2DV0
 
 | | Human Aldose Reductase complexed with zopolrestat after 6 days soaking(6days_soaked_2) | | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Steuber, H, Heine, A, Klebe, G. | | Deposit date: | 2006-07-28 | | Release date: | 2006-10-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Expect the Unexpected or Caveat for Drug Designers: Multiple Structure Determinations Using Aldose Reductase Crystals Treated under Varying Soaking and Co-crystallisation Conditions
J.Mol.Biol., 363, 2006
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4QAC
 | | X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(4-methylpiperidin-1-yl)-6-(4-(trifluoromethyl)phenyl)pyrimidin-2-amine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine, Acetylcholine-binding protein, ... | | Authors: | Kaczanowska, K, Harel, M, Radic, Z, Changeux, J.-P, Finn, M.G, Taylor, P. | | Deposit date: | 2014-05-03 | | Release date: | 2014-07-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for cooperative interactions of substituted 2-aminopyrimidines with the acetylcholine binding protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
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2DUX
 | | Crystal structure of human Aldose Reductase complexed with zopolrestat after 3 days soaking (3days_soaked_1) | | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Steuber, H, Heine, A, Klebe, G. | | Deposit date: | 2006-07-27 | | Release date: | 2006-10-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Expect the Unexpected or Caveat for Drug Designers: Multiple Structure Determinations Using Aldose Reductase Crystals Treated under Varying Soaking and Co-crystallisation Conditions
J.Mol.Biol., 363, 2006
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2DUZ
 | | Human Aldose Reductase complexed with inhibitor zopolrestat after 3 days soaking (3days_soaked_2) | | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Steuber, H, Heine, A, Klebe, G. | | Deposit date: | 2006-07-27 | | Release date: | 2006-10-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Expect the Unexpected or Caveat for Drug Designers: Multiple Structure Determinations Using Aldose Reductase Crystals Treated under Varying Soaking and Co-crystallisation Conditions
J.Mol.Biol., 363, 2006
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8BJ8
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7CBG
 | | Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an inhibitor | | Descriptor: | (2S,3R)-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide, Threonine--tRNA ligase, ZINC ION | | Authors: | Guo, J, Chen, B, Zhou, H. | | Deposit date: | 2020-06-12 | | Release date: | 2020-10-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-guided optimization and mechanistic study of a class of quinazolinone-threonine hybrids as antibacterial ThrRS inhibitors.
Eur.J.Med.Chem., 207, 2020
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7P6J
 | | Crystal structure of glycosyl-enzyme intermediate of RBcel1 Y201F | | Descriptor: | Endoglucanase, beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... | | Authors: | Collet, L, Dutoit, R. | | Deposit date: | 2021-07-16 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Highlighting the factors governing transglycosylation in the GH5_5 endo-1,4-beta-glucanase RBcel1.
Acta Crystallogr D Struct Biol, 78, 2022
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8BTZ
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2ECU
 | | Crystal structure of flavin reductase component (HpaC) of 4-hydroxyphenylacetate 3-monooxygenase | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, DODECAETHYLENE GLYCOL, flavin reductase (HpaC) of 4-hydroxyphenylacetate 3-monooxygnease | | Authors: | Kim, S.H, Hisano, T, Iwasaki, W, Ebihara, A, Miki, K. | | Deposit date: | 2007-02-14 | | Release date: | 2008-01-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of the flavin reductase component (HpaC) of 4-hydroxyphenylacetate 3-monooxygenase from Thermus thermophilus HB8: Structural basis for the flavin affinity
Proteins, 70, 2008
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4EDJ
 | | Crystal structure of the GRASP55 GRASP Domain with a phosphomimetic mutation (S189D) | | Descriptor: | Golgi reassembly-stacking protein 2, POTASSIUM ION | | Authors: | Truschel, S.T, Zhang, M, Bachert, C, Macbeth, M.R, Linstedt, A.D. | | Deposit date: | 2012-03-27 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Allosteric Regulation of GRASP Protein-dependent Golgi Membrane Tethering by Mitotic Phosphorylation.
J.Biol.Chem., 287, 2012
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8B6F
 | | Cryo-EM structure of NADH:ubiquinone oxidoreductase (complex-I) from respiratory supercomplex of Tetrahymena thermophila | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2 iron, ... | | Authors: | Muhleip, A, Kock Flygaard, R, Amunts, A. | | Deposit date: | 2022-09-27 | | Release date: | 2023-03-29 | | Last modified: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis of mitochondrial membrane bending by the I-II-III 2 -IV 2 supercomplex.
Nature, 615, 2023
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5X6F
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4U1Z
 | | GluA2flip sLBD complexed with kainate and (R,R)-2b crystal form D | | Descriptor: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 2,Glutamate receptor 2, N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dipropane-2-sulfonamide | | Authors: | Chen, L, Gouaux, E. | | Deposit date: | 2014-07-16 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9401 Å) | | Cite: | Structure and Dynamics of AMPA Receptor GluA2 in Resting, Pre-Open, and Desensitized States.
Cell, 158, 2014
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4U21
 | | GluA2flip sLBD complexed with FW and (R,R)-2b crystal form E | | Descriptor: | 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, Glutamate receptor 2,Glutamate receptor 2, N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dipropane-2-sulfonamide | | Authors: | Chen, L, Gouaux, E. | | Deposit date: | 2014-07-16 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.3908 Å) | | Cite: | Structure and Dynamics of AMPA Receptor GluA2 in Resting, Pre-Open, and Desensitized States.
Cell, 158, 2014
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4U22
 | | GluA2flip sLBD complexed with FW and (R,R)-2b crystal form D | | Descriptor: | 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, Glutamate receptor 2, N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dipropane-2-sulfonamide | | Authors: | Chen, L, Gouaux, E. | | Deposit date: | 2014-07-16 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.4409 Å) | | Cite: | Structure and Dynamics of AMPA Receptor GluA2 in Resting, Pre-Open, and Desensitized States.
Cell, 158, 2014
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4U23
 | | GluA2flip sLBD complexed with FW and (R,R)-2b crystal form F | | Descriptor: | 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, Glutamate receptor 2,Glutamate receptor 2, N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dipropane-2-sulfonamide | | Authors: | Chen, L, Gouaux, E. | | Deposit date: | 2014-07-16 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6734 Å) | | Cite: | Structure and Dynamics of AMPA Receptor GluA2 in Resting, Pre-Open, and Desensitized States.
Cell, 158, 2014
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4U1O
 | | GluA2flip sLBD complexed with kainate and (R,R)-2b crystal form C | | Descriptor: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 2, N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dipropane-2-sulfonamide | | Authors: | Chen, L, Gouaux, E. | | Deposit date: | 2014-07-15 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8501 Å) | | Cite: | Structure and Dynamics of AMPA Receptor GluA2 in Resting, Pre-Open, and Desensitized States.
Cell, 158, 2014
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6ESY
 | | Human butyrylcholinesterase in complex with thioflavine T | | Descriptor: | 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Nachon, F, Brazzolotto, X, Wandhammer, M, Trovaslet-Leroy, M, Macdonald, I.R, Darvesh, S, Rosenberry, T.L. | | Deposit date: | 2017-10-24 | | Release date: | 2017-12-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study.
Molecules, 22, 2017
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7WRD
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7WRF
 | | Mouse TRPM8 in lipid nanodiscs in the presence of calcium, icilin and PI(4,5)P2 | | Descriptor: | CALCIUM ION, Icilin, SODIUM ION, ... | | Authors: | Zhao, C, Xie, Y, Guo, J. | | Deposit date: | 2022-01-26 | | Release date: | 2022-06-22 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Structures of a mammalian TRPM8 in closed state.
Nat Commun, 13, 2022
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7WRB
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7WRC
 | | Mouse TRPM8 in LMNG in the presence of calcium, icilin and PI(4,5)P2 | | Descriptor: | CALCIUM ION, Icilin, Transient receptor potential cation channel subfamily M member 8 | | Authors: | Zhao, C, Xie, Y, Guo, J. | | Deposit date: | 2022-01-26 | | Release date: | 2022-06-22 | | Method: | ELECTRON MICROSCOPY (3.21 Å) | | Cite: | Structures of a mammalian TRPM8 in closed state.
Nat Commun, 13, 2022
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7WRE
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5KH3
 | | Crystal structure of fragment (3-(5-Chloro-1,3-benzothiazol-2-yl)propanoic acid) bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | Descriptor: | 3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | | Authors: | Harding, R.J, Dong, A, Ravichandran, M, Ferreira de Freitas, R, Schapira, M, Bountra, C, Edwards, A.M, Santhakumar, V, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-14 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
J. Med. Chem., 60, 2017
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8TAR
 | | APC/C-CDH1-UBE2C-Ubiquitin-CyclinB-NTD | | Descriptor: | Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ... | | Authors: | Bodrug, T, Welsh, K.A, Bolhuis, D.L, Paulakonis, E, Martinez-Chacin, R.C, Liu, B, Pinkin, N, Bonacci, T, Cui, L, Xu, P, Roscow, O, Amann, S.J, Grishkovskaya, I, Emanuele, M.J, Harrison, J.S, Steimel, J.P, Hahn, K.M, Zhang, W, Zhong, E, Haselbach, D, Brown, N.G. | | Deposit date: | 2023-06-27 | | Release date: | 2023-09-27 | | Last modified: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Time-resolved cryo-EM (TR-EM) analysis of substrate polyubiquitination by the RING E3 anaphase-promoting complex/cyclosome (APC/C).
Nat.Struct.Mol.Biol., 30, 2023
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