6CDB
 
 | | Crystal Structure of V66L CzrA in the Zn(II)bound state | | Descriptor: | ArsR family transcriptional regulator, CHLORIDE ION, SODIUM ION, ... | | Authors: | Capdevila, D.A, Campanello, G, Gonzalez-Gutierrez, G, Giedroc, D.P. | | Deposit date: | 2018-02-08 | | Release date: | 2018-07-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Functional Role of Solvent Entropy and Conformational Entropy of Metal Binding in a Dynamically Driven Allosteric System.
J. Am. Chem. Soc., 140, 2018
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1UC5
 | | Structure of diol dehydratase complexed with (R)-1,2-propanediol | | Descriptor: | AMMONIUM ION, CYANOCOBALAMIN, POTASSIUM ION, ... | | Authors: | Shibata, N, Nakanishi, Y, Fukuoka, M, Yamanishi, M, Yasuoka, N, Toraya, T. | | Deposit date: | 2003-04-08 | | Release date: | 2003-07-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural rationalization for the lack of stereospecificity in coenzyme B12-dependent diol dehydratase
J.Biol.Chem., 278, 2003
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6CEC
 | | Crystal structure of fragment 3-(3-Methoxy-2-quinoxalinyl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | Descriptor: | 3-(3-methoxyquinoxalin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-11 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
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6CEF
 | | Crystal structure of fragment 3-(1,3-Benzothiazol-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | Descriptor: | 3-(1,3-benzothiazol-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-11 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
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5J6F
 | | Crystal structure of DAH7PS-CM complex from Geobacillus sp. with prephenate | | Descriptor: | 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase, chorismate mutase-isozyme 3, MANGANESE (II) ION, ... | | Authors: | Nazmi, A.R, Othman, M, Lang, E.J.M, Bai, Y, Allison, T.M, Panjkar, S, Arcus, V.L, Parker, E.J. | | Deposit date: | 2016-04-04 | | Release date: | 2016-09-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Interdomain Conformational Changes Provide Allosteric Regulation en Route to Chorismate.
J. Biol. Chem., 291, 2016
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2FB5
 | | Structural Genomics; The crystal structure of the hypothetical membrane spanning protein from Bacillus cereus | | Descriptor: | hypothetical Membrane Spanning Protein | | Authors: | Zhang, R, Zhou, M, Ginell, S, Abdullah, J, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-12-08 | | Release date: | 2006-01-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The crystal structure of the hypothetical membrane spanning protein from Bacillus cereus
To be Published
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4B7N
 | | H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE, ... | | Authors: | van der Vries, E, Vachieri, S.G, Xiong, X, Liu, J, Collins, P.J, Walker, P.A, Haire, L.F, Hay, A.J, Schutten, M, Osterhaus, A.D.M.E, Martin, S.R, Boucher, C.A.B, Skehel, J.J, Gamblin, S.J. | | Deposit date: | 2012-08-21 | | Release date: | 2012-10-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis
Plos Pathog., 8, 2012
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4B7Q
 | | H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE, ... | | Authors: | Liu, J, van der Vries, E, Vachieri, S.G, Xiong, X, Collins, P.J, Walker, P.A, Haire, L.F, Hay, A.J, Schutten, M, Osterhaus, A.D.M.E, Martin, S.R, Boucher, C.A.B, Skehel, J.J, Gamblin, S.J. | | Deposit date: | 2012-08-21 | | Release date: | 2012-10-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.728 Å) | | Cite: | H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis
Plos Pathog., 8, 2012
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5S9P
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide | | Descriptor: | 1,2-ETHANEDIOL, 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide, Bromodomain-containing protein 4 | | Authors: | Sheriff, S. | | Deposit date: | 2021-04-01 | | Release date: | 2021-09-29 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design.
J.Med.Chem., 64, 2021
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5S9Q
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide | | Descriptor: | 1,2-ETHANEDIOL, 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide, Bromodomain-containing protein 4 | | Authors: | Sheriff, S. | | Deposit date: | 2021-04-01 | | Release date: | 2021-09-29 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design.
J.Med.Chem., 64, 2021
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4B7R
 | | H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Liu, J, van der Vries, E, Vachieri, S.G, Xiong, X, Collins, P.J, Walker, P.A, Haire, L.F, Hay, A.J, Schutten, M, Osterhaus, A.D.M.E, Martin, S.R, Boucher, C.A.B, Skehel, J.J, Gamblin, S.J. | | Deposit date: | 2012-08-21 | | Release date: | 2012-10-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis
Plos Pathog., 8, 2012
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4B7J
 | | H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | van der Vries, E, Vachieri, S.G, Xiong, X, Liu, J, Collins, P.J, Walker, P.A, Haire, L.F, Hay, A.J, Schutten, M, Osterhaus, A.D.M.E, Martin, S.R, Boucher, C.A.B, Skehel, J.J, Gamblin, S.J. | | Deposit date: | 2012-08-20 | | Release date: | 2012-10-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.417 Å) | | Cite: | H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis
Plos Pathog., 8, 2012
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4K34
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4K5U
 | | Recognition of the BG-H Antigen by a Lamprey Variable Lymphocyte Receptor | | Descriptor: | Variable lymphocyte receptor, beta-D-galactopyranose | | Authors: | Luo, M, Velikovsky, C.A, Yang, X.B, Mariuzza, R.A. | | Deposit date: | 2013-04-15 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Recognition of the thomsen-friedenreich pancarcinoma carbohydrate antigen by a lamprey variable lymphocyte receptor.
J.Biol.Chem., 288, 2013
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6J1M
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5MSV
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6BE1
 | | Cryo-EM structure of serotonin receptor | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Basak, S, Chakrapani, S. | | Deposit date: | 2017-10-24 | | Release date: | 2018-02-07 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.31 Å) | | Cite: | Cryo-EM structure of 5-HT
Nat Commun, 9, 2018
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6J1N
 | | Anisodus acutangulus type III polyketide sythase AaPKS2 in complex with 4-carboxy-3-oxobutanoyl-CoA | | Descriptor: | (3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19,21-tetraoxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name), A. acutangulus PKS2 | | Authors: | Fang, C.L, Zhang, Y. | | Deposit date: | 2018-12-28 | | Release date: | 2019-09-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.532 Å) | | Cite: | Tropane alkaloids biosynthesis involves an unusual type III polyketide synthase and non-enzymatic condensation.
Nat Commun, 10, 2019
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4X6X
 | | Human soluble epoxide hydrolase in complex with a three substituted cyclopropane derivative | | Descriptor: | 3-{4-[(1-{[(1s,2R,3S)-2,3-diphenylcyclopropyl]carbamoyl}piperidin-4-yl)oxy]phenyl}propanoic acid, Bifunctional epoxide hydrolase 2 | | Authors: | Chiyo, N, Takai, K, Ishii, T. | | Deposit date: | 2014-12-09 | | Release date: | 2015-04-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Three-dimensional rational approach to the discovery of potent substituted cyclopropyl urea soluble epoxide hydrolase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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3G17
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1VZH
 | | Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray induced photoreduction | | Descriptor: | CALCIUM ION, DESULFOFERRODOXIN, FE (III) ION, ... | | Authors: | Adam, V, Royant, A, Niviere, V, Molina-Heredia, F.P, Bourgeois, D. | | Deposit date: | 2004-05-19 | | Release date: | 2004-08-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray-induced photo-reduction.
Structure, 12, 2004
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2CMF
 | | Torpedo californica acetylcholinesterase complexed with alkylene- linked bis-tacrine dimer (5 carbon linker) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLPENTANE-1,5-DIAMINE | | Authors: | Rydberg, E.H, Brumshtein, B, Greenblatt, H.M, Wong, D.M, Pang, Y.P, Silman, I, Sussman, J.L. | | Deposit date: | 2006-05-08 | | Release date: | 2006-09-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Complexes of alkylene-linked tacrine dimers with Torpedo californica acetylcholinesterase: Binding of Bis5-tacrine produces a dramatic rearrangement in the active-site gorge.
J. Med. Chem., 49, 2006
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4MSW
 | | Y78 ester mutant of KcsA in high K+ | | Descriptor: | ANTIBODY FAB FRAGMENT HEAVY CHAIN, ANTIBODY FAB FRAGMENT LIGHT CHAIN, DIACYL GLYCEROL, ... | | Authors: | Matulef, K, Valiyaveetil, F.I. | | Deposit date: | 2013-09-18 | | Release date: | 2013-10-30 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Using protein backbone mutagenesis to dissect the link between ion occupancy and C-type inactivation in K+ channels.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4YI3
 | | Crystal structure of Gpb in complex with 4a | | Descriptor: | DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ... | | Authors: | Kantsadi, A.L, Chatzileontiadou, D.S.M, Stravodimos, G.A, Leonidas, D.D. | | Deposit date: | 2015-02-27 | | Release date: | 2015-11-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Glycogen phosphorylase as a target for type 2 diabetes: synthetic, biochemical, structural and computational evaluation of novel N-acyl-N -( beta-D-glucopyranosyl) urea inhibitors.
Curr Top Med Chem, 15, 2015
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2BL9
 | | X-ray crystal structure of Plasmodium vivax dihydrofolate reductase in complex with pyrimethamine and its derivative | | Descriptor: | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Kongsaeree, P, Khongsuk, P, Leartsakulpanich, U, Chitnumsub, P, Tarnchompoo, B, Walkinshaw, M.D, Yuthavong, Y. | | Deposit date: | 2005-03-02 | | Release date: | 2005-09-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of Dihydrofolate Reductase from Plasmodium Vivax: Pyrimethamine Displacement Linked with Mutation-Induced Resistance.
Proc.Natl.Acad.Sci.USA, 102, 2005
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