authors: | Viacava Follis, A. | Deposit date: | 2020-12-04 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 40, 2021
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7KXN
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![BU of 7kxn by Molmil](/molmil-images/mine/7kxn) | BTK1 SOAKED WITH COMPOUND 26 | Descriptor: | 3-tert-butyl-N-[(1S)-6-{2-[5-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK | Authors: | Viacava Follis, A. | Deposit date: | 2020-12-04 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 40, 2021
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7KXP
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![BU of 7kxp by Molmil](/molmil-images/mine/7kxp) | BTK1 SOAKED WITH COMPOUND 25 | Descriptor: | 3-tert-butyl-N-[(1S)-6-{2-[3-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | Authors: | Viacava Follis, A. | Deposit date: | 2020-12-04 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 40, 2021
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7KXQ
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![BU of 7kxq by Molmil](/molmil-images/mine/7kxq) | BTK1 SOAKED WITH COMPOUND 30 | Descriptor: | 3-tert-butyl-N-[(5R)-2-{2-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK | Authors: | Viacava Follis, A. | Deposit date: | 2020-12-04 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 40, 2021
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7KXM
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![BU of 7kxm by Molmil](/molmil-images/mine/7kxm) | BTK1 SOAKED WITH COMPOUND 5, Y551 IS SEQUESTERED | Descriptor: | 4-tert-butyl-N-(2-methyl-3-{2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl}phenyl)benzamide, Tyrosine-protein kinase BTK | Authors: | Gardberg, A. | Deposit date: | 2020-12-04 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 40, 2021
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4GOX
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![BU of 4gox by Molmil](/molmil-images/mine/4gox) | |