1W0G
 
 | | Crystal structure of human cytochrome P450 3A4 | | Descriptor: | CYTOCHROME P450 3A4, METYRAPONE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Williams, P.A, Cosme, J, Vinkovic, D.M, Ward, A, Angove, H.C, Day, P.J, Vonrhein, C, Tickle, I.J, Jhoti, H. | | Deposit date: | 2004-06-03 | | Release date: | 2004-07-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone
Science, 305, 2004
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1RUW
 | | Crystal structure of the SH3 domain from S. cerevisiae Myo3 | | Descriptor: | IMIDAZOLE, Myosin-3 isoform | | Authors: | Kursula, P, Kursula, I, Lehmann, F, Song, Y.H, Wilmanns, M. | | Deposit date: | 2003-12-12 | | Release date: | 2005-03-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the SH3 domain from S. cerevisiae Myo3
To be Published
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3FWH
 | | Structure of haloalkane dehalogenase mutant Dha15 (I135F/C176Y) from Rhodococcus rhodochrous | | Descriptor: | ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase, ... | | Authors: | Gavira, J.A, Stsiapanava, A, Kuty, M, Dohnalek, J, Lapkouski, M, Kuta Smatanova, I. | | Deposit date: | 2009-01-18 | | Release date: | 2010-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Atomic resolution studies of haloalkane dehalogenases DhaA04, DhaA14 and DhaA15 with engineered access tunnels.
Acta Crystallogr.,Sect.D, 66, 2010
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5WBB
 | | Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins - S112A | | Descriptor: | COPPER (II) ION, GLYCEROL, SULFATE ION, ... | | Authors: | Mann, S.I, Heinisch, T, Ward, T.R, Borovik, A.S. | | Deposit date: | 2017-06-28 | | Release date: | 2017-11-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins.
J. Am. Chem. Soc., 139, 2017
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6GH9
 | | USP15 catalytic domain in complex with small molecule | | Descriptor: | 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, DIMETHYL SULFOXIDE, Ubiquitin carboxyl-terminal hydrolase 15, ... | | Authors: | Ward, S.J, Gratton, H.E, Caulton, S.G, Emsley, J, Dreveny, I. | | Deposit date: | 2018-05-06 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | The structure of the deubiquitinase USP15 reveals a misaligned catalytic triad and an open ubiquitin-binding channel.
J. Biol. Chem., 293, 2018
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1W0F
 | | Crystal structure of human cytochrome P450 3A4 | | Descriptor: | CYTOCHROME P450 3A4, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Williams, P.A, Cosme, J, Vinkovic, D.M, Ward, A, Angove, H.C, Day, P.J, Vonrhein, C, Tickle, I.J, Jhoti, H. | | Deposit date: | 2004-06-03 | | Release date: | 2004-07-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone
Science, 305, 2004
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3PEN
 | | Structure of archaeal initiation factor aIF2gamma subunit delta 37-47 from Sulfolobus solfataricus in the GDP-bound form. | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Arkhipova, V.I, Lazopulo, A.M, Lazopulo, S.M, Garber, M.B, Nikonov, O.S, Nikonov, S.V, Gabdoulkhakov, A.G. | | Deposit date: | 2010-10-27 | | Release date: | 2011-05-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3005 Å) | | Cite: | Structure of archaeal initiation factor aIF2gamma subunit from Sulfolobus solfataricus in the GDP-bound form.
TO BE PUBLISHED
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5L92
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8AND
 | | Domain swapped dimer of smolstatin (stefin) from Sphaerospora molnari | | Descriptor: | 1,2-ETHANEDIOL, Smolstatin | | Authors: | Havlickova, P, Bartosova-Sojkova, P, Sojka, D, Kascakova, B, Gavira, J.A, Kuta Smatanova, I. | | Deposit date: | 2022-08-05 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.991 Å) | | Cite: | Domain swapped dimer of smolstatin (stefin) from Sphaerospora molnari
To Be Published
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6GK2
 | | Helical reconstruction of BCL10 CARD and MALT1 DEATH DOMAIN complex | | Descriptor: | B-cell lymphoma/leukemia 10, Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | | Authors: | Schlauderer, F, Desfosses, A, Gutsche, I, Hopfner, K.P, Lammens, K. | | Deposit date: | 2018-05-18 | | Release date: | 2018-10-31 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | Molecular architecture and regulation of BCL10-MALT1 filaments.
Nat Commun, 9, 2018
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6GL8
 | | Crystal structure of Bcl-2 in complex with the novel orally active inhibitor S55746 | | Descriptor: | Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide | | Authors: | Casara, P, Davidson, J, Claperon, A, Le Toumelin-Braizat, G, Vogler, M, Bruno, A, Chanrion, M, Lysiak-Auvity, G, Le Diguarher, T, Starck, J.B, Chen, I, Whitehead, N, Graham, C, Matassova, N, Dokurno, P, Pedder, C, Wang, Y, Qiu, S, Girard, A.M, Schneider, E, Grave, F, Studeny, A, Guasconi, G, Rocchetti, F, Maiga, S, Henlin, J.M, Colland, F, Kraus-Berthier, L, Le Gouill, S, Dyer, M.J.S, Hubbard, R, Wood, M, Amiot, M, Cohen, G.M, Hickman, J.A, Morris, E, Murray, J, Geneste, O. | | Deposit date: | 2018-05-23 | | Release date: | 2018-11-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | S55746 is a novel orally active BCL-2 selective and potent inhibitor that impairs hematological tumor growth.
Oncotarget, 9, 2018
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5WSN
 | | Structure of Japanese encephalitis virus | | Descriptor: | E protein, M protein | | Authors: | Wang, X, Zhu, L, Li, S, Yuan, S, Qin, C, Fry, E.E, Stuart, I.D, Rao, Z. | | Deposit date: | 2016-12-07 | | Release date: | 2017-05-17 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Near-atomic structure of Japanese encephalitis virus reveals critical determinants of virulence and stability
Nat Commun, 8, 2017
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4KE9
 | | Crystal structure of Monoglyceride lipase from Bacillus sp. H257 in complex with an 1-stearyol glycerol analogue | | Descriptor: | Thermostable monoacylglycerol lipase, hexadecyl hydrogen (R)-(3-azidopropyl)phosphonate | | Authors: | Rengachari, S, Aschauer, P, Gruber, K, Dreveny, I, Oberer, M. | | Deposit date: | 2013-04-25 | | Release date: | 2013-09-18 | | Last modified: | 2013-11-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Conformational plasticity and ligand binding of bacterial monoacylglycerol lipase.
J.Biol.Chem., 288, 2013
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4F0X
 | | Crystal structure of human Malonyl-CoA Decarboxylase (Peroxisomal Isoform) | | Descriptor: | Malonyl-CoA decarboxylase, mitochondrial, N~3~-[(2R)-2-hydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-beta-alaninamide | | Authors: | Aparicio, D, Perez, R, Fita, I. | | Deposit date: | 2012-05-05 | | Release date: | 2013-03-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | Structural Asymmetry and Disulfide Bridges among Subunits Modulate the Activity of Human Malonyl-CoA Decarboxylase.
J.Biol.Chem., 288, 2013
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1R6W
 | | Crystal structure of the K133R mutant of o-Succinylbenzoate synthase (OSBS) from Escherichia coli. Complex with SHCHC | | Descriptor: | 2-(3-CARBOXYPROPIONYL)-6-HYDROXY-CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID, MAGNESIUM ION, o-Succinylbenzoate Synthase | | Authors: | Klenchin, V.A, Taylor Ringia, E.A, Gerlt, J.A, Rayment, I. | | Deposit date: | 2003-10-17 | | Release date: | 2003-11-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Evolution of Enzymatic Activity in the Enolase Superfamily: Structural and Mutagenic Studies of the Mechanism of the Reaction Catalyzed by o-Succinylbenzoate Synthase from Escherichia coli
Biochemistry, 42, 2003
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6KYD
 | | Structure of the R217A mutant of Clostridium difficile sortase B | | Descriptor: | Putative peptidase C60B, sortase B | | Authors: | Kang, C.Y, Huang, I.H, Wu, T.Y, Chang, J.C, Hsiao, Y.Y, Cheng, C.H, Tsai, W.J, Hsu, K.C, Wang, S.Y. | | Deposit date: | 2019-09-18 | | Release date: | 2020-02-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Functional analysis ofClostridium difficilesortase B reveals key residues for catalytic activity and substrate specificity.
J.Biol.Chem., 295, 2020
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3PTF
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4L1H
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5KZQ
 | | Metabotropic Glutamate Receptor in complex with antagonist (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid | | Descriptor: | (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2 | | Authors: | Chappell, M.D, Li, R, Smith, S.C, Dressman, B.A, Tromiczak, E.G, Tripp, A.E, Blanco, M.-J, Vetman, T, Quimby, S.J, Matt, J, Britton, T, Fivush, A.M, Schkeryantz, J.M, Mayhugh, D, Erickson, J.A, Bures, M, Jaramillo, C, Carpintero, M, de Diego, J.E, Barberis, M, Garcia-Cerrada, S, Soriano, J.F, Antonysamy, S, Atwell, S, MacEwan, I, Condon, B, Bradley, C, Wang, J, Zhang, A, Conners, K, Groshong, C, Wasserman, S.R, Koss, J.W, Witkin, J.M, Li, X, Overshiner, C, Wafford, K.A, Seidel, W, Wang, X.-S, Heinz, B.A, Swanson, S, Catlow, J, Bedwell, D, Monn, J.A, Mitch, C.H, Ornstein, P. | | Deposit date: | 2016-07-25 | | Release date: | 2016-12-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity.
J. Med. Chem., 59, 2016
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8BBM
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1W0E
 | | Crystal structure of human cytochrome P450 3A4 | | Descriptor: | CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Williams, P.A, Cosme, J, Vinkovic, D.M, Ward, A, Angove, H.C, Day, P.J, Vonrhein, C, Tickle, I.J, Jhoti, H. | | Deposit date: | 2004-06-03 | | Release date: | 2004-07-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone
Science, 305, 2004
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4KZ6
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 13 ((2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid) | | Descriptor: | (2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | Deposit date: | 2013-05-29 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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5L23
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4KZA
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 48 (3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid) | | Descriptor: | 3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | Deposit date: | 2013-05-29 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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4FHC
 | | Spore photoproduct lyase | | Descriptor: | 1,2-ETHANEDIOL, IRON/SULFUR CLUSTER, SULFATE ION, ... | | Authors: | Benjdia, A, Heil, K, Barends, T.R.M, Carell, T, Schlichting, I. | | Deposit date: | 2012-06-06 | | Release date: | 2012-07-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into recognition and repair of UV-DNA damage by Spore Photoproduct Lyase, a radical SAM enzyme.
Nucleic Acids Res., 40, 2012
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