6N25
 
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8CCT
 | | Crystal structure of the human PXR ligand-binding domain in complex with 2,2'-dichloro bisphenol A | | Descriptor: | 2-chloranyl-4-[2-(3-chloranyl-4-oxidanyl-phenyl)propan-2-yl]phenol, Nuclear receptor subfamily 1 group I member 2 | | Authors: | Derosa, Q, Grimaldi, M, Carivenc, C, Boulahtouf, A, Bourguet, W, Balaguer, P. | | Deposit date: | 2023-01-27 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of the hPXR-LBD in complex with 2,2'-dichloro bisphenol A
To Be Published
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5J5H
 | | X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 6-(2-methoxyphenyl)-N4,N4-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(2-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine, Acetylcholine-binding protein, ... | | Authors: | Kaczanowska, K, Harel, M, Camacho Hernandez, A.G, Taylor, P. | | Deposit date: | 2016-04-02 | | Release date: | 2017-03-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Substituted 2-Aminopyrimidines Selective for alpha 7-Nicotinic Acetylcholine Receptor Activation and Association with Acetylcholine Binding Proteins.
J. Am. Chem. Soc., 139, 2017
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1NS9
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5J5I
 | | X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol, Acetylcholine-binding protein, ... | | Authors: | Kaczanowska, K, Harel, M, Camacho Hernandez, G.A, Taylor, P. | | Deposit date: | 2016-04-02 | | Release date: | 2017-03-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.326 Å) | | Cite: | Substituted 2-Aminopyrimidines Selective for alpha 7-Nicotinic Acetylcholine Receptor Activation and Association with Acetylcholine Binding Proteins.
J. Am. Chem. Soc., 139, 2017
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6NBB
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6CPP
 | | CRYSTAL STRUCTURES OF CYTOCHROME P450-CAM COMPLEXED WITH CAMPHANE, THIOCAMPHOR, AND ADAMANTANE: FACTORS CONTROLLING P450 SUBSTRATE HYDROXYLATION | | Descriptor: | CAMPHANE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Raag, R, Poulos, T.L. | | Deposit date: | 1990-05-18 | | Release date: | 1991-07-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of cytochrome P-450CAM complexed with camphane, thiocamphor, and adamantane: factors controlling P-450 substrate hydroxylation.
Biochemistry, 30, 1991
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1JLH
 | | Human Glucose-6-phosphate Isomerase | | Descriptor: | phosphoglucose isomerase | | Authors: | Cordeiro, A.T. | | Deposit date: | 2001-07-16 | | Release date: | 2003-02-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of human phosphoglucose isomerase and analysis of the initial catalytic steps
BIOCHIM.BIOPHYS.ACTA, 1645, 2003
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1DP8
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2OKO
 | | Z. mobilis tRNA guanine transglycosylase E235Q mutant apo-structure at pH 5.5 | | Descriptor: | GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION | | Authors: | Tidten, N. | | Deposit date: | 2007-01-17 | | Release date: | 2007-10-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Glutamate versus Glutamine Exchange Swaps Substrate Selectivity in tRNA-Guanine Transglycosylase: Insight into the Regulation of Substrate Selectivity by Kinetic and Crystallographic Studies.
J.Mol.Biol., 374, 2007
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6MM9
 | | Diheteromeric NMDA receptor GluN1/GluN2A in the '1-Knuckle' conformation, in complex with glycine and glutamate, in the presence of 1 micromolar zinc chloride, and at pH 6.1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, NMDA 1, ... | | Authors: | Jalali-Yazdi, F, Chowdhury, S, Yoshioka, C, Gouaux, E. | | Deposit date: | 2018-09-29 | | Release date: | 2018-11-28 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (5.97 Å) | | Cite: | Mechanisms for Zinc and Proton Inhibition of the GluN1/GluN2A NMDA Receptor.
Cell, 175, 2018
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6MMU
 | | Triheteromeric NMDA receptor GluN1/GluN2A/GluN2A* in the '2-Knuckle-Asymmetric' conformation, in complex with glycine and glutamate, in the presence of 1 micromolar zinc chloride, and at pH 7.4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ... | | Authors: | Jalali-Yazdi, F, Chowdhury, S, Yoshioka, C, Gouaux, E. | | Deposit date: | 2018-10-01 | | Release date: | 2018-11-28 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (5.3 Å) | | Cite: | Mechanisms for Zinc and Proton Inhibition of the GluN1/GluN2A NMDA Receptor.
Cell, 175, 2018
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4P3N
 | | Structural Basis for Full-Spectrum Inhibition of Threonyl-tRNA Synthetase by Borrelidin 1 | | Descriptor: | (1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid, Threonine--tRNA ligase, cytoplasmic, ... | | Authors: | Fang, P, Yu, X, Chen, K, Chen, X, Guo, M. | | Deposit date: | 2014-03-09 | | Release date: | 2015-03-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for full-spectrum inhibition of translational functions on a tRNA synthetase.
Nat Commun, 6, 2015
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3JQK
 | | Crystal structure of the molybdenum cofactor biosynthesis protein C (TTHA1789) from Thermus Theromophilus HB8 (H32 FORM) | | Descriptor: | ACETATE ION, Molybdenum cofactor biosynthesis protein C, PHOSPHATE ION | | Authors: | Kanaujia, S.P, Jeyakanthan, J, Nakagawa, N, Sekar, K, Baba, S, Chen, L, Liu, Z.-J, Wang, B.-C, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2009-09-07 | | Release date: | 2010-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structures of apo and GTP-bound molybdenum cofactor biosynthesis protein MoaC from Thermus thermophilus HB8
Acta Crystallogr.,Sect.D, 66, 2010
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5J5F
 | | X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with N4,N4-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, DIMETHYL SULFOXIDE, ... | | Authors: | Kaczanowska, K, Camacho Hernandez, G.A, Harel, M, Taylor, P. | | Deposit date: | 2016-04-02 | | Release date: | 2017-03-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Substituted 2-Aminopyrimidines Selective for alpha 7-Nicotinic Acetylcholine Receptor Activation and Association with Acetylcholine Binding Proteins.
J. Am. Chem. Soc., 139, 2017
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4UC1
 | | High resolution crystal structure of translocator protein 18kDa (TSPO) from Rhodobacter sphaeroides (A139T Mutant) in C2 space group | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (11Z)-octadec-11-enoate, METHOXY-ETHOXYL, ... | | Authors: | Li, F, Liu, J, Zheng, Y, Garavito, R.M, Ferguson-Miller, S. | | Deposit date: | 2014-08-13 | | Release date: | 2015-02-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of translocator protein (TSPO) and mutant mimic of a human polymorphism.
Science, 347, 2015
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2JEM
 | | Native family 12 xyloglucanase from Bacillus licheniformis | | Descriptor: | ENDO-BETA-1,4-GLUCANASE | | Authors: | Gloster, T.M, Ibatullin, F.M, Macauley, K, Eklof, J.M, Roberts, S, Turkenburg, J.P, Bjornvad, M.E, Jorgensen, P.L, Danielsen, S, Johansen, K.S, Borchert, T.V, Wilson, K.S, Brumer, H, Davies, G.J. | | Deposit date: | 2007-01-18 | | Release date: | 2007-03-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Characterization and Three-Dimensional Structures of Two Distinct Bacterial Xyloglucanases from Families Gh5 and Gh12.
J.Biol.Chem., 282, 2007
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6NQ1
 | | Cryo-EM structure of human TPC2 channel in the apo state | | Descriptor: | Two pore calcium channel protein 2 | | Authors: | She, J, Zeng, W, Guo, J, Chen, Q, Bai, X, Jiang, Y. | | Deposit date: | 2019-01-18 | | Release date: | 2019-03-27 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural mechanisms of phospholipid activation of the human TPC2 channel.
Elife, 8, 2019
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5AGE
 | | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A BENZOMORPHOLINONE LIGAND | | Descriptor: | 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-7-[4-(1-methylpiperidin-4-yl)butyl]-2H-1,4-benzoxazin-3(4H)-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | | Authors: | Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H. | | Deposit date: | 2015-01-29 | | Release date: | 2015-10-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.
Chemmedchem, 10, 2015
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7YWC
 | | Enzyme of biosynthetic pathway | | Descriptor: | (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid, Chorismate dehydratase, GLYCEROL | | Authors: | Archna, A, Breithaupt, C, Stubbs, M.T. | | Deposit date: | 2022-02-12 | | Release date: | 2022-10-26 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.917 Å) | | Cite: | Mechanism of chorismate dehydratase MqnA, the first enzyme of the futalosine pathway, proceeds via substrate-assisted catalysis.
J.Biol.Chem., 298, 2022
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2WD8
 | | PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH NADP AND DDD00071204 | | Descriptor: | 1-(3,4-DICHLOROBENZYL)-7-PHENYL-1H-BENZIMIDAZOL-2-AMINE, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Robinson, D.A, Wyatt, P.G, Spinks, D, Brenk, R. | | Deposit date: | 2009-03-20 | | Release date: | 2009-06-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | One Scaffold, Three Binding Modes: Novel and Selective Pteridine Reductase 1 Inhibitors Derived from Fragment Hits Discovered by Virtual Screening.
J.Med.Chem., 52, 2009
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8SW8
 | | Crystal Structure of HaloTag7 bound to JF669-HaloTag ligand | | Descriptor: | 1-[(4aM,10P)-7-(azetidin-1-yl)-10-[2-carboxy-3,4,6-trifluoro-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene]azetidin-1-ium, CHLORIDE ION, Haloalkane dehalogenase | | Authors: | Farrants, H, Schreiter, E.R. | | Deposit date: | 2023-05-17 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A modular chemigenetic calcium indicator for multiplexed in vivo functional imaging
To Be Published
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7D9V
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7D8P
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7D8H
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