1SMU
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![BU of 1smu by Molmil](/molmil-images/mine/1smu) | Crystal Structure of Cp Rd L41A mutant in reduced state 1 (drop-reduced) | Descriptor: | FE (II) ION, Rubredoxin | Authors: | Park, I.Y, Youn, B, Harley, J.L, Eidsness, M.K, Smith, E, Ichiye, T, Kang, C. | Deposit date: | 2004-03-09 | Release date: | 2004-03-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | The unique hydrogen bonded water in the reduced form of Clostridium pasteurianum rubredoxin and its possible role in electron transfer J.BIOL.INORG.CHEM., 9, 2004
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1SMW
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![BU of 1smw by Molmil](/molmil-images/mine/1smw) | Crystal Structure of Cp Rd L41A mutant in reduced state 2 (soaked) | Descriptor: | FE (II) ION, Rubredoxin | Authors: | Park, I.Y, Youn, B, Harley, J.L, Eidsness, M.K, Smith, E, Ichiye, T, Kang, C. | Deposit date: | 2004-03-09 | Release date: | 2004-03-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | The unique hydrogen bonded water in the reduced form of Clostridium pasteurianum rubredoxin and its possible role in electron transfer J.BIOL.INORG.CHEM., 9, 2004
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1SMM
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![BU of 1smm by Molmil](/molmil-images/mine/1smm) | Crystal Structure of Cp Rd L41A mutant in oxidized state | Descriptor: | FE (III) ION, Rubredoxin, SULFATE ION | Authors: | Park, I.Y, Youn, B, Harley, J.L, Eidsness, M.K, Smith, E, Ichiye, T, Kang, C. | Deposit date: | 2004-03-09 | Release date: | 2004-03-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | The unique hydrogen bonded water in the reduced form of Clostridium pasteurianum rubredoxin and its possible role in electron transfer J.BIOL.INORG.CHEM., 9, 2004
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8EU5
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![BU of 8eu5 by Molmil](/molmil-images/mine/8eu5) | |
5I2X
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![BU of 5i2x by Molmil](/molmil-images/mine/5i2x) | Crystal Structure of TPP1 K170del | Descriptor: | Adrenocortical dysplasia protein homolog | Authors: | Nandakumar, J, Smith, E. | Deposit date: | 2016-02-09 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and functional consequences of a disease mutation in the telomere protein TPP1. Proc.Natl.Acad.Sci.USA, 113, 2016
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8U5M
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![BU of 8u5m by Molmil](/molmil-images/mine/8u5m) | Structure of Sts-1 HP domain with rebamipide | Descriptor: | Rebamipide, Ubiquitin-associated and SH3 domain-containing protein B | Authors: | Azia, F, Dey, R, French, J.B. | Deposit date: | 2023-09-12 | Release date: | 2024-02-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Rebamipide and Derivatives are Potent, Selective Inhibitors of Histidine Phosphatase Activity of the Suppressor of T Cell Receptor Signaling Proteins. J.Med.Chem., 67, 2024
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8U7E
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![BU of 8u7e by Molmil](/molmil-images/mine/8u7e) | Structure of Sts-1 HP domain with rebamipide derivative | Descriptor: | N-(4-ethylbenzoyl)-3-(2-oxo-1,2-dihydroquinolin-4-yl)-L-alanine, Ubiquitin-associated and SH3 domain-containing protein B | Authors: | Aziz, F, Dey, R, French, J.B. | Deposit date: | 2023-09-15 | Release date: | 2024-02-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Rebamipide and Derivatives are Potent, Selective Inhibitors of Histidine Phosphatase Activity of the Suppressor of T Cell Receptor Signaling Proteins. J.Med.Chem., 67, 2024
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3KC6
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![BU of 3kc6 by Molmil](/molmil-images/mine/3kc6) | |
3KHW
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![BU of 3khw by Molmil](/molmil-images/mine/3khw) | |
3L56
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![BU of 3l56 by Molmil](/molmil-images/mine/3l56) | Crystal structure of the large c-terminal domain of polymerase basic protein 2 from influenza virus a/viet nam/1203/2004 (h5n1) | Descriptor: | Polymerase PB2 | Authors: | Staker, B.L, Edwards, T, Eric, S, Raymond, A, Stewart, L, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2009-12-21 | Release date: | 2010-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Biological and structural characterization of a host-adapting amino acid in influenza virus. Plos Pathog., 6, 2010
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2HQ6
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![BU of 2hq6 by Molmil](/molmil-images/mine/2hq6) | Structure of the Cyclophilin_CeCYP16-Like Domain of the Serologically Defined Colon Cancer Antigen 10 from Homo Sapiens | Descriptor: | GLYCEROL, IODIDE ION, Serologically defined colon cancer antigen 10 | Authors: | Walker, J.R, Davis, T, Paramanathan, R, Newman, E.M, Finerty Jr, P.J, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2006-07-18 | Release date: | 2006-08-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases. PLoS Biol., 8, 2010
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3R4N
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![BU of 3r4n by Molmil](/molmil-images/mine/3r4n) | Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide | Descriptor: | 4-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methylpyrimidin-2-amine, Heat shock protein HSP 90-alpha | Authors: | Gajiwala, K.S. | Deposit date: | 2011-03-17 | Release date: | 2011-04-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide. J.Med.Chem., 54, 2011
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3R4O
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![BU of 3r4o by Molmil](/molmil-images/mine/3r4o) | Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide | Descriptor: | 2-amino-N-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide, Heat shock protein HSP 90-alpha | Authors: | Gajiwala, K.S. | Deposit date: | 2011-03-17 | Release date: | 2011-04-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide. J.Med.Chem., 54, 2011
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3R4M
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![BU of 3r4m by Molmil](/molmil-images/mine/3r4m) | Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide | Descriptor: | 4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDIN-2-AMINE, Heat shock protein HSP 90-alpha | Authors: | Almassy, R.J. | Deposit date: | 2011-03-17 | Release date: | 2011-04-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide. J.Med.Chem., 54, 2011
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3R4P
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![BU of 3r4p by Molmil](/molmil-images/mine/3r4p) | Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide | Descriptor: | 2-amino-4-{2,4-dichloro-6-[2-(1H-pyrazol-1-yl)ethoxy]phenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide, Heat shock protein HSP 90-alpha, PHOSPHATE ION | Authors: | Gajiwala, K.S. | Deposit date: | 2011-03-17 | Release date: | 2011-04-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide. J.Med.Chem., 54, 2011
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4DDS
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![BU of 4dds by Molmil](/molmil-images/mine/4dds) | CTX-M-9 class A beta-lactamase complexed with compound 11 | Descriptor: | 3-(pyrimidin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE | Authors: | Nichols, D.A, Chen, Y. | Deposit date: | 2012-01-19 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
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4DE0
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![BU of 4de0 by Molmil](/molmil-images/mine/4de0) | CTX-M-9 class A beta-lactamase complexed with compound 16 | Descriptor: | Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide | Authors: | Nichols, D.N, Chen, Y. | Deposit date: | 2012-01-19 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
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4DE2
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![BU of 4de2 by Molmil](/molmil-images/mine/4de2) | CTX-M-9 class A beta-lactamase complexed with compound 12 | Descriptor: | 3-[(dimethylamino)methyl]-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE | Authors: | Nichols, D.A, Chen, Y. | Deposit date: | 2012-01-19 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
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4DDY
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![BU of 4ddy by Molmil](/molmil-images/mine/4ddy) | CTX-M-9 class A beta-lactamase complexed with compound 10 | Descriptor: | Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide | Authors: | Nichols, D.A, Chen, Y. | Deposit date: | 2012-01-19 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
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4DE1
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![BU of 4de1 by Molmil](/molmil-images/mine/4de1) | CTX-M-9 class A beta-lactamase complexed with compound 18 | Descriptor: | Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-2H-indazole-5-carboxamide | Authors: | Nichols, D.A, Chen, Y. | Deposit date: | 2012-01-19 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
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4DE3
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![BU of 4de3 by Molmil](/molmil-images/mine/4de3) | CTX-M-9 class A beta-lactamase complexed with compound 4 | Descriptor: | 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE | Authors: | Nichols, D.A, Chen, Y. | Deposit date: | 2012-01-19 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
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4PWN
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![BU of 4pwn by Molmil](/molmil-images/mine/4pwn) | Crystal structure of Active WNK1 kinase | Descriptor: | PHOSPHATE ION, Serine/threonine-protein kinase WNK1 | Authors: | Piala, A, Moon, T, Akella, T, He, H, Cobbm, M.H, Goldsmith, E. | Deposit date: | 2014-03-20 | Release date: | 2014-05-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Chloride Sensing by WNK1 Involves Inhibition of Autophosphorylation. Sci.Signal., 7, 2014
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4Q2A
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![BU of 4q2a by Molmil](/molmil-images/mine/4q2a) | WNK1: A chloride sensor via autophosphorylation | Descriptor: | BROMIDE ION, Serine/threonine-protein kinase WNK1 | Authors: | Piala, A, Moon, T, Akella, R, He, H, Cobb, M.H, Goldsmith, E. | Deposit date: | 2014-04-07 | Release date: | 2014-05-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Chloride Sensing by WNK1 Involves Inhibition of Autophosphorylation. Sci.Signal., 7, 2014
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8SBM
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![BU of 8sbm by Molmil](/molmil-images/mine/8sbm) | Crystal structure of the wild-type Catalytic ATP-binding domain of Mtb DosS | Descriptor: | 1,2-ETHANEDIOL, GAF domain-containing protein, SODIUM ION, ... | Authors: | Larson, G, Shi, K, Aihara, H, Bhagi-Damodaran, A. | Deposit date: | 2023-04-03 | Release date: | 2023-11-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Understanding ATP Binding to DosS Catalytic Domain with a Short ATP-Lid. Biochemistry, 62, 2023
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1PYG
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![BU of 1pyg by Molmil](/molmil-images/mine/1pyg) | |