6P0N
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![BU of 6p0n by Molmil](/molmil-images/mine/6p0n) | Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds. | Descriptor: | 4-[(6-fluoropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O. | Deposit date: | 2019-05-17 | Release date: | 2020-03-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases. Proc.Natl.Acad.Sci.USA, 117, 2020
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6P0M
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![BU of 6p0m by Molmil](/molmil-images/mine/6p0m) | Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds. | Descriptor: | 4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O. | Deposit date: | 2019-05-17 | Release date: | 2020-03-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases. Proc.Natl.Acad.Sci.USA, 117, 2020
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6P0I
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![BU of 6p0i by Molmil](/molmil-images/mine/6p0i) | Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds. | Descriptor: | 1,2-ETHANEDIOL, 4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid, ACETATE ION, ... | Authors: | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O. | Deposit date: | 2019-05-17 | Release date: | 2020-03-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases. Proc.Natl.Acad.Sci.USA, 117, 2020
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6P0L
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![BU of 6p0l by Molmil](/molmil-images/mine/6p0l) | Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds. | Descriptor: | 4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O. | Deposit date: | 2019-05-17 | Release date: | 2020-03-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases. Proc.Natl.Acad.Sci.USA, 117, 2020
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6P0J
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![BU of 6p0j by Molmil](/molmil-images/mine/6p0j) | Crystal structure of GDP-bound human RalA | Descriptor: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Ral-A | Authors: | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Meroueh, S.O. | Deposit date: | 2019-05-17 | Release date: | 2020-03-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases. Proc.Natl.Acad.Sci.USA, 117, 2020
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3Q9U
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![BU of 3q9u by Molmil](/molmil-images/mine/3q9u) | In silico and in vitro co-evolution of a high affinity complementary protein-protein interface | Descriptor: | COENZYME A, CoA binding protein, consensus ankyrin repeat | Authors: | Karanicolas, J, Corn, J.E, Chen, I, Joachimiak, L.A, Dym, O, Chung, S, Albeck, S, Unger, T, Hu, W, Liu, G, Delbecq, S, Montelione, G.T, Spiegel, C, Liu, D, Baker, D, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-01-10 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A de novo protein binding pair by computational design and directed evolution. Mol.Cell, 42, 2011
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3Q9N
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![BU of 3q9n by Molmil](/molmil-images/mine/3q9n) | In silico and in vitro co-evolution of a high affinity complementary protein-protein interface | Descriptor: | CARBAMOYL SARCOSINE, COENZYME A, CoA binding protein, ... | Authors: | Karanicolas, J, Corn, J.E, Chen, I, Joachimiak, L.A, Dym, O, Chung, S, Albeck, S, Unger, T, Hu, W, Liu, G, Delbecq, S, Montelione, G.T, Spiegel, C, Liu, D, Baker, D, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-01-09 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A de novo protein binding pair by computational design and directed evolution. Mol.Cell, 42, 2011
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6C4P
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![BU of 6c4p by Molmil](/molmil-images/mine/6c4p) | Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: the Structure of the PMP Complex | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, CALCIUM ION, ... | Authors: | Kreinbring, C.A, Tu, Y, Liu, D, Berkowitz, D.B, Petsko, G.A, Ringe, D. | Deposit date: | 2018-01-12 | Release date: | 2018-04-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: One Enzymatic Step at a Time. Biochemistry, 57, 2018
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6C2H
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![BU of 6c2h by Molmil](/molmil-images/mine/6c2h) | Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: the Structure of the Catalytic Core | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Kreinbring, C.A, Tu, Y, Liu, D, Petsko, G.A, Ringe, D. | Deposit date: | 2018-01-08 | Release date: | 2018-04-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: One Enzymatic Step at a Time. Biochemistry, 57, 2018
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6C2Z
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![BU of 6c2z by Molmil](/molmil-images/mine/6c2z) | Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: the Structure of the PLP-Aminoacrylate Intermediate | Descriptor: | 1,2-ETHANEDIOL, 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, CALCIUM ION, ... | Authors: | Kreinbring, C.A, Tu, Y, Liu, D, Petsko, G.A, Ringe, D. | Deposit date: | 2018-01-09 | Release date: | 2018-04-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: One Enzymatic Step at a Time. Biochemistry, 57, 2018
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7R6N
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![BU of 7r6n by Molmil](/molmil-images/mine/7r6n) | Exon-free state of the Tetrahymena group I intron, symmetry-expanded monomer from a synthetic trimeric construct | Descriptor: | Group I intron, MAGNESIUM ION | Authors: | Thelot, F, Liu, D, Liao, M, Yin, P. | Deposit date: | 2021-06-22 | Release date: | 2022-05-04 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Sub-3- angstrom cryo-EM structure of RNA enabled by engineered homomeric self-assembly. Nat.Methods, 19, 2022
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7R6M
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![BU of 7r6m by Molmil](/molmil-images/mine/7r6m) | Post-2S intermediate of the Tetrahymena group I intron, symmetry-expanded monomer from a synthetic dimeric construct | Descriptor: | Group I intron, Ligated exon mimic of the Group I intron, MAGNESIUM ION | Authors: | Thelot, F, Liu, D, Liao, M, Yin, P. | Deposit date: | 2021-06-22 | Release date: | 2022-05-04 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.68 Å) | Cite: | Sub-3- angstrom cryo-EM structure of RNA enabled by engineered homomeric self-assembly. Nat.Methods, 19, 2022
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1L8H
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![BU of 1l8h by Molmil](/molmil-images/mine/1l8h) | DNA PROTECTION AND BINDING BY E. COLI DPS PROTEIN | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA PROTECTION DURING STARVATION PROTEIN, POTASSIUM ION | Authors: | Luo, J, Liu, D, White, M.A, Fox, R.O. | Deposit date: | 2002-03-20 | Release date: | 2003-06-24 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | DNA Protection and Binding by E. Coli Dps Protein To be Published
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7R6L
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![BU of 7r6l by Molmil](/molmil-images/mine/7r6l) | 5 prime exon-free pre-2S intermediate of the Tetrahymena group I intron, symmetry-expanded monomer from a synthetic dimeric construct | Descriptor: | Group I intron, 3 prime fragment plus 3 prime exon, 5 prime fragment, ... | Authors: | Thelot, F, Liu, D, Liao, M, Yin, P. | Deposit date: | 2021-06-22 | Release date: | 2022-05-04 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Sub-3- angstrom cryo-EM structure of RNA enabled by engineered homomeric self-assembly. Nat.Methods, 19, 2022
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1L8I
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![BU of 1l8i by Molmil](/molmil-images/mine/1l8i) | Dna Protection and Binding by E. Coli DPS Protein | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA PROTECTION DURING STARVATION PROTEIN, POTASSIUM ION | Authors: | Luo, J, Liu, D, White, M.A, Fox, R.O. | Deposit date: | 2002-03-20 | Release date: | 2003-06-24 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | DNA Protection and Binding by E. Coli Dps Protein To be Published
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1JRE
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![BU of 1jre by Molmil](/molmil-images/mine/1jre) | DNA PROTECTION AND BINDING BY E. COLI DPS PROTEIN | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, DNA PROTECTION DURING STARVATION PROTEIN | Authors: | Luo, J, Liu, D, White, M.A, Fox, R.O. | Deposit date: | 2001-08-13 | Release date: | 2003-06-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | DNA Protection and Binding by E. Coli Dps Protein To be Published
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6C2Q
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![BU of 6c2q by Molmil](/molmil-images/mine/6c2q) | Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: the Structure of the PLP-L-Serine Intermediate | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Kreinbring, C.A, Tu, Y, Liu, D, Petsko, G.A, Ringe, D. | Deposit date: | 2018-01-08 | Release date: | 2018-04-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: One Enzymatic Step at a Time. Biochemistry, 57, 2018
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1JOY
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![BU of 1joy by Molmil](/molmil-images/mine/1joy) | SOLUTION STRUCTURE OF THE HOMODIMERIC DOMAIN OF ENVZ FROM ESCHERICHIA COLI BY MULTI-DIMENSIONAL NMR. | Descriptor: | PROTEIN (ENVZ_ECOLI) | Authors: | Tomomori, C, Tanaka, T, Dutta, R, Park, H, Saha, S.K, Zhu, Y, Ishima, R, Liu, D, Tong, K.I, Kurokawa, H, Qian, H, Inouye, M, Ikura, M. | Deposit date: | 1998-12-28 | Release date: | 2000-01-12 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of the homodimeric core domain of Escherichia coli histidine kinase EnvZ. Nat.Struct.Biol., 6, 1999
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1JTS
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![BU of 1jts by Molmil](/molmil-images/mine/1jts) | |
8V9M
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![BU of 8v9m by Molmil](/molmil-images/mine/8v9m) | Human Ornithine Aminotransferase cocrystallized with its inhibitor, (R)-3-amino-5,5-difluorocyclohex-1-ene-1-carboxylic acid. | Descriptor: | 3-fluoro-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid, GLYCEROL, Ornithine aminotransferase, ... | Authors: | Vargas, A.L, Devitt, A, Kaley, N, Silverman, R, Liu, D. | Deposit date: | 2023-12-08 | Release date: | 2024-05-08 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Design, Synthesis, and Mechanistic Studies of ( R )-3-Amino-5,5-difluorocyclohex-1-ene-1-carboxylic Acid as an Inactivator of Human Ornithine Aminotransferase. Acs Chem.Biol., 19, 2024
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4Y0I
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![BU of 4y0i by Molmil](/molmil-images/mine/4y0i) | GABA-aminotransferase inactivated by conformationally-restricted inactivator | Descriptor: | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, 4-aminobutyrate aminotransferase, mitochondrial, ... | Authors: | Wu, R, Sanishvili, R, Lee, H.V, Dustin, D.H, Emma, D, Neil, K, Silverman, R.B, Liu, D. | Deposit date: | 2015-02-06 | Release date: | 2016-02-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.662 Å) | Cite: | GABA-aminotransferase inactivated by conformationally-restricted inactivator To Be Published
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4J5F
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![BU of 4j5f by Molmil](/molmil-images/mine/4j5f) | Crystal Structure of B. thuringiensis AiiA mutant F107W | Descriptor: | GLYCEROL, N-acyl homoserine lactonase, ZINC ION | Authors: | Liu, C.F, Liu, D, Momb, J, Thomas, P.W, Lajoie, A, Petsko, G.A, Fast, W, Ringe, D. | Deposit date: | 2013-02-08 | Release date: | 2013-06-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | A phenylalanine clamp controls substrate specificity in the quorum-quenching metallo-gamma-lactonase from Bacillus thuringiensis. Biochemistry, 52, 2013
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4J5H
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![BU of 4j5h by Molmil](/molmil-images/mine/4j5h) | Crystal Structure of B. thuringiensis AiiA mutant F107W with N-decanoyl-L-homoserine bound at the active site | Descriptor: | GLYCEROL, N-acyl homoserine lactonase, N-decanoyl-L-homoserine, ... | Authors: | Liu, C.F, Liu, D, Momb, J, Thomas, P.W, Lajoie, A, Petsko, G.A, Fast, W, Ringe, D. | Deposit date: | 2013-02-08 | Release date: | 2013-06-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | A phenylalanine clamp controls substrate specificity in the quorum-quenching metallo-gamma-lactonase from Bacillus thuringiensis. Biochemistry, 52, 2013
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2FJ2
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![BU of 2fj2 by Molmil](/molmil-images/mine/2fj2) | Crystal Structure of Viral Macrophage Inflammatory Protein-II | Descriptor: | Viral macrophage inflammatory protein-II | Authors: | Li, Y, Liu, D, Cao, R, Kumar, S, Dong, C.Z, wilson, S.R, Gao, Y.G, Huang, Z. | Deposit date: | 2005-12-30 | Release date: | 2006-12-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of chemically synthesized vMIP-II. Proteins, 67, 2007
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2FHT
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![BU of 2fht by Molmil](/molmil-images/mine/2fht) | Crystal Structure of Viral Macrophage Inflammatory Protein-II | Descriptor: | Viral macrophage inflammatory protein-II | Authors: | Li, Y, Liu, D, Cao, R, Kumar, S, Dong, C.Z, wilson, S.R, Gao, Y.G, Huang, Z. | Deposit date: | 2005-12-27 | Release date: | 2006-12-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of chemically synthesized vMIP-II. Proteins, 67, 2007
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