3GVD
 
 | | Crystal Structure of Serine Acetyltransferase CysE from Yersinia pestis | | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ACETIC ACID, CYSTEINE, ... | | Authors: | Kim, Y, Zhou, M, Peterson, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-03-30 | | Release date: | 2009-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of Serine Acetyltransferase CysE from Yersinia pestis
To be Published
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2CFU
 | | Crystal structure of SdsA1, an alkylsulfatase from Pseudomonas aeruginosa, in complex with 1-decane-sulfonic-acid. | | Descriptor: | 1-DECANE-SULFONIC-ACID, DI(HYDROXYETHYL)ETHER, ISOPROPYL ALCOHOL, ... | | Authors: | Hagelueken, G, Adams, T.M, Wiehlmann, L, Widow, U, Kolmar, H, Tuemmler, B, Heinz, D.W, Schubert, W.-D. | | Deposit date: | 2006-02-23 | | Release date: | 2006-04-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Crystal Structure of Sdsa1, an Alkylsulfatase from Pseudomonas Aeruginosa, Defines a Third Class of Sulfatases.
Proc.Natl.Acad.Sci.USA, 103, 2006
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1SM8
 | | M. tuberculosis dUTPase complexed with chromium and dUTP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHROMIUM ION, DEOXYURIDINE-5'-TRIPHOSPHATE, ... | | Authors: | Sawaya, M.R, Chan, S, Segelke, B, Lekin, T, Krupka, H, Cho, U.S, Kim, M.-Y, So, M, Kim, C.-Y, Naranjo, C.M, Rogers, Y.C, Park, M.S, Waldo, G.S, Pashkov, I, Cascio, D, Yeates, T.O, Perry, J.L, Terwilliger, T.C, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2004-03-08 | | Release date: | 2004-03-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of the Mycobacterium tuberculosis dUTPase: insights into the catalytic mechanism.
J.Mol.Biol., 341, 2004
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3H0V
 | | Human AdoMetDC with 5'-Deoxy-5'-(dimethylsulfonio) adenosine | | Descriptor: | 1,4-DIAMINOBUTANE, 5'-deoxy-5'-(dimethyl-lambda~4~-sulfanyl)adenosine, PYRUVIC ACID, ... | | Authors: | Bale, S, Brooks, W.H, Hanes, J.W, Mahesan, A.M, Guida, W.C, Ealick, S.E. | | Deposit date: | 2009-04-10 | | Release date: | 2009-06-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Role of the sulfonium center in determining the ligand specificity of human s-adenosylmethionine decarboxylase.
Biochemistry, 48, 2009
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3H1Y
 | | Crystal structure of mannose 6-phosphate isomerase from Salmonella typhimurium bound to substrate (f6p)and metal atom (zn) | | Descriptor: | 1,2-ETHANEDIOL, 6-O-phosphono-beta-D-fructofuranose, Mannose-6-phosphate isomerase, ... | | Authors: | Sagurthi, S.R, Giri, G, Savithri, H.S, Murthy, M.R.N. | | Deposit date: | 2009-04-14 | | Release date: | 2009-05-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Crystal structure of mannose 6-phosphate isomerase from Salmonella typhimurium bound to metal atoms and substrate: Implications for catalytic mechanism
To be published
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3PB7
 | | Crystal structure of the catalytic domain of human Golgi-resident glutaminyl cyclase in complex with PBD150 | | Descriptor: | 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, Glutaminyl-peptide cyclotransferase-like protein, ZINC ION | | Authors: | Huang, K.F, Liaw, S.S, Huang, W.L, Chia, C.Y, Lo, Y.C, Chen, Y.L, Wang, A.H.J. | | Deposit date: | 2010-10-20 | | Release date: | 2011-02-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structures of human Golgi-resident glutaminyl cyclase and its complexes with inhibitors reveal a large loop movement upon inhibitor binding
J.Biol.Chem., 286, 2011
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1SXK
 | | Crystal Structure of a complex formed between phospholipase A2 and a non-specific anti-inflammatory amino salicylic acid at 1.2 A resolution | | Descriptor: | 2-HYDROXY-4-AMINOBENZOIC ACID, Phospholipase A2 VRV-PL-VIIIa, SULFATE ION | | Authors: | Singh, N, Bilgrami, S, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2004-03-31 | | Release date: | 2004-04-13 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Crystal Structure of a complex formed between phospholipase A2 and a non-specific anti-inflammatory amino salicylic acid at 1.2 A resolution
To be Published
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1T4B
 | | 1.6 Angstrom structure of Esherichia coli aspartate-semialdehyde dehydrogenase. | | Descriptor: | Aspartate-semialdehyde dehydrogenase, SODIUM ION | | Authors: | Nichols, C.E, Dhaliwal, B, Lockyer, M, Hawkins, A.R, Stammers, D.K. | | Deposit date: | 2004-04-29 | | Release date: | 2004-07-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | High-resolution Structures Reveal Details of Domain Closure and "Half-of-sites-reactivity" in Escherichia coli Aspartate beta-Semialdehyde Dehydrogenase.
J.Mol.Biol., 341, 2004
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3P1A
 | | Structure of human Membrane-associated Tyrosine- and Threonine-specific cdc2-inhibitory kinase MYT1 (PKMYT1) | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase | | Authors: | Chaikuad, A, Eswaran, J, Fedorov, O, Cooper, C.D.O, Kroeler, T, Vollmar, M, Krojer, T, Berridge, G, Muniz, J.R.C, Pike, A.C.W, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-09-30 | | Release date: | 2010-11-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of human Membrane-associated Tyrosine- and Threonine-specific cdc2-inhibitory kinase MYT1 (PKMYT1)
To be Published
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1CNR
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3P5P
 | | Crystal Structure of Taxadiene Synthase from Pacific Yew (Taxus brevifolia) in complex with Mg2+ and 13-aza-13,14-dihydrocopalyl diphosphate | | Descriptor: | 1,2-ETHANEDIOL, 2-(methyl{2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}amino)ethyl trihydrogen diphosphate, MAGNESIUM ION, ... | | Authors: | Koksal, M, Christianson, D.W. | | Deposit date: | 2010-10-10 | | Release date: | 2010-12-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.816 Å) | | Cite: | Taxadiene synthase structure and evolution of modular architecture in terpene biosynthesis.
Nature, 469, 2011
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3H31
 | | Structure of Rhodothermus marinus HiPIP at 1.0 A resolution | | Descriptor: | High potential iron-sulfur protein, IRON/SULFUR CLUSTER | | Authors: | Stelter, M, Melo, A.M.P, Saraiva, L, Teixeira, M, Archer, M. | | Deposit date: | 2009-04-15 | | Release date: | 2009-12-15 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structure at 1.0 A resolution of a high-potential iron-sulfur protein involved in the aerobic respiratory chain of Rhodothermus marinus
J.Biol.Inorg.Chem., 15, 2010
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1D8S
 | | ESCHERICHIA COLI F1 ATPASE | | Descriptor: | F1 ATPASE (ALPHA SUBUNIT), F1 ATPASE (BETA SUBUNIT), F1 ATPASE (GAMMA SUBUNIT) | | Authors: | Hausrath, A.C, Gruber, G, Matthews, B.W, Capaldi, R.A. | | Deposit date: | 1999-10-25 | | Release date: | 1999-12-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (4.4 Å) | | Cite: | Structural features of the gamma subunit of the Escherichia coli F(1) ATPase revealed by a 4.4-A resolution map obtained by x-ray crystallography.
Proc.Natl.Acad.Sci.USA, 96, 1999
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3HKW
 | | HCV NS5B genotype 1a in complex with 1,5 benzodiazepine inhibitor 6 | | Descriptor: | (11S)-10-[(2,5-dimethyl-1,3-oxazol-4-yl)carbonyl]-11-{2-fluoro-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide, GLYCEROL, NS5B RNA-dependent RNA polymerase, ... | | Authors: | Nyanguile, O, De Bondt, H.L. | | Deposit date: | 2009-05-26 | | Release date: | 2010-05-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | 1a/1b subtype profiling of nonnucleoside polymerase inhibitors of hepatitis C virus
J.Virol., 84, 2010
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2Z78
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with BPH-806 | | Descriptor: | 3-(decyloxy)-5-(3,5-difluorophenyl)-1-(2,2-diphosphonoethyl)pyridinium, Geranylgeranyl pyrophosphate synthetase | | Authors: | Chen, C.K.-M, Guo, R.T, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | | Deposit date: | 2007-08-16 | | Release date: | 2008-07-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
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5P98
 | | rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-(2-hydroxyethyl)benzamide at 1.20A | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-(4-fluorophenyl)-2,3-dihydroxy-N-(2-hydroxyethyl)benzamide, ... | | Authors: | Ehler, A, Lerner, C, Rudolph, M.G. | | Deposit date: | 2016-08-30 | | Release date: | 2017-08-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal Structure of a COMT complex
To be published
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1YQD
 | | Sinapyl Alcohol Dehydrogenase complexed with NADP+ | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Bomati, E.K, Noel, J.P. | | Deposit date: | 2005-02-01 | | Release date: | 2005-07-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural and Kinetic Basis for Substrate Selectivity in Populus tremuloides Sinapyl Alcohol Dehydrogenase.
Plant Cell, 17, 2005
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4BJO
 | | Nitrate in the active site of PTP1b is a putative mimetic of the transition state | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Kenny, P.W, Newman, J, Peat, T.S. | | Deposit date: | 2013-04-19 | | Release date: | 2014-02-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Nitrate in the Active Site of Protein Tyrosine Phosphatase 1B is a Putative Mimetic of the Transition State.
Acta Crystallogr.,Sect.D, 70, 2014
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1PBT
 | | The crystal structure of TM1154, oxidoreductase, sol/devB family from Thermotoga maritima | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-phosphogluconolactonase, ... | | Authors: | Kim, Y, Joachimiak, A, Edwards, A, Skarina, T, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2003-05-15 | | Release date: | 2003-09-23 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The crystal structure analysis of TM1154, oxidoreductase from Thermotoga maritima
To be Published
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3PKQ
 | | Q83D Variant of S. Enterica RmlA with dGTP | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, Glucose-1-phosphate thymidylyltransferase, ... | | Authors: | Chang, A, Moretti, R, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2010-11-11 | | Release date: | 2011-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Expanding the Nucleotide and Sugar 1-Phosphate Promiscuity of Nucleotidyltransferase RmlA via Directed Evolution.
J.Biol.Chem., 286, 2011
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1I0A
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1YS2
 | | Burkholderia cepacia lipase complexed with hexylphosphonic acid (S) 2-methyl-3-phenylpropyl ester | | Descriptor: | CALCIUM ION, HEXYLPHOSPHONIC ACID (S)-2-METHYL-3-PHENYLPROPYL ESTER, Lipase | | Authors: | Mezzetti, A, Schrag, J.D, Cheong, C.S, Kazlauskas, R.J. | | Deposit date: | 2005-02-06 | | Release date: | 2005-05-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mirror-Image Packing in Enantiomer Discrimination Molecular Basis for the Enantioselectivity of B.cepacia Lipase toward 2-Methyl-3-Phenyl-1-Propanol.
Chem.Biol., 12, 2005
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4BFD
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL LIGAND | | Descriptor: | BETA-SECRETASE 1, DIMETHYL SULFOXIDE, N-[3-[(1S,3S,6S)-5-azanyl-3-methyl-4-azabicyclo[4.1.0]hept-4-en-3-yl]-4-fluoranyl-phenyl]-5-chloranyl-pyridine-2-carbox amide, ... | | Authors: | Banner, D.W, Benz, J, Stihle, M. | | Deposit date: | 2013-03-18 | | Release date: | 2013-06-19 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Bace1 Inhibitors: A Head Group Scan on a Series of Amides.
Bioorg.Med.Chem.Lett., 23, 2013
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6JWB
 | | Crystal Structures of Endo-beta-1,4-xylanase II Complexed with Xylotriose | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION, ... | | Authors: | Li, C, Wan, Q. | | Deposit date: | 2019-04-19 | | Release date: | 2020-04-22 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
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1I1B
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